474	474	937	5:SP3_SP1_SP3	C[5,5]	C[5]	Si[5]	4:4:2:4:	4:4:1:1:	4:4:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2	Si[5](C[5,5]Si[5]2C[5])2	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2{2|Si<4>,2|C<3>,4|C<4>}	Si[5](C[5,5]Si[5]2C[5])2{4|C<3>,4|H<1>,8|C<4>}	106.9255	0.367	2	106.9255	0.135	2	106.9255	0.135	2	106.9255	0.135	2	106.9255	0.135	2	106.5118	0.279	4
474	474	937	5:SP3_SP1_SP3	C[5]	C[5]	Si[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:Si[5]-2:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	Si[5](C[5]C[5]Si2)2{4|H<1>}	106.0980	0.137	2	106.0980	0.019	2	106.0980	0.019	2	106.0980	0.019	2	106.0980	0.019	2	106.5118	0.279	4
474	474	939	5:SP3_SP2_SP3	C[5]	C[5]	Ge[5]	3:4:4:4:	4:4:1:1:	4:4:2:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Ge-2:	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	Ge[5](C[5]C[5]Si2)2(GeGe[5])	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Ge<2>,2|Si<4>}	Ge[5](C[5]C[5]Si2)2(GeGe[5]){4|H<1>}	99.8310	0.620	4	99.8310	0.385	4	99.8310	0.385	4	100.2180	0.610	6	100.2180	0.610	6	100.2180	0.610	6
474	474	939	5:SP3_SP2_SP3	C[5]	C[5]	Ge[5]	3:4:4:4:	4:4:1:1:	4:4:2:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-2:	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	Ge[5](C[5]C[5]Si2)2(SiGe[5])	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	Ge[5](C[5]C[5]Si2)2(SiGe[5]){4|H<1>}	100.9920	0.311	2	100.9920	0.097	2	100.9920	0.097	2	100.2180	0.610	6	100.2180	0.610	6	100.2180	0.610	6
474	474	940	0:SP3_SP-NON_SP3	C[5]	C[5]	P	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:P-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(PC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	P(C[5]C[5]2H)(CMgC)	C[5](C[5]C[5]HH)2(PC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	P(C[5]C[5]2H)(CMgC)	112.3535	0.330	2	112.3535	0.109	2	112.3535	0.109	2	112.3535	0.109	2	112.3535	0.109	2	112.3535	0.109	2
474	474	941	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,5,6]-4:C[5,5,6]-4:N-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:N-2:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H)	N(C[5,5]C[5,5,6]2H)(NN)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	N(C[5,5]C[5,5,6]2H)(NN)	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	114.6680	6.545	2	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	N	4:4:2:1:	4:4:2:4:	4:2:	C[5,5,6]-4:C[5,5,6]-4:N-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:N-2:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H)	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	N(C[5,5]C[5,5,6]2H)(NN)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	N(C[5,5]C[5,5,6]2H)(NN)	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	114.6680	6.545	2	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,5]	C[5,5]	N	3:4:4:2:	4:3:3:1:	4:2:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	116.5010	0.000	1	116.5010	0.000	1	116.5010	0.000	1	116.5010	0.000	1	115.4955	2.022	2	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,5]	C[5,5]	N	3:4:4:2:	4:3:3:1:	4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	115.4955	2.022	2	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,5]	C[5]	N	3:4:4:2:	4:4:1:1:	4:2:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	110.8865	20.117	2	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,5]	C[5]	N	3:4:4:2:	4:4:1:1:	4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	110.8865	20.117	2	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N	4:4:2:1:	4:4:4:4:	4:2:	C[5,5,6]-4:C[5,6]-4:N-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	N(C[5,6]C[5,5,6]C[5,6]H)(CPd)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CPd)	112.6865	1.759	2	112.6865	3.093	2	112.6865	3.093	2	112.6865	3.093	2	112.6865	3.093	2	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N	3:4:3:2:	4:4:3:4:	4:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3){1|S<4>,3|C<3>}	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	105.5520	0.000	1	105.5520	0.000	1	105.5520	0.000	1	105.5520	0.000	1	111.1048	8.018	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N	3:4:3:2:	4:4:4:4:	4:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<3>}	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.1048	8.018	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N	4:3:2:2:	4:4:3:4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:N-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC)	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3)	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1048	8.018	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[5,5,6]-4:C[5,6]-4:N-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	N(C[5,6]C[5,5,6]C[5,6]H)(CPd)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	N(C[5,6]C[5,5,6]C[5,6]H)(CPd)	113.0975	0.165	2	113.0975	0.027	2	113.0975	0.027	2	113.0975	0.027	2	111.1048	8.018	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N	4:4:2:2:	3:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[5,6]C[5,6]C[6]O[5])(CCC)	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	111.1048	8.018	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	3:4:2:1:	4:2:4:3:	4:2:	C[5,6a]-3:C[5,5]-4:N-2:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H)	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	N(C[5]C[5,6a]C[5,5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	N(C[5]C[5,6a]C[5,5]H)(NN)	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:3:2:1:	3:4:4:2:	4:2:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:N-2:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5])	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	N(C[5]C[5,5]N[5]H)(NN)	110.0075	0.657	2	110.0075	0.432	2	110.0075	0.432	2	110.0075	0.432	2	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:3:2:1:	3:4:4:3:	4:2:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:N-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	N(C[5]C[5,5]N[5]H)(NN)	110.2075	0.554	4	110.2075	0.307	4	110.2075	0.307	4	110.2075	0.307	4	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:3:2:3:	4:3:4:3:	4:3:	C[5,5]-4:C[5]-3:N-2:C-3:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:	C[5](C[5,5]C[5]3)(C[5]C[5]O)(NC[6a])(COO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O)	N(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(NC[6a])(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O){1|O<1>,2|H<1>,5|C<3>}	N(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:3:4:2:	4:2:	C[3,5]-4:C[5,5]-4:N-2:H-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-2:	C[5]-4:N-2:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H)	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5])	N(C[5]C[3,5]C[5,5]H)(NN)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[5]C[3,5]C[5,5]H)(NN)	110.6240	1.120	2	110.6240	1.255	2	110.6240	1.255	2	110.6240	1.255	2	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	N(C[5]C[5,5]C[5]Cl)(O)	110.1540	0.000	1	110.1540	0.000	1	110.6030	0.403	2	110.6030	0.403	2	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	N(C[5]C[5,5]C[5]Cl)(O)	111.0520	0.000	1	111.0520	0.000	1	110.6030	0.403	2	110.6030	0.403	2	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N-2:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){4|C<4>}	N(C[5]C[5,5]C[5]H)(NN)	109.3727	2.086	3	109.3727	4.353	3	109.3727	4.353	3	109.3727	4.353	3	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:4:3:2:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:N-2:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H)	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	N(C[5]C[5,5]C[5]H)(NN)	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:4:4:1:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N-2:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	N(C[5]C[5,5]C[5]H)(NN)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:4:4:2:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:N-2:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H)	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5])	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N(C[5]C[5,5]C[5]H)(NN)	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,5]	N	4:4:2:1:	4:4:4:4:	4:4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:S-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H)	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN)	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H){2|C<4>,8|H<1>}	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN){1|C<4>,7|H<1>}	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.9127	7.235	19	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,6]	N	4:3:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[5]-3:N-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:N-2:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	N(C[5]C[5,6]C[5]H)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N(C[5]C[5,6]C[5]H)(NN)	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	108.7472	21.464	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,6]	N	4:3:2:2:	3:4:4:2:	4:2:	C[5,6]-4:N[5]-3:N-2:N-2:	C[5,6a]-3:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:N-2:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6])	N(C[5]C[5,6]N[5]N)(NN)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N(C[5]C[5,6]N[5]N)(NN)	109.0965	3.886	2	109.0965	15.098	2	109.0965	15.098	2	109.0965	15.098	2	108.7472	21.464	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,6]	N	4:3:4:2:	4:4:2:1:	4:2:	C[5,6]-4:C[5]-3:C-4:N-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:N-2:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	N(C[5]C[5,6]C[5]C)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N(C[5]C[5,6]C[5]C)(NN)	105.1730	0.099	2	105.1730	0.010	2	105.1730	0.010	2	105.1730	0.010	2	108.7472	21.464	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[5]-4:N-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:N-2:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	N(C[5]C[5,6]C[5]H)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N(C[5]C[5,6]C[5]H)(NN)	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	108.7472	21.464	6	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:3:2:2:	4:2:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2	N(C[5]C[5,6a]C[5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2{2|C<3>}	N(C[5]C[5,6a]C[5]H)(NN)	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:4:1:1:	4:2:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	N(C[5]C[5,6a]C[5]H)(CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	N(C[5]C[5,6a]C[5]H)(CO)	111.9670	0.000	1	111.9670	0.000	1	111.9670	0.000	1	111.9670	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:4:2:1:	4:2:	C[5,5a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N-2:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	N(C[5]C[5,5a]C[5]H)(NN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	N(C[5]C[5,5a]C[5]H)(NN)	105.9960	0.000	1	105.9960	0.000	1	105.9960	0.000	1	105.9960	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:4:2:1:	4:3:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	N(C[5]C[5,6a]C[5]H)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	N(C[5]C[5,6a]C[5]H)(CNO)	113.0030	0.000	1	113.0030	0.000	1	111.7320	1.224	3	111.7320	1.224	3	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:4:2:1:	4:3:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	N(C[5]C[5,6a]C[5]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	N(C[5]C[5,6a]C[5]H)(CCH)	110.9840	0.000	1	110.9840	0.000	1	111.7320	1.224	3	111.7320	1.224	3	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:4:2:1:	4:3:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	111.2090	0.000	1	111.2090	0.000	1	111.7320	1.224	3	111.7320	1.224	3	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:4:2:1:	4:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	3:4:2:1:	4:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	N(C[5]C[5,6a]C[5]H)(C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N(C[5]C[5,6a]C[5]H)(C)	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:2:3:2:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:N-2:	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	N(C[5]C[5]O[5]C)(NN)	108.0805	5.824	2	108.0805	33.924	2	108.0805	33.924	2	108.0805	33.924	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:2:3:2:	4:4:2:1:	4:2:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	N(C[5]C[5]O[5]C)(NN)	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:2:4:2:	4:4:2:1:	4:2:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	N(C[5]C[5]O[5]C)(NN)	114.4330	0.000	1	114.4330	0.000	1	114.4330	0.000	1	114.4330	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:2:4:2:	4:4:3:1:	4:2:	C[5]-4:O[5]-2:C-4:N-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N-2:	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H)	N(C[5]C[5]O[5]C)(NC)	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	N(C[5]C[5]O[5]C)(NC)	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	3:4:4:1:	4:2:	C[5]-4:C[5]-3:N-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	N(C[5]C[5]2H)(NN)	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N(C[5]C[5]2H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N(C[5]C[5]2H)(COO)	115.0960	0.000	1	115.0960	0.000	1	115.0960	0.000	1	115.0960	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N(C[5]C[5]2H)(CC[6a]HH)	113.9860	0.000	1	113.9860	0.000	1	113.9860	0.000	1	113.9860	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-3:N-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2	N(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	4:4:1:1:	4:2:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|H<1>,2|C<3>}	N(C[5]C[5]N[5]H)(NN)	105.5710	0.000	1	108.1055	4.425	4	108.1055	4.425	4	108.1055	4.425	4	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	4:4:1:1:	4:2:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,1|H<1>,1|N<2>}	N(C[5]C[5]N[5]H)(NN)	109.8220	0.389	2	108.1055	4.425	4	108.1055	4.425	4	108.1055	4.425	4	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	4:4:1:1:	4:2:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	N(C[5]C[5]N[5]H)(NN)	107.2070	0.000	1	108.1055	4.425	4	108.1055	4.425	4	108.1055	4.425	4	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	N(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	N(C[5]C[5]2H)(COO)	116.2180	0.000	1	116.2180	0.000	1	116.2180	0.000	1	116.2180	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:3:2:	4:4:1:1:	4:3:	C[5]-4:N[5]-3:N-3:N-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC)	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2	N(C[5]C[5]N[5]N)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2{1|C<4>,1|O<1>}	N(C[5]C[5]N[5]N)(CCO)	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:2:	3:4:1:1:	4:2:	C[5]-4:C[5]-3:C-4:N-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	N(C[5]C[5]2C)(NN)	107.4520	0.000	1	107.4520	0.000	1	106.4710	1.925	2	106.4710	1.925	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:3:4:2:	3:4:1:1:	4:2:	C[5]-4:C[5]-3:C-4:N-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	N(C[5]C[5]2C)(NN)	105.4900	0.000	1	105.4900	0.000	1	106.4710	1.925	2	106.4710	1.925	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	N(C[5]C[5]2H)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	N(C[5]C[5]2H)(COO)	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(H)2	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	N(C[5]C[5]2H)(SC[6a]OO)	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl)	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	N(C[5]C[5,5]C[5]Cl)(O)	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.0020	0.713	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	N(C[5]C[5]2H)(C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	N(C[5]C[5]2H)(C)	109.4050	0.000	1	109.4050	0.000	1	109.4050	0.000	1	110.0020	0.713	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:2:4:1:	4:2:	C[5,6]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	N(C[5]C[5,6]C[5]H)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	N(C[5]C[5,6]C[5]H)(NN)	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	113.1415	10.247	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:2:4:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	N(C[5]C[5]2H)(NN)	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	113.1415	10.247	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:2:4:4:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:N-2:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	N(C[5]C[5,5]C[5]H)(NN)	113.4040	1.754	3	113.4040	3.076	3	113.4040	3.076	3	113.4040	3.076	3	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:3:1:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	N(C[5]C[5]2H)(NN)	108.0950	2.737	2	108.1557	3.755	3	108.1557	3.755	3	108.1557	3.755	3	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:3:1:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	N(C[5]C[5]2H)(NN)	108.2770	0.000	1	108.1557	3.755	3	108.1557	3.755	3	108.1557	3.755	3	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2	N(C[5]C[5]2H)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2{1|C<3>,1|H<1>}	N(C[5]C[5]2H)(COO)	113.0330	0.000	1	113.0330	0.000	1	113.0330	0.000	1	114.3450	3.443	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S-3:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	N(C[5]C[5]2H)(SCO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	N(C[5]C[5]2H)(SCO)	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	114.3450	3.443	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:P-4:	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H)	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2	N(C[5]C[5]2H)(PRuCC)	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H){1|H<1>,1|P<3>}	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2{1|Ru<9>,1|C<4>,1|H<1>}	N(C[5]C[5]2H)(PRuCC)	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:3:4:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	N(C[5]C[5]2H)(NN)	107.5030	3.418	2	107.5030	11.684	2	107.5030	11.684	2	107.5030	11.684	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H)	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	N(C[5]C[5]2H)(C)	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	N(C[5]C[5]2H)(NN)	112.3612	3.483	12	112.3612	12.133	12	112.0809	10.683	16	112.0809	10.683	16	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	N(C[5]C[5]2H)(NN)	112.2500	2.377	2	112.2500	5.652	2	112.0809	10.683	16	112.0809	10.683	16	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	N(C[5]C[5]2H)(NN)	112.8070	0.000	1	112.8070	0.000	1	112.0809	10.683	16	112.0809	10.683	16	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	N(C[5]C[5]2H)(NN)	107.6530	0.000	1	107.6530	0.000	1	112.0809	10.683	16	112.0809	10.683	16	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	N(C[5]C[5]2H)(CC[6a]H)	113.8446	0.758	5	113.8446	0.575	5	113.0934	3.253	7	113.0934	3.253	7	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	N(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{2|H<1>,2|O<2>}	N(C[5]C[5]2H)(CCO)	113.1320	0.000	1	113.1320	0.000	1	113.0934	3.253	7	113.0934	3.253	7	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)2(NC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	N(C[5]C[5]2H)(CC[6a]H)	109.2990	0.000	1	109.2990	0.000	1	113.0934	3.253	7	113.0934	3.253	7	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)2(NS)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)	115.9480	0.000	1	115.9480	0.000	1	114.2800	5.564	2	114.2800	5.564	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)2(NS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	N(C[5]C[5]2H)(SC[6a]OO)	112.6120	0.000	1	112.6120	0.000	1	114.2800	5.564	2	114.2800	5.564	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl)	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	N(C[5]C[5,5]C[5]Cl)(O)	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:2:	C[3,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N-2:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	N(C[5]C[3,5]C[5]H)(NN)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[3,5]C[5]H)(NN)	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	111.9822	11.139	17	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N-2:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	N(C[5]C[5,5]C[5]H)(NN)	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.9822	11.139	17	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N-2:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N(C[5]C[5,5]C[5]H)(NN)	117.2380	0.000	1	117.2380	0.000	1	117.2380	0.000	1	111.9822	11.139	17	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5]2H)(NN)	111.8509	3.000	12	111.8509	8.998	12	111.8509	8.998	12	111.9822	11.139	17	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	N(C[5]C[5]2H)(NN)	111.5900	6.579	2	111.5900	43.282	2	111.5900	43.282	2	111.9822	11.139	17	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	N(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	N(C[5]C[5]2H)(CC[6a]H)	109.8107	1.064	6	109.8107	1.133	6	109.8107	1.133	6	110.3066	2.665	7	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	N(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	N(C[5]C[5]2H)(CCO)	113.2820	0.000	1	113.2820	0.000	1	113.2820	0.000	1	110.3066	2.665	7	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	N(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	N(C[5]C[5]2H)(CC[6a]HH)	116.6560	0.000	1	116.6560	0.000	1	116.6560	0.000	1	116.6560	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:3:1:	4:2:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N-2:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<2>,1|O<2>,2|C<4>}	N(C[5]C[5,5]C[5]H)(NN)	114.5930	0.000	1	114.5930	0.000	1	114.5930	0.000	1	114.5930	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:S-3:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H)	N(C[5]C[5]2H)(SCO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	N(C[5]C[5]2H)(SCO)	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:4:1:	3:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[6,6]-3:C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H)	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H){4|H<1>}	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H)	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	112.1290	0.000	1	112.1290	0.000	1	112.1290	0.000	1	112.1290	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:2:1:	4:4:4:2:	4:4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	N(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	N(C[5]C[5]2H)(CC[6a]HH)	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:3:2:	3:4:1:1:	4:3:	C[5]-4:C[5]-4:C-3:N-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]HH)2(CNO)(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	N(C[5]C[5]2C)(CC[5]O)	C[5](C[5]C[5,6a]HH)2(CNO)(NC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	N(C[5]C[5]2C)(CC[5]O)	109.0940	2.874	2	109.0940	8.258	2	109.0940	8.258	2	109.0940	8.258	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:3:2:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC)	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2	N(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	N(C[5]C[5]2C)(COO)	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(CC[6a]O)(NC)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	N(C[5]C[5]2C)(COO)	C[5](C[5]C[5]HH)2(CC[6a]O)(NC){4|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	N(C[5]C[5]2C)(COO)	110.0005	0.233	2	110.0005	0.054	2	110.0005	0.054	2	110.0005	0.054	2	111.6665	9.467	107	111.5222	9.823	146
474	474	941	0:SP3_SP2_SP3	C[5]	C[5]	N	4:4:3:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H)	N(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	N(C[5]C[5]2C)(COO)	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	111.6665	9.467	107	111.5222	9.823	146
474	474	944	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	I	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:I-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	I(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I){1|C<3>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|I<1>,2|C<3>,4|C<4>,8|H<1>}	I(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	111.1805	0.200	2	111.1805	0.040	2	111.1805	0.040	2	115.3858	23.598	4	115.3858	23.598	4	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	I	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:I-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:I-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I)	I(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I){1|C<3>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I){1|C<3>,4|C<4>,5|H<1>}	I(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	119.5910	0.137	2	119.5910	0.019	2	119.5910	0.019	2	115.3858	23.598	4	115.3858	23.598	4	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	I	4:4:4:1:	4:4:3:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:I-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H)	I(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H){1|I<1>,3|C<4>,5|H<1>}	I(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	108.5365	0.435	2	108.5365	0.189	2	108.5365	0.189	2	108.5365	0.189	2	108.5365	0.189	2	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	I	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H)	I(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	I(C[5,5]C[5,5,6]2H)	115.0260	0.547	2	115.0260	0.300	2	115.0260	0.300	2	115.0260	0.300	2	113.7918	2.142	4	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	I	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:I-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I)	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H)	I(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I){10|H<1>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	I(C[5,5]C[5,5,6]2C[6a])	112.5575	0.180	2	112.5575	0.033	2	112.5575	0.033	2	112.5575	0.033	2	113.7918	2.142	4	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	I	4:4:4:1:	3:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	I(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	I(C[5,6,6]C[5,6,6]C[5,6]C[6])	113.7891	0.757	16	113.7891	0.573	16	113.7891	0.573	16	113.7891	0.573	16	113.7891	0.573	16	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	I	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	I(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	I(C[5,6,6]C[5,6,6]C[5,6]C[6])	113.2682	0.818	16	113.2682	0.669	16	113.2682	0.669	16	113.2682	0.669	16	113.2682	0.669	16	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	I(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<2>,1|C<4>,1|O<1>,3|H<1>}	I(C[5,6]C[5,5,6]2H)	112.1530	0.000	1	112.1530	0.000	1	112.0830	0.010	2	112.1440	3.211	6	111.9646	2.206	9	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	I(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	I(C[5,6]C[5,5,6]2H)	112.0130	0.000	1	112.0130	0.000	1	112.0830	0.010	2	112.1440	3.211	6	111.9646	2.206	9	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H)	I(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	I(C[5,6]C[5,5,6]2H)	111.9240	0.000	1	111.9240	0.000	1	111.9240	0.000	1	112.1440	3.211	6	111.9646	2.206	9	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H)	I(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I){2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	110.6435	0.556	2	110.6435	0.310	2	110.6435	0.310	2	112.1440	3.211	6	111.9646	2.206	9	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H)	I(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,3|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	112.1440	3.211	6	111.9646	2.206	9	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	I	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H)	I(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	I(C[5,6]C[5,5,6]2H)	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	111.6057	0.505	3	111.9646	2.206	9	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	I	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H)	I(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H){1|C<2>,4|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	111.9855	0.381	2	111.9855	0.145	2	111.9855	0.145	2	111.6057	0.505	3	111.9646	2.206	9	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	I	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2	I(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	112.8345	0.657	2	112.8345	0.432	2	112.8345	0.432	2	112.8345	0.432	2	115.1749	3.690	7	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H)	I(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H){1|C<4>,5|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	115.2560	0.270	2	115.2560	0.073	2	115.2560	0.073	2	115.2560	0.073	2	115.1749	3.690	7	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	I	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	I(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	I(C[5,6]C[5,6]2H)	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	115.1749	3.690	7	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	I	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H)	I(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H){1|C<3>,1|C<4>,2|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	115.9600	0.742	2	115.1749	3.690	7	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	I	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	I(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	I(C[5,6]C[5,6]2H)	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	115.9600	0.742	2	115.1749	3.690	7	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5,5]	I	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H)	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	I(C[5]C[5,5]C[5]H)	115.6885	0.463	2	115.6885	0.215	2	115.6885	0.215	2	115.6885	0.215	2	114.3228	1.821	5	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5,5]	I	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	I(C[5]C[5,5]C[5]H)	112.6770	0.000	1	112.6770	0.000	1	112.6770	0.000	1	113.4123	0.426	3	114.3228	1.821	5	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5,5]	I	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	I(C[5]C[5,5]C[5]H)	113.6360	0.000	1	113.6360	0.000	1	113.7800	0.041	2	113.4123	0.426	3	114.3228	1.821	5	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5,5]	I	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	I(C[5]C[5,5]C[5]H)	113.9240	0.000	1	113.9240	0.000	1	113.7800	0.041	2	113.4123	0.426	3	114.3228	1.821	5	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5,6]	I	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:I-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3)	I(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	I(C[5]C[5,6]C[5]H)	117.7885	0.668	4	117.7885	0.446	4	117.7885	0.446	4	117.7885	0.446	4	117.7885	0.446	4	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:I-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2	I(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	I(C[5]C[5]2I)	112.7445	1.515	2	112.7445	2.296	2	112.7445	2.296	2	112.7445	2.296	2	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2	I(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2{1|N<3>,2|C<3>,2|H<1>}	I(C[5]C[5]2H)	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC)	I(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC){2|C<3>,6|H<1>}	I(C[5]C[5]2H)	115.6900	0.000	1	115.6900	0.000	1	115.6900	0.000	1	115.6900	0.000	1	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H)	I(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H){2|C<3>,3|H<1>}	I(C[5]C[5]2H)	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	I(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I){1|H<1>,1|N<3>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	I(C[5]C[5]2H)	112.1540	0.000	1	112.1540	0.000	1	113.7833	2.316	3	113.7833	2.316	3	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	I(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	I(C[5]C[5]2H)	114.0280	0.000	1	114.5980	0.650	2	113.7833	2.316	3	113.7833	2.316	3	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	I(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	I(C[5]C[5]2H)	115.1680	0.000	1	114.5980	0.650	2	113.7833	2.316	3	113.7833	2.316	3	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I)	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2	I(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	I(C[5]C[5]2H)	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H)	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	I(C[5]C[5,5]C[5]H)	115.5850	0.000	1	115.5850	0.000	1	114.2330	3.656	2	113.7103	2.647	3	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H)	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H){1|H<1>,2|C<4>}	I(C[5]C[5,5]C[5]H)	112.8810	0.000	1	112.8810	0.000	1	114.2330	3.656	2	113.7103	2.647	3	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	I(C[5]C[5,5]C[5]H)	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	113.7103	2.647	3	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	I(C[5]C[5,5]C[5]H)	110.6360	0.000	1	111.7625	2.538	2	111.7625	2.538	2	114.1618	6.743	9	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	I(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	I(C[5]C[5,5]C[5]H)	112.8890	0.000	1	111.7625	2.538	2	111.7625	2.538	2	114.1618	6.743	9	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2	I(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2{1|H<1>,3|C<4>}	I(C[5]C[5,6]C[5]H)	116.5510	1.494	4	116.5510	2.233	4	116.5510	2.233	4	114.1618	6.743	9	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2	I(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2{1|C<4>,2|C<3>,2|H<1>}	I(C[5]C[5]2H)	111.8940	0.000	1	111.8940	0.000	1	112.5757	1.406	3	114.1618	6.743	9	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2	I(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2{1|C<4>,1|H<1>,2|C<3>}	I(C[5]C[5]2H)	111.8880	0.000	1	111.8880	0.000	1	112.5757	1.406	3	114.1618	6.743	9	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2	I(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I){2|C<3>,2|H<1>}	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	I(C[5]C[5]2H)	113.9450	0.000	1	113.9450	0.000	1	112.5757	1.406	3	114.1618	6.743	9	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	I(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	I(C[5]C[5]2H)	113.7630	0.000	1	113.7630	0.000	1	113.7940	0.002	2	113.7940	0.002	2	113.9856	3.931	23	113.8338	4.609	90
474	474	944	0:SP3_SP-NON_SP3	C[5]	C[5]	I	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	I(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	I(C[5]C[5]2H)	113.8250	0.000	1	113.8250	0.000	1	113.7940	0.002	2	113.7940	0.002	2	113.9856	3.931	23	113.8338	4.609	90
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	P	4:4:3:1:	3:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	112.5895	0.069	2	112.5895	0.005	2	112.5895	0.005	2	112.5895	0.005	2	115.4673	71.457	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	P	4:4:3:1:	3:4:2:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	111.2110	0.702	3	111.2110	0.493	3	111.2110	0.493	3	111.2110	0.493	3	115.4673	71.457	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	P	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<3>,4|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	115.1050	0.000	1	124.7295	185.262	2	124.7295	185.262	2	124.7295	185.262	2	115.4673	71.457	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	P	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	134.3540	0.000	1	124.7295	185.262	2	124.7295	185.262	2	124.7295	185.262	2	115.4673	71.457	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,6]	P	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,3|C<3>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	111.4830	0.911	2	111.4830	0.829	2	110.7964	2.083	5	110.7964	2.083	5	108.8984	14.774	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,6]	P	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	110.3387	1.722	3	110.3387	2.965	3	110.7964	2.083	5	110.7964	2.083	5	108.8984	14.774	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,6]	P	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:B-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H){1|C<4>,5|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	108.8984	14.774	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5,6]	C[5,6]	P	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	101.2150	0.000	1	101.2150	0.000	1	101.2150	0.000	1	101.2150	0.000	1	108.8984	14.774	7	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5]	C[5,5]	P	4:4:3:1:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5]-4:P-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<3>,5|H<1>}	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	114.4123	0.813	4	114.4123	0.661	4	114.4123	0.661	4	114.4123	0.661	4	114.4123	0.661	4	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5]	C[5,6]	P	4:3:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	112.9740	0.170	2	112.9740	0.029	2	112.9740	0.029	2	112.9740	0.029	2	112.9740	0.029	2	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5]	C[5]	P	3:4:3:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2{1|H<2>,6|C<3>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	112.3600	10.080	9	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5]	C[5]	P	3:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:P-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H)	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	112.3600	10.080	9	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5]	C[5]	P	3:4:3:1:	4:4:4:4:	4:3:3:	N[5]-3:C[5]-4:P-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2{1|C<3>,2|C<4>}	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	112.3600	10.080	9	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5]	C[5]	P	4:3:3:1:	4:4:1:1:	3:4:4:	C[5]-4:P-3:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	P(C[6a]C[6a]2)(C[5]C[5]2H)2	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<2>,2|H<1>}	P(C[6a]C[6a]2)(C[5]C[5]2H)2	114.3080	7.698	2	114.3080	59.252	2	114.3080	59.252	2	114.3080	59.252	2	112.3600	10.080	9	112.5999	27.408	29
474	474	945	0:SP3_SP3_SP3	C[5]	C[5]	P	4:4:3:1:	4:2:1:1:	4:3:3:	C[5,5]-4:C[5]-4:P-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	112.1662	1.517	4	112.1662	2.302	4	112.1662	2.302	4	112.1662	2.302	4	112.3600	10.080	9	112.5999	27.408	29
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H)	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H)	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H){1|O<1>,5|C<4>}	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H){1|O<1>,5|C<4>}	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	116.2940	0.000	1	116.2940	0.000	1	116.4540	0.051	2	116.4540	0.051	2	115.8793	1.622	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H)	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H)	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	116.6140	0.000	1	116.6140	0.000	1	116.4540	0.051	2	116.4540	0.051	2	115.8793	1.622	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6]-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH)	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){2|O<1>,4|H<1>,5|C<4>}	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]2)	114.2670	0.132	2	114.2670	0.017	2	114.2670	0.017	2	114.2670	0.017	2	115.8793	1.622	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:C-3:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H)	C[3x5,3x6](C[3x5,3x6]C[3,5,5,6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]C[3x5,6,6])	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3,5,5,6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]C[3x5,6,6])	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	116.9170	0.028	2	115.8793	1.622	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:C-3:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<4>,7|H<1>}	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	116.9170	0.028	2	115.8793	1.622	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,4x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,5x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6,6]-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH)	H(C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]2)	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,4x6]-4:C[5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH)	H(C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH){10|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]2)	114.5380	0.000	1	114.5380	0.000	1	114.5380	0.000	1	114.5380	0.000	1	114.5380	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H)	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){2|O<1>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]2)	114.2745	0.108	2	114.2745	0.012	2	114.2745	0.012	2	114.5196	0.198	5	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H)	H(C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H){4|C<4>,4|H<1>}	H(C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]2)	114.5480	0.000	1	114.5480	0.000	1	114.5480	0.000	1	114.5196	0.198	5	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H){1|O<1>,3|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[3x5,3x6]C[3x5,6,6]3)	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	114.5196	0.198	5	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H)	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,3x6])	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|O<1>,4|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,3x6])	115.2770	0.000	1	115.2770	0.000	1	115.2770	0.000	1	114.5196	0.198	5	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:C-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH){3|C<4>,5|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	114.1460	0.000	1	114.1460	0.000	1	114.1460	0.000	1	114.1460	0.000	1	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H)	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	H(C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]C[3x5,6,6])	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]C[3x5,6,6])	117.0590	0.000	1	117.0590	0.000	1	117.0590	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H)	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){2|O<1>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]2)	114.2910	0.081	2	114.2910	0.006	2	114.2910	0.006	2	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	116.8270	0.000	1	116.8270	0.000	1	116.8270	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,4x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]2)	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,4x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H)	H(C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]2)	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]2)	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]2)	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|O<1>,5|C<4>,7|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	114.0880	0.000	1	114.0880	0.000	1	114.1750	0.015	2	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H){1|O<1>,3|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	114.2620	0.000	1	114.2620	0.000	1	114.1750	0.015	2	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x5,3x6]C[3x5,6,6]3)	114.1390	0.000	1	114.1390	0.000	1	114.9933	2.877	6	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){10|H<1>,3|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	115.9505	0.071	2	115.9505	0.005	2	114.9933	2.877	6	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H){2|C<4>,8|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){4|C<4>,7|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	113.8170	0.000	1	113.8170	0.000	1	114.9933	2.877	6	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H){2|C<4>,8|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){2|C<4>,6|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	112.7680	0.000	1	115.0515	10.429	2	114.9933	2.877	6	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H){2|C<4>,8|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	117.3350	0.000	1	115.0515	10.429	2	114.9933	2.877	6	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,3x6])	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|O<1>,4|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,3x6])	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H)	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,6,6])	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,6,6])	115.2010	0.000	1	115.2010	0.000	1	115.2010	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,6,6])	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,6,6])	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	115.0104	1.471	18	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:O-2:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H){1|O<1>,3|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	114.2370	0.000	1	114.2370	0.000	1	114.2370	0.000	1	114.2370	0.000	1	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[3x5,3x6]-4:C[5,5]-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)	H(C[3x5,3x6]C[3x5,6,6]3)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){10|H<1>,3|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH){6|C<4>,8|H<1>}	H(C[3x5,3x6]C[3x5,6,6]3)	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	114.6964	1.695	26	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[4x5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[4x5,6,6]-4:C[5,5,6]-4:C[3x5,3x6]-4:O[5,6]-2:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6])	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,3x6])	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|O<1>,4|C<4>,5|H<1>}	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6]){1|O<1>,4|C<4>,8|H<1>}	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,3x6])	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[4x5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[4x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[5]-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[4x5,6,6](C[4x5,3x6]C[3x5,3x6]C[5,5,6]O[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[5]C[5,6]HH)	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,6,6])	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[4x5,6,6](C[4x5,3x6]C[3x5,3x6]C[5,5,6]O[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[5]C[5,6]HH){5|C<4>,5|H<1>}	H(C[3x5,3x6]C[3x5,6,6]2C[4x5,6,6])	115.2110	0.000	1	115.2110	0.000	1	115.2110	0.000	1	115.2110	0.000	1	115.6447	0.141	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[5,6]-2:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H)	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6])	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H){2|O<2>,3|C<4>,6|H<1>}	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6]){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	115.8610	0.000	1	115.8610	0.000	1	115.8615	0.000	2	115.8615	0.000	2	115.6447	0.141	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[5,6]-2:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H)	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6])	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H){4|C<4>,5|H<1>}	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6]){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	115.8620	0.000	1	115.8620	0.000	1	115.8615	0.000	2	115.8615	0.000	2	115.6447	0.141	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5,6]-4:C[5,5,3x6]-4:C[5,3x6]-4:H-1:	C[4,3x5,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H)	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H)	H(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]C[5,3x6])	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]C[5,3x6])	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	115.8720	0.000	1	115.8720	0.000	1	115.8850	0.000	2	115.8850	0.000	2	115.8850	0.000	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H){4|C<4>,5|H<1>}	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){2|C<4>,3|O<2>,5|H<1>}	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	115.8980	0.000	1	115.8980	0.000	1	115.8850	0.000	2	115.8850	0.000	2	115.8850	0.000	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:O[5,6]-2:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H)	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H){4|C<4>,5|H<1>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.6777	0.097	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5,6]-4:C[5,5,3x6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H)	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H)	H(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]C[5,3x6])	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]C[5,3x6])	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.5780	0.135	2	115.6777	0.097	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	H(C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]C[5,4x6])	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.5780	0.135	2	115.6777	0.097	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H){1|C<3>,2|H<1>,5|C<4>}	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){2|O<1>,4|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	116.9900	0.109	2	116.9900	0.012	2	116.9900	0.012	2	117.1246	0.043	5	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H)	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H){4|C<4>,4|H<1>}	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	117.0550	0.000	1	117.0550	0.000	1	117.0550	0.000	1	117.1246	0.043	5	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H)	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|O<1>,4|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1246	0.043	5	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	117.1246	0.043	5	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){2|O<1>,4|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.3400	0.006	2	115.3400	0.000	2	115.3400	0.000	2	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[4x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H)	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,4x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,3x6](C[4x5,3x6]C[4x5,6,6]C[5,5,6]O[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|O<1>,4|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6730	0.000	1	115.6730	0.000	1	115.6730	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[4x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3x5,3x6](C[4x5,6,6]C[4x5,3x6]C[5,5]C[5])(C[3x5,6,6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){3|C<4>,3|H<1>,4|C<3>}	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){1|C<4>,3|C<3>,6|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,4x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H)	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H){3|C<3>,4|C<4>,6|H<1>}	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6,6])	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|O<1>,5|C<4>,7|H<1>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.6270	0.000	1	115.6270	0.000	1	115.4985	0.033	2	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.3700	0.000	1	115.3700	0.000	1	115.4985	0.033	2	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]C)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.5960	0.000	1	115.5960	0.000	1	114.7708	1.381	6	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){4|C<4>,7|H<1>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H){2|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	113.6620	0.000	1	113.6620	0.000	1	114.7708	1.381	6	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){10|H<1>,3|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6270	0.240	2	115.6270	0.058	2	114.7708	1.381	6	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){2|C<4>,6|H<1>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H){2|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	112.9500	0.000	1	114.0565	2.449	2	114.7708	1.381	6	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]H)3(H){2|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.1630	0.000	1	114.0565	2.449	2	114.7708	1.381	6	115.0469	0.932	18	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:C-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H)	C[3x5,3x6](C[3x5,3x6]C[3,5,5,6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3,5,5,6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	112.8210	0.000	1	112.8210	0.000	1	113.2370	0.346	2	113.2370	0.346	2	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:C-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<4>,7|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.6530	0.000	1	113.6530	0.000	1	113.2370	0.346	2	113.2370	0.346	2	115.3177	1.778	25	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H)	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H)	H(C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]C[5,6])	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]C[5,6])	114.8295	0.012	2	114.8295	0.000	2	114.8295	0.000	2	114.8295	0.000	2	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H){1|C<3>,2|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	117.0005	0.074	2	117.0005	0.006	2	117.0005	0.006	2	117.1502	0.036	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H){4|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	117.1430	0.000	1	117.1430	0.000	1	117.1480	0.000	2	117.1502	0.036	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	117.1530	0.000	1	117.1530	0.000	1	117.1480	0.000	2	117.1502	0.036	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|O<1>,5|C<4>,7|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	117.1502	0.036	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[5,5]C[3x5,3x6]O)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.3945	0.008	2	115.3945	0.000	2	115.3945	0.000	2	115.5800	0.041	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,4x6]O)(H){4|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.8830	0.000	1	115.8830	0.000	1	115.7560	0.032	2	115.5800	0.041	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[4x5,6,6]O)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6290	0.000	1	115.6290	0.000	1	115.7560	0.032	2	115.5800	0.041	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|O<1>,5|C<4>,7|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	115.5800	0.041	5	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6710	0.000	1	115.6710	0.000	1	115.6710	0.000	1	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.7580	0.000	1	115.7580	0.000	1	115.7580	0.000	1	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H){3|C<3>,4|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6,6])	115.4270	0.000	1	115.4270	0.000	1	115.4270	0.000	1	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){2|C<4>,6|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	114.9050	0.000	1	113.6145	3.575	4	113.6145	3.575	4	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){2|C<4>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	111.8550	0.000	1	113.6145	3.575	4	113.6145	3.575	4	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	113.8490	2.420	2	113.6145	3.575	4	113.6145	3.575	4	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.1285	0.108	2	114.1285	0.012	2	114.2077	0.012	6	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.1180	0.000	1	114.1795	0.008	2	114.2077	0.012	6	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.2410	0.000	1	114.1795	0.008	2	114.2077	0.012	6	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){1|C<3>,2|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.3620	0.000	1	114.3150	0.004	2	114.2077	0.012	6	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.2680	0.000	1	114.3150	0.004	2	114.2077	0.012	6	114.5674	1.417	16	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[3x5,3x6]-4:C[5,5]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){4|C<4>,7|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH){6|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	115.2198	1.715	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){1|C<3>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.3970	0.000	1	114.3165	0.013	2	114.3165	0.013	2	114.3165	0.013	2	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){4|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.2360	0.000	1	114.3165	0.013	2	114.3165	0.013	2	114.3165	0.013	2	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO){1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH){4|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.1085	0.118	2	114.1085	0.014	2	114.1500	0.012	3	114.1500	0.012	3	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3){1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.2330	0.000	1	114.2330	0.000	1	114.1500	0.012	3	114.1500	0.012	3	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.1050	0.000	1	114.1705	0.005	4	114.2187	0.012	6	114.4878	0.257	8	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.2030	0.000	1	114.1705	0.005	4	114.2187	0.012	6	114.4878	0.257	8	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.1870	0.099	2	114.1705	0.005	4	114.2187	0.012	6	114.4878	0.257	8	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){1|C<3>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.4020	0.000	1	114.3150	0.015	2	114.2187	0.012	6	114.4878	0.257	8	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[3x5,6,6]C[3x5,6,6]C[3x5,6]2)	114.2280	0.000	1	114.3150	0.015	2	114.2187	0.012	6	114.4878	0.257	8	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[3x5,6]-4:C[5,5,6,6]-4:H-1:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H)	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H){5|H<1>,9|C<4>}	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){5|H<1>,9|C<4>}	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	115.2950	0.011	2	115.2950	0.000	2	115.2950	0.000	2	114.4878	0.257	8	114.3616	0.168	14	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5]-4:C[5]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.3445	0.052	2	115.3445	0.003	2	115.3445	0.003	2	115.4093	0.013	4	115.4093	0.013	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5]-4:C[5]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2{1|C<3>,3|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.3760	0.000	1	115.4740	0.019	2	115.4740	0.019	2	115.4093	0.013	4	115.4093	0.013	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[3x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5]-4:C[5]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H)	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[3x5]C[3x5,6,6]C[5]2)(H){1|O<1>,5|C<4>,7|H<1>}	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2{1|C<3>,3|C<4>,8|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[3x5])	115.5720	0.000	1	115.4740	0.019	2	115.4740	0.019	2	115.4093	0.013	4	115.4093	0.013	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,3x6]-4:C[3x5,6]-4:C[5,5,6,6]-4:H-1:	C[4x5,3x6]-4:C[4x5,3x6]-4:C[5,5,3x6]-4:C[3x5,6,6]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H)	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[4x5,3x6]C[3x5,6,6]C[5,5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H){5|H<1>,9|C<4>}	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[4x5,3x6]C[3x5,6,6]C[5,5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H){11|C<4>,8|H<1>}	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	115.3090	0.011	2	115.3090	0.000	2	115.3090	0.000	2	115.3070	0.000	3	115.3070	0.000	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6]-4:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H)	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H){7|C<4>,7|H<1>}	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H){7|H<1>,9|C<4>}	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	115.3030	0.000	1	115.3030	0.000	1	115.3030	0.000	1	115.3070	0.000	3	115.3070	0.000	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H)	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H)	H(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]C[5,5,6])	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]C[5,5,6])	117.3220	0.000	1	117.3220	0.000	1	117.3220	0.000	1	114.5832	3.816	6	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){3|C<4>,3|H<1>,4|C<3>}	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.5150	0.000	1	113.5150	0.000	1	113.3397	0.134	4	114.5832	3.816	6	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H)	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	112.8550	0.000	1	112.8550	0.000	1	113.3397	0.134	4	114.5832	3.816	6	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H)	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H){1|O<2>,3|C<3>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.7040	0.000	1	113.7040	0.000	1	113.3397	0.134	4	114.5832	3.816	6	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){1|C<4>,3|C<3>,6|H<1>}	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H){1|O<2>,3|C<3>,6|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.2850	0.000	1	113.2850	0.000	1	113.3397	0.134	4	114.5832	3.816	6	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H)	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H)	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6]2)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H){1|O<2>,3|C<3>,6|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6]2)	116.8180	0.000	1	116.8180	0.000	1	116.8180	0.000	1	114.5832	3.816	6	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5,6]-4:C[5,6]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H)	C[4x5,6,6](C[3x5,6,6]C[5,5,6,6]C[5,6,6]H)2(C[5,6]C[5,6]HH)2	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H){2|C<4>,9|H<1>}	C[4x5,6,6](C[3x5,6,6]C[5,5,6,6]C[5,6,6]H)2(C[5,6]C[5,6]HH)2{1|C<4>,9|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	114.1175	7.338	2	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5,6]-4:C[5,6]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H)	C[4x5,6,6](C[3x5,6,6]C[5,5,6,6]C[5,6,6]H)2(C[5,6]C[5,6]HH)2	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H){11|H<1>,3|C<4>}	C[4x5,6,6](C[3x5,6,6]C[5,5,6,6]C[5,6,6]H)2(C[5,6]C[5,6]HH)2{1|C<4>,9|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	114.1175	7.338	2	114.4668	3.821	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[3,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[3,6,6]C[3,6,6]C[3]H)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[3,6,6]C[3,6,6]C[3]H)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5850	0.119	2	115.5850	0.014	2	115.5850	0.014	2	115.5355	0.006	6	115.5355	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[4,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[4,6,6]C[4,6,6]C[4]H)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[4,6,6]C[4,6,6]C[4]H)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	115.5355	0.006	6	115.5355	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H)	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	115.5355	0.006	6	115.5355	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[4,3x5]-4:C[5,6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H)	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5230	0.000	1	115.5230	0.000	1	115.4945	0.002	2	115.5355	0.006	6	115.5355	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[4,3x5]-4:C[5,6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H)	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.4660	0.000	1	115.4660	0.000	1	115.4945	0.002	2	115.5355	0.006	6	115.5355	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[3x5,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H)	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H){5|H<1>,9|C<4>}	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	115.3130	0.000	1	115.3130	0.000	1	115.3130	0.000	1	114.9076	1.894	5	114.9832	1.549	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H)	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H){7|C<4>,7|H<1>}	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	H(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]C[3x5,6])	115.2690	0.014	2	115.2690	0.000	2	115.2690	0.000	2	114.9076	1.894	5	114.9832	1.549	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H)	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H)	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H){2|C<4>,9|H<1>}	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H){4|C<4>,6|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	116.1480	0.000	1	116.1480	0.000	1	116.1480	0.000	1	114.9076	1.894	5	114.9832	1.549	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H)	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H){11|H<1>,3|C<4>}	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,4|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	114.9076	1.894	5	114.9832	1.549	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[6,6]-4:C[6a]-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H)	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H){3|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2){4|C<3>,5|C<4>,7|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6,6])	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	114.9832	1.549	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6]2)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6]2)	116.8130	0.000	1	116.8130	0.000	1	116.8130	0.000	1	116.8130	0.000	1	116.7648	0.565	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,5,6]-4:C[4,3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6,6]-4:C[4x5,6,6]-4:C-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3,5,5,6]C[4x5,6,6]C[3]2)(C[4,3x5,6,6]C[4,3x5,6]2H)(C[5,5,6]C[4x5,6,6]CH)(H)	C[5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C)(COO)(H)	H(C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]C[5,5,6])	C[3x5,6,6](C[3,5,5,6]C[4x5,6,6]C[3]2)(C[4,3x5,6,6]C[4,3x5,6]2H)(C[5,5,6]C[4x5,6,6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C)(COO)(H){2|H<1>,5|C<4>}	H(C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]C[5,5,6])	117.2890	0.000	1	117.2890	0.000	1	117.2890	0.000	1	117.1660	0.103	3	116.7648	0.565	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,5,6]-4:C[4x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(COO)(H)	H(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]C[5,5,6])	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(COO)(H){3|H<1>,4|C<4>}	H(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]C[5,5,6])	117.4080	0.000	1	117.4080	0.000	1	117.4080	0.000	1	117.1660	0.103	3	116.7648	0.565	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(COO)(H)	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6]2)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(COO)(H){2|C<4>,5|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6]2)	116.8010	0.000	1	116.8010	0.000	1	116.8010	0.000	1	117.1660	0.103	3	116.7648	0.565	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H)	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	116.7648	0.565	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.8170	0.000	1	115.8170	0.000	1	115.7180	0.008	4	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.7620	0.000	1	115.7620	0.000	1	115.7180	0.008	4	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6800	0.000	1	115.6800	0.000	1	115.7180	0.008	4	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6130	0.000	1	115.6130	0.000	1	115.7180	0.008	4	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){4|C<4>,7|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{3|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	118.0950	0.000	1	118.0950	0.000	1	118.2708	2.336	5	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2{5|H<1>,6|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6920	0.000	1	115.6920	0.000	1	118.2708	2.336	5	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){2|C<4>,6|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	119.1030	0.000	1	119.1890	0.068	3	118.2708	2.336	5	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{3|H<1>,5|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	118.9830	0.000	1	119.1890	0.068	3	118.2708	2.336	5	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	119.4810	0.000	1	119.1890	0.068	3	118.2708	2.336	5	117.1362	2.981	9	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H)	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])	115.6300	0.000	1	115.6300	0.000	1	115.6300	0.000	1	115.6300	0.000	1	116.9856	2.877	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H){2|C<4>,9|H<1>}	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2{4|C<4>,4|H<1>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	114.9067	0.869	3	114.9873	0.975	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[4,3x5]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H)	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.4440	0.074	2	115.4440	0.005	2	115.4440	0.005	2	114.9067	0.869	3	114.9873	0.975	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5745	0.078	2	115.5745	0.006	2	115.5440	0.006	3	115.5378	0.004	4	114.9873	0.975	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.4830	0.000	1	115.4830	0.000	1	115.5440	0.006	3	115.5378	0.004	4	114.9873	0.975	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	115.5378	0.004	4	114.9873	0.975	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H){11|H<1>,3|C<4>}	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H){6|H<1>,8|C<4>}	H(C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]C[5,6,6])	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	114.9873	0.975	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	113.3393	0.132	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	113.3393	0.132	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.5280	0.000	1	113.5280	0.000	1	113.4165	0.025	2	113.4165	0.025	2	113.3393	0.132	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	H(C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]C[5,6])	113.3050	0.000	1	113.3050	0.000	1	113.4165	0.025	2	113.4165	0.025	2	113.3393	0.132	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[4x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H)	H(C[3x5,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){4|H<1>,7|C<4>}	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H){7|C<4>,7|H<1>}	H(C[3x5,6]C[3x5,6,6]C[3x5,6]2)	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	115.0648	0.770	8	115.0648	0.770	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5630	0.000	1	115.5392	0.002	4	115.5377	0.002	6	115.0648	0.770	8	115.0648	0.770	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5640	0.000	1	115.5392	0.002	4	115.5377	0.002	6	115.0648	0.770	8	115.0648	0.770	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]C)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5150	0.054	2	115.5392	0.002	4	115.5377	0.002	6	115.0648	0.770	8	115.0648	0.770	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.4830	0.000	1	115.5345	0.005	2	115.5377	0.002	6	115.0648	0.770	8	115.0648	0.770	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5860	0.000	1	115.5345	0.005	2	115.5377	0.002	6	115.0648	0.770	8	115.0648	0.770	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:H-1:	C[4x5,3x6]-4:C[3x5,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H)	H(C[3x5,6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){5|H<1>,9|C<4>}	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H){5|H<1>,9|C<4>}	H(C[3x5,6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	115.0648	0.770	8	115.0648	0.770	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H){1|O<1>,3|C<3>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	H(C[3x5,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){4|H<1>,7|C<4>}	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){4|H<1>,7|C<4>}	H(C[3x5,6]C[3x5,6,6]C[3x5,6]2)	113.5805	0.023	2	113.5805	0.001	2	113.5805	0.001	2	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	H(C[3x5,6]C[3x5,6,6]C[3x5,6]2)	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){4|H<1>,7|C<4>}	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){5|H<1>,9|C<4>}	H(C[3x5,6]C[3x5,6,6]C[3x5,6]2)	113.5755	0.013	2	113.5755	0.000	2	113.5755	0.000	2	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H)	H(C[3x5,6]C[3x5,6]3)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H){1|O<2>,4|C<4>,6|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H){1|O<2>,4|C<4>,6|H<1>}	H(C[3x5,6]C[3x5,6]3)	113.5039	0.996	7	113.5039	0.991	7	113.5039	0.991	7	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H)	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H)	H(C[3x5,6]C[3x5,6]3)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H){1|O<2>,4|C<4>,6|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H){4|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6]3)	113.4275	1.148	4	113.4275	1.317	4	113.4275	1.317	4	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H)	H(C[3x5,6]C[3x5,6]2C[5,5])	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H){4|C<4>,5|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[3x5,6]C[3x5,6]2H)2(H){1|O<2>,4|C<4>,6|H<1>}	H(C[3x5,6]C[3x5,6]2C[5,5])	115.5655	1.365	4	115.5655	1.862	4	115.5655	1.862	4	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.8195	0.074	4	113.8195	0.006	4	113.8195	0.006	4	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|O<2>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|N<2>,6|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	114.2790	0.000	1	114.2790	0.000	1	114.8665	0.690	2	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|N<2>,6|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	115.4540	0.000	1	115.4540	0.000	1	114.8665	0.690	2	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	H(C[3x5,6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){5|H<1>,9|C<4>}	C[3x5,6](C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){4|H<1>,7|C<4>}	H(C[3x5,6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])	113.7925	0.023	2	113.7925	0.001	2	113.7925	0.001	2	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[4x5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H)	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H)	H(C[3x5,6]C[3,5,5]C[3x5,6]C[4x5,6])	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H){1|N<3>,5|C<4>,5|H<1>}	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[3x5,6]C[3,5,5]C[3x5,6]C[4x5,6])	112.9710	0.284	2	112.9710	0.081	2	112.9710	0.081	2	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H)	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.6427	0.165	4	113.6427	0.027	4	113.6427	0.027	4	113.8764	1.055	33	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H)	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H){5|C<4>,5|O<2>}	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH){6|C<4>,6|O<2>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	113.7000	0.002	2	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H)	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC)	H(C[3x5,6]C[3x5,6]C[5,5,6]2)	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[3x5,6]C[3x5,6]C[5,5,6]2)	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	113.7000	0.002	2	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[3,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:C-4:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[3,5,6]C[3,5,6]C[3]H)(H)	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3)	H(C[3x5,6]C[5,5,6,6]C[3,5,6]C[3x5,6])	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[3,5,6]C[3,5,6]C[3]H)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[3x5,6]C[5,5,6,6]C[3,5,6]C[3x5,6])	114.8600	0.141	2	114.8600	0.020	2	114.8600	0.020	2	114.8600	0.020	2	113.9123	0.967	38	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:	C[3x5,6]-4:	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H)	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)	H(C[3x5,6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])	C[3x5,6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[3x5,6,6]C[4x5,3x6]C[5,5,6,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)(H){5|H<1>,9|C<4>}	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H){7|H<1>,9|C<4>}	H(C[3x5,6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])	113.7465	0.056	2	113.7465	0.003	2	113.7465	0.003	2	113.7465	0.003	2	113.7465	0.003	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[3x5,3x6]-4:C[5,6]-4:C[5,6]-3:	C[3x5,6]-4:	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H)	C[4x5,6,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[3x5,3x6]C[5,6,6]2C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]H)	H(C[3x5,6]C[4x5,6,6]C[5,5,6,6]C[5,6])	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4x5,6,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[3x5,3x6]C[5,6,6]2C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[3x5,6]C[4x5,6,6]C[5,5,6,6]C[5,6])	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3,3x5]-4:C[5]-4:	C[3x5,6]-4:	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H)	C[4x5,6](C[3x5,6]C[3,5,5]C[3x5,6]H)2(C[3,3x5]C[3,5,5]2C[5])(C[5]N[5]HH)	H(C[3x5,6]C[3,5,5]C[3x5,6]C[4x5,6])	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H){1|N<3>,5|C<4>,5|H<1>}	C[4x5,6](C[3x5,6]C[3,5,5]C[3x5,6]H)2(C[3,3x5]C[3,5,5]2C[5])(C[5]N[5]HH){1|C<3>,2|C<4>,8|H<1>}	H(C[3x5,6]C[3,5,5]C[3x5,6]C[4x5,6])	113.0235	1.032	2	113.0235	1.064	2	113.0235	1.064	2	113.0235	1.064	2	113.0235	1.064	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H)	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]O[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]O[5,6])	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:3:1:	4:4:2:2:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	116.3925	0.165	2	116.4347	0.019	3	116.4347	0.019	3	116.2285	0.968	6	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:3:1:	4:4:2:2:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	116.5190	0.000	1	116.4347	0.019	3	116.4347	0.019	3	116.2285	0.968	6	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:3:1:	4:4:2:2:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	115.4620	1.632	2	116.0223	2.274	3	116.0223	2.274	3	116.2285	0.968	6	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:3:1:	4:4:2:2:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<4>,5|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	117.1430	0.000	1	116.0223	2.274	3	116.0223	2.274	3	116.2285	0.968	6	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:3:1:	4:4:2:4:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[4x5,6]-4:C[3x5,6]-4:O[5,5]-2:C-4:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(CH3)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,2|C<4>}	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H)	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H){1|C<4>,6|H<1>}	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H)	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H){1|Ru<11>,1|C<3>,2|C<4>,5|H<1>}	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.6265	0.000	2	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[4x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H){2|C<4>,5|H<1>}	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	114.6265	0.000	2	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4x5]	H	6:4:4:1:	4:4:4:1:	4:	C[5x3,6x5,21x6]-6:C[3,5,5,6]-4:C[4x5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H)	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H)	H(C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]C[4x5])	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H){5|B<6>,9|H<1>}	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H){3|H<1>,6|B<6>}	H(C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]C[4x5])	114.5275	0.163	4	114.5275	0.027	4	114.5275	0.027	4	114.5275	0.027	4	115.3516	0.971	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.4770	0.000	1	115.4875	0.000	2	115.5185	0.003	4	115.5185	0.003	4	115.5185	0.003	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.4980	0.000	1	115.4875	0.000	2	115.5185	0.003	4	115.5185	0.003	4	115.5185	0.003	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.5950	0.000	1	115.5950	0.000	1	115.5185	0.003	4	115.5185	0.003	4	115.5185	0.003	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.5040	0.000	1	115.5040	0.000	1	115.5185	0.003	4	115.5185	0.003	4	115.5185	0.003	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H)	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[3x5,6]C[5,5,6,6]P[3x5,6]C[5,6])	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,7|H<1>}	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[3x5,6]C[5,5,6,6]P[3x5,6]C[5,6])	115.5880	0.000	1	115.5880	0.000	1	115.7245	0.037	2	115.7245	0.037	2	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H)	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H)	H(C[3x5,6]C[5,5,6,6]P[3x5,6]C[5,6])	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[3x5,6]C[5,5,6,6]P[3x5,6]C[5,6])	115.8610	0.000	1	115.8610	0.000	1	115.7245	0.037	2	115.7245	0.037	2	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.8325	0.105	2	115.8325	0.011	2	115.8240	0.006	3	115.8240	0.006	3	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.8070	0.000	1	115.8070	0.000	1	115.8240	0.006	3	115.8240	0.006	3	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[3,5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	115.7740	0.000	1	115.7690	0.000	2	115.7690	0.000	2	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[3,5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|H<1>,5|C<4>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	115.7640	0.000	1	115.7690	0.000	2	115.7690	0.000	2	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4710	0.375	2	115.4710	0.140	2	115.4446	0.026	22	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.2760	0.232	2	115.2760	0.054	2	115.4446	0.026	22	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.5360	0.000	1	115.5360	0.000	1	115.4446	0.026	22	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3940	0.000	1	115.4560	0.017	17	115.4446	0.026	22	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4863	0.159	9	115.4560	0.017	17	115.4446	0.026	22	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4367	0.101	6	115.4560	0.017	17	115.4446	0.026	22	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3610	0.000	1	115.4560	0.017	17	115.4446	0.026	22	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4390	0.000	1	115.4390	0.000	1	115.4533	0.001	3	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4300	0.000	1	115.4605	0.002	2	115.4533	0.001	3	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|S<2>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4910	0.000	1	115.4605	0.002	2	115.4533	0.001	3	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.5040	0.000	1	115.4915	0.000	2	115.4915	0.000	2	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4790	0.000	1	115.4915	0.000	2	115.4915	0.000	2	115.4711	0.026	29	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[3,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6,6]-3:C-4:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[3,5,6]C[3,5,6]C[3]H)(H)	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3)	H(C[3x5,6]C[5,5,6,6]C[3,5,6]C[3x5,6])	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[3,5,6]C[3,5,6]C[3]H)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3){3|H<1>,5|C<4>}	H(C[3x5,6]C[5,5,6,6]C[3,5,6]C[3x5,6])	114.9205	0.248	2	114.9205	0.062	2	114.9205	0.062	2	114.9093	0.031	3	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H)	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3)	H(C[3x5,6]C[4x5,6,6]C[5,5,6,6]C[5,6])	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x5,6]C[4x5,6,6]C[5,5,6,6]C[5,6])	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.9093	0.031	3	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.8272	0.124	4	113.8272	0.015	4	113.8272	0.015	4	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H){1|O<1>,4|H<1>,5|C<4>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4990	0.000	1	115.4990	0.000	1	115.4032	0.005	4	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3470	0.000	1	115.3780	0.002	2	115.4032	0.005	4	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4090	0.000	1	115.3780	0.002	2	115.4032	0.005	4	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3580	0.000	1	115.3580	0.000	1	115.4032	0.005	4	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){3|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H){5|C<4>,7|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	114.7470	0.000	1	114.7470	0.000	1	115.1780	0.222	14	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4810	0.122	2	115.2015	0.243	12	115.1780	0.222	14	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.1450	0.000	1	115.2015	0.243	12	115.1780	0.222	14	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.1457	0.556	9	115.2015	0.243	12	115.1780	0.222	14	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,6|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H){3|C<4>,6|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3270	0.000	1	115.3270	0.000	1	115.1780	0.222	14	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	114.9835	0.435	23	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:C[6a]-3:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,7|H<1>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.6947	0.170	4	113.6947	0.029	4	113.6947	0.029	4	113.6947	0.029	4	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C-4:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H){5|C<4>,5|O<2>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3){4|C<4>,4|H<1>,5|O<2>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	115.1580	0.416	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H)	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	119.2475	4.139	2	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H)	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{2|C<3>,2|C<4>}	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	119.2475	4.139	2	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|I<1>,1|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	115.0460	0.000	1	115.0460	0.000	1	115.2343	0.027	3	115.2343	0.027	3	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	115.3270	0.000	1	115.3270	0.000	1	115.2343	0.027	3	115.2343	0.027	3	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|O<1>,1|S<2>,2|F<1>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[3x5,6]C[5,5,6]2O[5,5])	115.3300	0.000	1	115.3300	0.000	1	115.2343	0.027	3	115.2343	0.027	3	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	H(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	H(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])	114.9710	0.000	1	114.9710	0.000	1	114.9710	0.000	1	114.9710	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	115.2690	0.000	1	115.2690	0.000	1	115.1695	0.020	2	115.1695	0.020	2	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	H(C[3x5,6]C[5,5,6]2O[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|I<1>,1|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	115.0700	0.000	1	115.0700	0.000	1	115.1695	0.020	2	115.1695	0.020	2	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC)	H(C[3x5,6]C[5,5,6]2O[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|O<1>,1|S<2>,2|F<1>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC){1|C<4>,2|H<1>}	H(C[3x5,6]C[5,5,6]2O[5,5])	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[4,3x5]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C-4:C-4:	C[3x5,6]-4:	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H)	C[5,5,6](C[4,5,5,6]C[4,5,5,6]C[4,5]H)(C[3x5,6]C[4,3x5]O[5,6]H)(CH3)2	H(C[3x5,6]C[4,3x5]C[5,5,6]O[5,6])	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[4,5,5,6]C[4,5,5,6]C[4,5]H)(C[3x5,6]C[4,3x5]O[5,6]H)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[3x5,6]C[4,3x5]C[5,5,6]O[5,6])	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2N[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H){1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3x5,6]C[5,5,6]2N[5,5])	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	H(C[3x5,6]C[5,5,6]2N[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H){1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[3x5,6]C[5,5,6]2N[5,5])	117.8100	0.000	1	117.8100	0.000	1	117.8100	0.000	1	117.8100	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[3x5,6]C[5,5,6]3)	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[3x5,6]C[5,5,6]3)	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	116.2997	0.263	3	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,6|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	116.2000	0.000	1	116.2000	0.000	1	116.0220	0.063	2	116.2997	0.263	3	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H){7|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	115.8440	0.000	1	115.8440	0.000	1	116.0220	0.063	2	116.2997	0.263	3	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H){2|C<4>,6|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	115.8810	0.625	7	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	115.8810	0.625	7	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Br<1>,1|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.8760	0.000	1	116.8760	0.000	1	116.1622	0.228	5	115.8810	0.625	7	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<2>,1|C<4>,1|O<1>,3|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.4000	0.000	1	116.4000	0.000	1	116.1622	0.228	5	115.8810	0.625	7	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H){1|O<1>,3|C<4>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.7640	0.000	1	115.7640	0.000	1	116.1622	0.228	5	115.8810	0.625	7	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.0190	0.000	1	116.0190	0.000	1	116.1622	0.228	5	115.8810	0.625	7	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Se<2>,1|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.7520	0.000	1	115.7520	0.000	1	116.1622	0.228	5	115.8810	0.625	7	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5]-2:O-2:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H){5|C<4>,5|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH){2|O<2>,6|C<4>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H){1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.3290	0.059	2	115.3290	0.004	2	115.3290	0.004	2	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	113.6000	0.000	1	113.6000	0.000	1	115.2117	1.226	6	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<4>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	113.9990	0.000	1	113.9990	0.000	1	115.2117	1.226	6	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.0240	0.000	1	116.0240	0.000	1	115.2117	1.226	6	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.7720	0.000	1	115.9180	0.043	2	115.2117	1.226	6	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.0640	0.000	1	115.9180	0.043	2	115.2117	1.226	6	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Se<2>,1|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.8110	0.000	1	115.8110	0.000	1	115.2117	1.226	6	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.0540	0.000	1	115.0540	0.000	1	114.9205	0.036	2	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	114.7870	0.000	1	114.7870	0.000	1	114.9205	0.036	2	115.0355	0.855	11	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC)	H(C[3x5,6]C[3x5,6]C[5,5,6]2)	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]2)	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	114.9805	1.931	4	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[6,6]-3:O[5]-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])	H(C[3x5,6]C[3x5,6]C[5,5,6]2)	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,7|C<4>}	H(C[3x5,6]C[3x5,6]C[5,5,6]2)	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	114.9805	1.931	4	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(CN)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(CN){1|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.3400	0.000	1	116.3400	0.000	1	116.3400	0.000	1	114.9805	1.931	4	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	114.9805	1.931	4	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.7918	0.066	4	113.7918	0.004	4	113.7918	0.004	4	113.6794	0.066	5	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Br<1>,1|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3){1|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	113.6794	0.066	5	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|N<2>,6|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H){1|C<4>,1|N<2>,5|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	115.4880	0.000	1	115.4880	0.000	1	115.4880	0.000	1	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H)	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.6645	0.179	4	113.6645	0.032	4	113.6645	0.032	4	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.1670	0.000	1	115.1670	0.000	1	115.2153	0.019	3	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.1070	0.000	1	115.1070	0.000	1	115.2153	0.019	3	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,2|C<4>,9|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.3720	0.000	1	115.3720	0.000	1	115.2153	0.019	3	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.0350	0.000	1	115.0350	0.000	1	115.1783	0.027	3	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.1430	0.000	1	115.1430	0.000	1	115.1783	0.027	3	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,2|C<4>,9|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.3570	0.000	1	115.3570	0.000	1	115.1783	0.027	3	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.3960	0.062	2	115.3960	0.004	2	115.3960	0.004	2	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H){9|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	113.6740	3.799	2	113.6740	14.429	2	113.6740	14.429	2	114.6311	1.716	15	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	116.7428	17.819	5	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,2|C<4>,9|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	116.7428	17.819	5	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[3x5,6]C[5,5,6]3)	115.0760	0.000	1	115.0760	0.000	1	115.0760	0.000	1	116.7428	17.819	5	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC)	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H){9|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC){3|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	119.0470	7.314	2	119.0470	53.499	2	119.0470	53.499	2	116.7428	17.819	5	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:C-4:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H)	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3)	H(C[3x5,6]C[5,5,6]3)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[3x5,6]C[5,5,6]3)	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	115.4155	3.207	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){2|C<4>,3|H<1>}	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	115.5000	0.000	1	115.5000	0.000	1	115.5000	0.000	1	115.5000	0.000	1	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,3x5,6]C[3,5,5,6]H)2(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2	H(C[3x5,6]C[3,5,5,6]2C[5,5])	C[3x5,6](C[3,5,5,6]C[3,3x5,6]C[3,5,5,6]H)2(C[5,5]C[3x5,6]HH)(H){2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2{2|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]2C[5,5])	117.2415	0.155	2	117.2415	0.024	2	115.8512	0.562	10	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2	H(C[3x5,6]C[3,5,5,6]2C[5,5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|I<1>,3|H<1>}	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2{2|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]2C[5,5])	115.5036	0.169	8	115.5036	0.029	8	115.8512	0.562	10	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5310	0.000	1	115.5280	0.002	6	115.5280	0.002	6	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5183	0.048	3	115.5280	0.002	6	115.5280	0.002	6	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5410	0.076	2	115.5280	0.002	6	115.5280	0.002	6	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|N<2>,6|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|N<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	115.4750	0.000	1	115.4750	0.000	1	115.4750	0.000	1	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.5270	0.041	2	115.5447	0.002	4	115.5447	0.002	4	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.5180	0.000	1	115.5447	0.002	4	115.5447	0.002	4	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.6070	0.000	1	115.5447	0.002	4	115.5447	0.002	4	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.5010	0.413	2	115.5010	0.171	2	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.8390	0.100	2	115.8390	0.010	2	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.5290	0.000	1	115.5290	0.000	1	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.5580	0.000	1	115.4002	0.037	4	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.2855	0.235	2	115.4002	0.037	4	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4720	0.000	1	115.4002	0.037	4	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.7830	0.000	1	115.7830	0.000	1	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3340	0.000	1	115.3523	0.000	3	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3640	0.000	1	115.3523	0.000	3	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3590	0.000	1	115.3523	0.000	3	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3460	0.000	1	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4640	0.182	10	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3891	0.073	7	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4120	0.123	3	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.0370	0.000	1	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4685	0.032	2	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.1807	0.532	10	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,6|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	114.7690	0.000	1	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){3|C<4>,5|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.8710	0.000	1	115.3435	0.117	36	115.3881	0.105	49	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	115.9630	0.000	1	115.9630	0.000	1	115.9630	0.000	1	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4940	0.000	1	115.4740	0.001	2	115.4740	0.001	2	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4540	0.000	1	115.4740	0.001	2	115.4740	0.001	2	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)2(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.3265	0.066	2	115.3265	0.004	2	115.3265	0.004	2	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Br<1>,1|O<1>,4|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	117.6950	0.000	1	116.9990	0.969	2	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|I<1>,1|O<2>,3|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	116.3030	0.000	1	116.9990	0.969	2	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	117.7680	0.000	1	118.1885	0.354	2	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	118.6090	0.000	1	118.1885	0.354	2	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.9810	0.000	1	115.9810	0.000	1	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.7880	0.000	1	115.8600	0.014	3	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.9960	0.000	1	115.8600	0.014	3	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Se<2>,1|O<1>,4|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Se<2>,1|C<3>,1|O<2>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	115.7960	0.000	1	115.8600	0.014	3	116.7420	1.226	8	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,6|H<1>}	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{2|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	115.6086	0.395	84	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:O-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H)	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H)	H(C[3x5,6]C[3x5,6]2C[5,5])	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H){4|C<4>,5|H<1>}	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H){4|C<4>,4|H<1>}	H(C[3x5,6]C[3x5,6]2C[5,5])	116.1555	1.351	2	116.1555	1.826	2	116.1555	1.826	2	115.5290	2.090	3	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5]-4:N[5]-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H){3|C<4>,3|H<1>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	115.5290	2.090	3	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H){1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	114.7200	2.346	2	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:N-3:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H)	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H){7|H<1>}	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H){2|C<4>,4|H<1>}	H(C[3x5,6]C[5,5,6]N[5,5,6]C[5,5])	115.8030	0.000	1	115.8030	0.000	1	115.8030	0.000	1	114.7200	2.346	2	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[3x5,6]C[5,5,6]2C[5,5])	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H){9|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[5,5,6]2C[5,5])	113.3945	3.249	2	113.3945	10.557	2	113.3945	10.557	2	113.3945	10.557	2	115.5374	0.668	92	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C)(C[6]C[6]2Ru)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H){1|Ru<11>,1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C)(C[6]C[6]2Ru)(H){5|C<4>,5|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	114.6267	0.049	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H){2|C<4>,5|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H){4|H<1>,5|C<4>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	114.6780	0.082	2	114.6267	0.049	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	C[3x5,6]-4:	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	H(C[3x5,6]C[4x5,6,6]C[5,5,6,6]C[5,6])	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	H(C[3x5,6]C[4x5,6,6]C[5,5,6,6]C[5,6])	114.8800	0.000	1	114.8800	0.000	1	114.8800	0.000	1	114.6780	0.082	2	114.6267	0.049	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5,5a]-3:H-1:	C[3x5]-4:C[5,5,6]-4:C[5]-4:C[5,6]-3:	C[3x5]-4:	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H)	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H)	H(C[3x5]C[3x5,6]C[5,5,6]N[5,5a])	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H){1|C<4>,4|H<1>,7|C<3>}	H(C[3x5]C[3x5,6]C[5,5,6]N[5,5a])	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	110.6613	0.541	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[3x5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[5]-4:	C[3x5]-4:	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	H(C[3x5]C[3x5,6]C[5,5,6]C[5])	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H){5|C<3>,7|H<1>}	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,3|C<3>,6|H<1>}	H(C[3x5]C[3x5,6]C[5,5,6]C[5])	110.2415	0.153	2	110.2415	0.024	2	110.2415	0.024	2	110.2415	0.024	2	110.6613	0.541	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[4x5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[4x5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[3x5]-4:	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H)	C[4x5](C[3x5]C[5,5]2H)(C[5,5]C[5]2C)(C[5,5]C[5]2H)2	H(C[3x5]C[4x5]C[5,5]2)	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[4x5](C[3x5]C[5,5]2H)(C[5,5]C[5]2C)(C[5,5]C[5]2H)2{13|H<1>,1|C<3>,2|O<2>}	H(C[3x5]C[4x5]C[5,5]2)	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5,5a]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[3x5]-4:	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H)	H(C[3x5]C[3x5,6]C[5,5,6]N[5,5a])	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[3x5]C[3x5,6]C[5,5,6]N[5,5a])	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	111.8683	4.056	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[6a]-3:	C[3x5]-4:	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2)	H(C[3x5]C[3x5,6]C[5,5,6]C[5])	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H){5|C<3>,7|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,7|H<1>}	H(C[3x5]C[3x5,6]C[5,5,6]C[5])	110.2510	0.214	2	110.2510	0.046	2	110.2510	0.046	2	110.2510	0.046	2	111.8683	4.056	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[3x5]-4:	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x5]C[5,5,6]C[5,5]2)	113.5650	0.000	2	113.5650	0.000	2	113.5650	0.000	2	113.5650	0.000	2	111.8683	4.056	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:O[5,6]-2:C[6]-4:C[5]-4:	C[3x5]-4:	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|Br<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x5]C[5,5,6]C[5,5]2)	113.6530	0.000	2	113.6530	0.000	2	113.6530	0.000	2	113.6530	0.000	2	111.8683	4.056	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,6]-4:C[5,6]-4:C[3x5]-4:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	H(C[3x5]C[5,5,6]C[5,5]2)	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	111.8683	4.056	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)	H(C[3x5]C[5,5]2N[5,5])	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H){3|C<4>,4|C<3>}	H(C[3x5]C[5,5]2N[5,5])	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	3:4:4:1:	4:4:4:2:	4:	N[5,5]-3:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[3x5]-4:	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[3x5]C[5,5]2N[5,5])	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[3x5]C[5,5]2N[5,5])	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:O-2:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH)	H(C[3x5]C[5,5]N[5,5]2)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	H(C[3x5]C[5,5]N[5,5]2)	112.3370	0.074	3	112.3370	0.006	3	112.3370	0.006	3	112.3370	0.006	3	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	H(C[3x5]C[5,5]2N[5,5])	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[3x5]C[5,5]2N[5,5])	112.9320	0.113	2	112.9320	0.013	2	112.9320	0.013	2	112.9320	0.013	2	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H)	H(C[3x5]C[5,5]2N[5,5])	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,3|H<1>}	H(C[3x5]C[5,5]2N[5,5])	112.9215	0.095	2	112.9215	0.009	2	112.9215	0.009	2	112.9215	0.009	2	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:O[5,5]-2:H-1:	C[3x5]-4:C[3,5,5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H)	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2	H(C[3x5]C[5,5]2O[5,5])	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H){2|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2{1|C<3>,3|H<1>}	H(C[3x5]C[5,5]2O[5,5])	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:O[5,5]-2:H-1:	C[3x5]-4:C[3,5,5]-4:C[5a]-3:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H)	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H)	H(C[3x5]C[5,5]2O[5,5])	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H){2|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[3x5]C[5,5]2O[5,5])	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:3:1:	3:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){3|H<1>,6|C<3>}	H(C[3x5]C[5,5]3)	112.0714	1.079	20	112.0714	1.164	20	112.0714	1.164	20	112.0714	1.164	20	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	3:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]2H)3(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5,6a]2H)3(H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){2|C<4>,2|H<1>,6|C<3>}	H(C[3x5]C[5,5]3)	111.9110	0.044	2	111.9110	0.002	2	111.9110	0.002	2	111.9110	0.002	2	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]2C[6a])3(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5,6a]2C[6a])3(H){12|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2){10|C<3>,4|H<1>}	H(C[3x5]C[5,5]3)	110.7017	0.066	10	110.7017	0.004	10	110.7017	0.004	10	110.8133	0.048	13	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:Si-3:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]2Si)3(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiCC)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5,6a]2Si)3(H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiCC){2|Si<3>,2|H<1>,6|C<3>}	H(C[3x5]C[5,5]3)	111.1853	0.026	3	111.1853	0.001	3	111.1853	0.001	3	110.8133	0.048	13	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]2C)3(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5,6a]2C)3(H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3){2|C<4>,2|H<1>,6|C<3>}	H(C[3x5]C[5,5]3)	110.5691	0.313	9	110.5691	0.098	9	110.5691	0.098	9	110.6422	0.089	12	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:Si-4:	C[3x5]-4:	C[3x5](C[5,5]C[5,6a]2Si)3(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5,6a]2Si)3(H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3){2|Si<4>,2|H<1>,6|C<3>}	H(C[3x5]C[5,5]3)	110.8617	0.007	3	110.8617	0.000	3	110.8617	0.000	3	110.6422	0.089	12	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H)	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x5]C[5,5]3)	116.0090	0.000	1	116.0090	0.000	1	116.1994	2.371	11	116.1994	2.371	11	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x5]C[5,5]3)	116.0500	0.000	1	116.0500	0.000	1	116.1994	2.371	11	116.1994	2.371	11	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H){3|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|N<4>,2|C<3>,3|H<1>}	H(C[3x5]C[5,5]3)	116.8560	0.000	1	116.8560	0.000	1	116.1994	2.371	11	116.1994	2.371	11	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H)	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H){1|B<6>,2|H<1>}	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2{1|C<3>,1|O<2>,2|C<6>,3|B<6>,4|H<1>}	H(C[3x5]C[5,5]3)	116.6700	0.000	1	116.6700	0.000	1	116.1994	2.371	11	116.1994	2.371	11	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H){3|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{2|C<4>,4|H<1>}	H(C[3x5]C[5,5]3)	117.6160	0.000	1	117.6160	0.000	1	116.1994	2.371	11	116.1994	2.371	11	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H){2|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<5>,4|H<1>}	H(C[3x5]C[5,5]3)	115.0220	4.255	2	115.8320	4.036	6	116.1994	2.371	11	116.1994	2.371	11	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H){3|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<6>,5|H<1>}	H(C[3x5]C[5,5]3)	116.2370	0.188	4	115.8320	4.036	6	116.1994	2.371	11	116.1994	2.371	11	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|Br<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[3x5]C[5,5,6]C[5,5]2)	113.6300	0.000	2	113.5870	0.002	4	113.5870	0.002	4	113.9586	1.415	7	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[3x5]C[5,5,6]C[5,5]2)	113.5440	0.000	2	113.5870	0.002	4	113.5870	0.002	4	113.9586	1.415	7	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:O-2:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H){1|B<6>,2|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H){1|B<6>,1|C<3>,4|H<1>}	H(C[3x5]C[5,5]3)	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	113.9586	1.415	7	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H){1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,5|H<1>}	H(C[3x5]C[5,5]3)	113.3390	0.000	1	113.3590	0.001	2	113.3590	0.001	2	113.9586	1.415	7	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H){1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[3x5]C[5,5]3)	113.3790	0.000	1	113.3590	0.001	2	113.3590	0.001	2	113.9586	1.415	7	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[4x5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[3x5]-4:	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH)	H(C[3x5]C[4x5]C[5,5]2)	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	H(C[3x5]C[4x5]C[5,5]2)	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[3,5]-4:C[5]-3:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[3x5]C[5,5,6]C[5,5]2)	113.2790	0.000	1	113.2790	0.000	1	113.2790	0.000	1	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	H(C[3x5]C[5,5,6]C[5,5]2)	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|Br<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[3x5]C[5,5,6]C[5,5]2)	113.6610	0.000	2	113.6020	0.005	4	113.6020	0.005	4	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	H(C[3x5]C[5,5,6]C[5,5]2)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[3x5]C[5,5,6]C[5,5]2)	113.5430	0.000	2	113.6020	0.005	4	113.6020	0.005	4	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[4x5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	H(C[3x5]C[4x5]C[5,5]2)	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|C<4>}	H(C[3x5]C[4x5]C[5,5]2)	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H){3|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H){1|C<3>,1|N<4>,4|H<1>}	H(C[3x5]C[5,5]3)	116.8660	0.000	1	116.8660	0.000	1	116.7455	0.029	2	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H){1|B<6>,2|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H){1|B<6>,1|O<2>,4|H<1>}	H(C[3x5]C[5,5]3)	116.6250	0.000	1	116.6250	0.000	1	116.7455	0.029	2	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H)	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H){1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	H(C[3x5]C[5,5]3)	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	114.0677	2.241	10	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:C-4:H-1:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H){3|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H){1|C<4>,5|H<1>}	H(C[3x5]C[5,5]3)	115.5550	0.173	2	115.5550	0.030	2	115.5550	0.030	2	115.5550	0.030	2	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:N-4:C-3:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO)	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H){3|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO){1|C<3>,5|H<1>}	H(C[3x5]C[5,5]3)	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:C-4:C-4:	C[3x5]-4:	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H)	C[5,5](C[3,5,5]C[3,5,5]2C[6a])(C[3x5]C[5,5]2H)(CH3)2	H(C[3x5]C[5,5]3)	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[3,5,5]C[3,5,5]2C[6a])(C[3x5]C[5,5]2H)(CH3)2{1|C<4>,2|C<3>,5|H<1>}	H(C[3x5]C[5,5]3)	116.0350	0.000	1	116.0350	0.000	1	116.0350	0.000	1	116.0350	0.000	1	112.8653	4.531	91	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[3x5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	H(C[3x5]C[3x5,6]C[5,5,6]C[5])	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H){5|C<3>,7|H<1>}	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[3x5]C[3x5,6]C[5,5,6]C[5])	110.1335	0.185	2	110.1335	0.034	2	110.1335	0.034	2	110.1335	0.034	2	110.1335	0.034	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3,5,5,6]-4:C[4x5,6,6]-4:C[5,5,6]-4:H-1:	C[4x5,6,6]-4:	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H)	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H)	H(C[4x5,6,6]C[3x5,6,6]3)	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[4x5,6,6]C[3x5,6,6]3)	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	116.9895	0.006	6	116.9895	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[4x5,6,6]-4:	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H)	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	H(C[4x5,6,6]C[3x5,6,6]3)	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[4x5,6,6]C[3x5,6,6]3)	116.9160	0.000	1	116.9160	0.000	1	116.9890	0.006	4	116.9895	0.006	6	116.9895	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[4x5,6,6]-4:	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H)	H(C[4x5,6,6]C[3x5,6,6]3)	C[4x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[4x5,6,6]C[3x5,6,6]3)	116.9280	0.000	1	116.9280	0.000	1	116.9890	0.006	4	116.9895	0.006	6	116.9895	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[4x5,6,6]-4:	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H)	H(C[4x5,6,6]C[3x5,6,6]3)	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H){1|O<2>,3|C<3>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[4x5,6,6]C[3x5,6,6]3)	117.0590	0.000	1	117.0590	0.000	1	116.9890	0.006	4	116.9895	0.006	6	116.9895	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[4x5,6,6]-4:	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	H(C[4x5,6,6]C[3x5,6,6]3)	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H){1|O<2>,3|C<3>,6|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[4x5,6,6]C[3x5,6,6]3)	117.0530	0.000	1	117.0530	0.000	1	116.9890	0.006	4	116.9895	0.006	6	116.9895	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[4x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[4x5,6,6]-4:	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H)	H(C[4x5,6,6]C[3x5,6,6]3)	C[4x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,6]H)2(C[3x5,6,6]C[5,5,6]2H)(H){1|O<2>,3|C<3>,6|H<1>}	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[4x5,6,6]C[3x5,6,6]3)	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	116.9895	0.006	6	116.9895	0.006	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[4x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,3x5,6]-4:C[4x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[4x5,6,6]-4:C[4,3x5,6]-4:C[5,5,6]-4:C-3:	C[4x5,6,6]-4:	C[4x5,6,6](C[4,3x5,6]C[4,3x5,6,6]C[4,5]H)(C[4x5,6,6]C[4,3x5,6]C[5,5,6]C)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H)	C[4x5,6,6](C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]H)(C[4,3x5,6]C[4,3x5,6,6]C[4,5]C)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]C[4x5,6,6])	C[4x5,6,6](C[4,3x5,6]C[4,3x5,6,6]C[4,5]H)(C[4x5,6,6]C[4,3x5,6]C[5,5,6]C)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[4x5,6,6](C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]H)(C[4,3x5,6]C[4,3x5,6,6]C[4,5]C)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]C[4x5,6,6])	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[3x5,6]-4:C[3x5,6]-4:P[5,5]-3:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-3:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO)	H(C[4x5]C[3x5,6]2P[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H){1|Mo<6>,2|C<3>,5|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO){1|Mo<6>,4|C<4>}	H(C[4x5]C[3x5,6]2P[5,5])	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6]-4:C[3x5,6]-4:P[5,5]-3:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3)	H(C[4x5]C[3x5,6]2P[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H){1|Mo<6>,2|C<3>,5|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3){1|Mo<6>,1|C<3>,3|C<4>}	H(C[4x5]C[3x5,6]2P[5,5])	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:O[5,6]-2:H-1:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H)	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H)	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H){1|C<4>,6|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH)	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH){5|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H){1|Ru<11>,1|C<3>,2|C<4>,5|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	116.4330	0.032	2	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[4x5]-4:	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)	H(C[4x5]C[3x5,6]C[4x5,6]C[5,5])	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H){2|C<4>,5|H<1>}	H(C[4x5]C[3x5,6]C[4x5,6]C[5,5])	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	116.4330	0.032	2	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[3x5,6]	H	4:4:4:1:	6:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[5x3,6x5,21x6]-6:C[3,5,5,6]-4:C[4x5]-4:H-1:	C[4x5]-4:	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H)	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H)	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H){3|H<1>,6|B<6>}	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H){5|B<6>,9|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.7475	0.005	4	116.7475	0.000	4	116.7475	0.000	4	116.7475	0.000	4	115.8226	2.776	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[4x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-4:C[5]-4:	C[4x5]-4:	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H)	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[4x5]C[3x5,6]C[4x5,6]C[5,5])	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HH){10|H<1>,1|O<2>}	H(C[4x5]C[3x5,6]C[4x5,6]C[5,5])	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.4340	0.000	1	116.4340	0.000	1	116.5463	0.039	4	116.6020	0.045	5	116.6020	0.045	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.3250	0.000	1	116.3250	0.000	1	116.5463	0.039	4	116.6020	0.045	5	116.6020	0.045	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[4x5]-4:	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	H(C[4x5]C[3x5,6]2C[5,5])	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H){3|H<1>,6|B<6>}	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{2|C<6>,4|H<1>}	H(C[4x5]C[3x5,6]2C[5,5])	116.7130	0.000	2	116.7130	0.000	2	116.5463	0.039	4	116.6020	0.045	5	116.6020	0.045	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[4x5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[4x5]-4:C[3,5,5]-4:H-1:H-1:	C[4x5]-4:	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H)	C[5,5](C[4x5]C[3x5,6]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]2H)(H)2	H(C[4x5]C[3x5,6]C[4x5,6]C[5,5])	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[4x5]C[3x5,6]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]2H)(H)2{3|C<4>,3|H<1>}	H(C[4x5]C[3x5,6]C[4x5,6]C[5,5])	116.8250	0.000	1	116.8250	0.000	1	116.8250	0.000	1	116.6020	0.045	5	116.6020	0.045	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:H-1:	C[4,3x5,6]-4:C[5,5,3x6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H)	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H)	H(C[5,3x6]C[3x5,3x6]C[4,3x5,6]C[5,3x6])	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H){1|O<2>,6|C<4>,6|H<1>}	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,3x6]C[3x5,3x6]C[4,3x5,6]C[5,3x6])	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,5]-4:	C[5,3x6]-4:	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	H(C[5,3x6]C[3x5,6,6]C[4x6]N[5,6])	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[3x5,6,6]C[4x6]N[5,6])	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	110.5840	1.584	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C[5,5]-4:C[5]-3:	C[5,3x6]-4:	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H)	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5]O[5]2C)(C[5]C[5]O)	H(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H){2|C<3>,3|O<2>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5]O[5]2C)(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,4|O<2>}	H(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	110.5840	1.584	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	H(C[5,3x6]C[5,3x6]N[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	H(C[5,3x6]C[5,3x6]N[5,6,6]C[6,6])	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.6445	0.105	2	111.6445	0.011	2	111.6902	0.010	4	111.6902	0.010	4	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.7360	0.100	2	111.7360	0.010	2	111.6902	0.010	4	111.6902	0.010	4	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.7542	0.101	5	111.7542	0.010	5	111.7470	0.019	9	111.7470	0.019	9	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.8350	0.000	1	111.7380	0.037	4	111.7470	0.019	9	111.7470	0.019	9	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.5520	0.000	1	111.7380	0.037	4	111.7470	0.019	9	111.7470	0.019	9	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.7825	0.251	2	111.7380	0.037	4	111.7470	0.019	9	111.7470	0.019	9	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.7808	0.097	5	111.7808	0.009	5	111.7387	0.012	7	111.7362	0.012	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.6335	0.053	2	111.6335	0.003	2	111.7387	0.012	7	111.7362	0.012	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.8220	0.000	1	111.7320	0.019	4	111.7333	0.015	6	111.7362	0.012	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.7020	0.153	3	111.7320	0.019	4	111.7333	0.015	6	111.7362	0.012	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2O[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2O[5,6])	111.7360	0.137	2	111.7360	0.019	2	111.7333	0.015	6	111.7362	0.012	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[5,3x6]2C[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2C[5,6])	113.5730	0.181	2	113.5730	0.033	2	113.6022	0.015	4	113.6022	0.015	4	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[5,3x6]2C[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2C[5,6])	113.6315	0.101	2	113.6315	0.010	2	113.6022	0.015	4	113.6022	0.015	4	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:O[6]-2:O[5]-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5])	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	H(C[5,3x6]C[5,3x6]2C[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2C[5,6])	112.6035	0.414	2	112.6035	0.171	2	112.6035	0.171	2	112.6035	0.171	2	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2C[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2C[5,6])	114.6860	0.713	2	114.6860	0.508	2	114.1172	0.611	4	113.9540	0.430	6	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2C[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){4|C<4>,4|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2C[5,6])	113.5485	0.175	2	113.5485	0.031	2	114.1172	0.611	4	113.9540	0.430	6	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]2C[5,6])	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]2C[5,6])	113.6275	0.005	2	113.6275	0.000	2	113.6275	0.000	2	113.9540	0.430	6	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])	112.5538	0.230	4	112.5538	0.053	4	112.5538	0.053	4	112.5538	0.053	4	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.7426	0.020	5	109.7426	0.000	5	109.7999	0.010	7	109.8701	0.016	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.9430	0.031	2	109.9430	0.001	2	109.7999	0.010	7	109.8701	0.016	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.8883	0.096	3	109.9010	0.007	4	109.9520	0.011	6	109.8701	0.016	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.9390	0.000	1	109.9010	0.007	4	109.9520	0.011	6	109.8701	0.016	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0540	0.075	2	110.0540	0.006	2	109.9520	0.011	6	109.8701	0.016	13	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	107.2080	0.273	2	107.2080	0.074	2	108.5403	2.395	4	109.0357	2.026	6	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.8725	0.108	2	109.8725	0.012	2	108.5403	2.395	4	109.0357	2.026	6	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0265	0.029	2	110.0265	0.001	2	110.0265	0.001	2	109.0357	2.026	6	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0384	0.132	5	110.0384	0.017	5	110.0384	0.017	5	110.1243	0.023	9	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.1985	0.062	2	110.2318	0.010	4	110.2318	0.010	4	110.1243	0.023	9	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.2650	0.148	2	110.2318	0.010	4	110.2318	0.010	4	110.1243	0.023	9	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-3:N[5]-3:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[3x5,3x6]C[4,3x5,6]C[5,3x6])	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H){1|O<2>,6|C<4>,6|H<1>}	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5,3x6]C[3x5,3x6]C[4,3x5,6]C[5,3x6])	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,3x5,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[5,3x6]C[6,6])	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,2|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<4>,5|C<3>,5|H<1>}	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	108.0310	0.000	1	108.0310	0.000	1	107.7500	0.158	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,2|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	107.4690	0.000	1	107.4690	0.000	1	107.7500	0.158	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.7070	0.000	1	108.6930	0.000	2	109.7883	2.317	8	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.6790	0.000	1	108.6930	0.000	2	109.7883	2.317	8	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.9400	0.000	1	108.9595	0.001	2	109.7883	2.317	8	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.9790	0.000	1	108.9595	0.001	2	109.7883	2.317	8	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){2|Cl<1>,2|H<1>,2|O<2>,4|C<3>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){2|Cl<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	110.7502	1.707	4	110.7502	2.915	4	109.7883	2.317	8	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	112.0380	0.035	2	112.0380	0.001	2	112.0380	0.001	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.9170	0.000	1	109.4550	0.427	2	109.4550	0.427	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	108.9930	0.000	1	109.4550	0.427	2	109.4550	0.427	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	111.9740	0.000	1	114.1160	9.176	2	114.1160	9.176	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	116.2580	0.000	1	114.1160	9.176	2	114.1160	9.176	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[6,6])	109.3935	0.045	2	109.3935	0.002	2	109.3935	0.002	2	110.4402	4.675	20	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:C[6]-3:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[5,3x6]C[5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	H(C[5,3x6]C[5,3x6]C[5,4x6]C[6,6])	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.1197	2.819	96	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,4x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,4x6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H)	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	H(C[5,3x6]C[5,4x6]C[6,6]N[5,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,7|H<1>}	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,3x6]C[5,4x6]C[6,6]N[5,6])	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	108.7638	10.237	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	105.5635	0.240	2	105.5635	0.057	2	105.5635	0.057	2	105.5635	0.057	2	108.7638	10.237	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	108.7638	10.237	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	106.2410	0.000	1	106.2410	0.000	1	106.2650	0.001	2	106.2650	0.001	2	108.7638	10.237	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	106.2890	0.000	1	106.2890	0.000	1	106.2650	0.001	2	106.2650	0.001	2	108.7638	10.237	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[5,3x6]C[5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,3x6]C[5,3x6]C[5,4x6]C[6,6])	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.3240	0.029	2	108.7638	10.237	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	111.2030	0.000	1	111.2030	0.000	1	111.2030	0.000	1	111.3240	0.029	2	108.7638	10.237	8	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,3x6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	H(C[5,3x6]C[5,5,3x6]C[4x6]N[5,6])	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[5,5,3x6]C[4x6]N[5,6])	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	110.6515	0.612	2	110.6515	0.374	2	110.6515	0.374	2	110.6515	0.374	2	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	105.5750	0.269	2	105.9235	0.188	4	105.9235	0.188	4	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	106.2210	0.000	1	105.9235	0.188	4	105.9235	0.188	4	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,4x6]C[6,6])	106.3230	0.000	1	105.9235	0.188	4	105.9235	0.188	4	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH)	H(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])	109.4640	0.000	2	109.4640	0.000	2	109.4640	0.000	2	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[4,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,4|C<4>,8|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.3303	0.207	3	111.3303	0.043	3	111.3303	0.043	3	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	110.7725	0.046	2	110.5907	0.046	4	110.5907	0.046	4	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	110.4090	0.062	2	110.5907	0.046	4	110.5907	0.046	4	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.0435	0.101	2	111.0435	0.010	2	111.0435	0.010	2	109.5205	4.977	16	109.6361	4.296	19	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[5,3x6]C[5,5,4x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){5|C<4>,8|H<1>}	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	H(C[5,3x6]C[5,5,4x6]C[5,6]C[6,6])	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[4x6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6a]C[4x6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6a]C[4x6])	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.3760	0.020	2	110.3760	0.000	2	110.4462	0.007	4	110.3992	0.016	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.4930	0.000	1	110.4930	0.000	1	110.4462	0.007	4	110.3992	0.016	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.5400	0.000	1	110.5400	0.000	1	110.4462	0.007	4	110.3992	0.016	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.3992	0.016	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:N[5,5]-3:C[5]-3:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[5,5]-3:C[6,6]-3:C[5]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){3|C<4>,3|O<1>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.7385	0.059	2	111.7385	0.003	2	111.7385	0.003	2	111.7385	0.003	2	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H){10|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	110.2520	0.000	1	110.2520	0.000	1	109.4010	1.448	2	110.3476	1.152	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	H(C[5,3x6]C[5,5,6,6]C[4x6]N[5,6])	108.5500	0.000	1	108.5500	0.000	1	109.4010	1.448	2	110.3476	1.152	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	110.8195	0.144	2	110.8195	0.021	2	110.8195	0.021	2	110.3476	1.152	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:N[5,5]-3:C[5]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	110.3476	1.152	5	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])	112.4765	0.203	4	112.4765	0.041	4	112.4765	0.041	4	111.9112	0.806	6	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])	110.7805	0.262	2	110.7805	0.069	2	110.7805	0.069	2	111.9112	0.806	6	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	111.5130	0.000	2	111.5130	0.000	2	110.9860	0.394	4	110.9860	0.394	4	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	110.4590	0.267	2	110.4590	0.071	2	110.9860	0.394	4	110.9860	0.394	4	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6,6]-4:N[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H)	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)	H(C[5,3x6]C[5,5,6,6]C[3x6]N[5,6])	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H){11|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	H(C[5,3x6]C[5,5,6,6]C[3x6]N[5,6])	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H)	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H){10|H<1>,2|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,3x6]C[6,6])	109.3955	0.042	2	109.3955	0.002	2	109.3955	0.002	2	109.7280	0.169	4	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	110.2380	0.000	1	110.2380	0.000	1	110.0605	0.063	2	109.7280	0.169	4	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|F<1>,2|C<4>,2|O<2>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	109.8830	0.000	1	109.8830	0.000	1	110.0605	0.063	2	109.7280	0.169	4	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH){2|C<3>,3|C<4>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	110.8334	1.073	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){2|Cl<1>,2|H<1>,2|O<2>,4|C<3>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	105.6103	1.577	4	105.6103	2.486	4	105.6103	2.486	4	106.5974	6.737	5	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H)	H(C[5,3x6]C[5,5,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H){2|O<2>,5|H<1>,6|C<4>}	H(C[5,3x6]C[5,5,6]C[5,5x6]C[6,6])	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	106.5974	6.737	5	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,2|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,3|C<3>,4|H<1>}	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	108.0470	0.000	1	108.0470	0.000	1	107.7490	0.178	2	108.4735	0.367	6	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<3>,2|N<3>,4|H<1>}	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	107.4510	0.000	1	107.4510	0.000	1	107.7490	0.178	2	108.4735	0.367	6	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.7360	0.000	1	108.6935	0.004	2	108.8357	0.028	4	108.4735	0.367	6	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.6510	0.000	1	108.6935	0.004	2	108.8357	0.028	4	108.4735	0.367	6	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.9720	0.000	1	108.9780	0.000	2	108.8357	0.028	4	108.4735	0.367	6	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,5,6]C[3x6])	108.9840	0.000	1	108.9780	0.000	2	108.8357	0.028	4	108.4735	0.367	6	107.6207	3.838	11	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5x6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,3x6]-4:	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	H(C[5,3x6]C[5,5x6]C[5,6]O[6,6])	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	H(C[5,3x6]C[5,5x6]C[5,6]O[6,6])	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.3432	0.841	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	H(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])	109.4390	0.000	2	109.4390	0.000	2	109.4390	0.000	2	110.3148	0.953	8	110.3432	0.841	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	111.4330	0.000	2	111.4330	0.000	2	110.6156	1.155	5	110.3148	0.953	8	110.3432	0.841	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	110.7005	0.117	2	110.7005	0.014	2	110.6156	1.155	5	110.3148	0.953	8	110.3432	0.841	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,5x6]C[6,6])	108.8110	0.000	1	108.8110	0.000	1	110.6156	1.155	5	110.3148	0.953	8	110.3432	0.841	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	H(C[5,3x6]C[5,5,6]C[5,5x6]C[6,6])	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6]C[5,5x6]C[6,6])	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	110.3148	0.953	8	110.3432	0.841	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	110.7013	0.336	3	110.7013	0.113	3	110.7013	0.113	3	110.7500	0.085	4	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H)	H(C[5,3x6]C[6,6,6a]C[5,6,6]2)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,3x6]C[6,6,6a]C[5,6,6]2)	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	110.7500	0.085	4	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	110.6000	0.153	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	H(C[5,3x6]C[6,6,6a]C[5,6,6]2)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[6,6,6a]C[5,6,6]2)	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	110.6000	0.153	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H)	H(C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H){2|C<4>,7|H<1>}	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])	110.5687	0.097	3	110.5687	0.009	3	110.5687	0.009	3	110.5687	0.009	3	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	H(C[5,3x6]C[5,6,6]C[5,6]N[4x6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,3x6]C[5,6,6]C[5,6]N[4x6])	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.4530	0.000	1	110.4115	0.013	4	110.3612	0.022	5	110.3612	0.022	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.3200	0.021	2	110.4115	0.013	4	110.3612	0.022	5	110.3612	0.022	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.5530	0.000	1	110.4115	0.013	4	110.3612	0.022	5	110.3612	0.022	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.1600	0.000	1	110.1600	0.000	1	110.3612	0.022	5	110.3612	0.022	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.1140	0.038	2	111.1140	0.001	2	111.1140	0.001	2	111.1140	0.001	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.4000	0.000	1	111.4000	0.000	1	111.4775	0.012	2	111.4775	0.012	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.5550	0.000	1	111.5550	0.000	1	111.4775	0.012	2	111.4775	0.012	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:3:2:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.4260	0.000	1	111.4260	0.000	1	111.4260	0.000	1	111.4260	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	H(C[5,3x6]C[5,6,6]2N[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,3x6]C[5,6,6]2N[6,6])	110.2150	0.000	1	110.2150	0.000	1	110.3895	0.061	2	110.3895	0.061	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	H(C[5,3x6]C[5,6,6]2N[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,6,6]2N[6,6])	110.5640	0.000	1	110.5640	0.000	1	110.3895	0.061	2	110.3895	0.061	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:O-2:	C[5,3x6]-4:	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH)	H(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H){2|C<3>,3|O<2>,5|C<4>}	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH){2|C<3>,3|C<4>,3|O<2>}	H(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	110.8205	0.146	2	110.8205	0.021	2	110.8205	0.021	2	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.2700	0.063	3	109.4938	0.203	4	109.4938	0.203	4	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	110.1650	0.000	1	109.4938	0.203	4	109.4938	0.203	4	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.0400	0.000	1	111.0400	0.000	1	111.2345	0.076	2	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<2>,5|C<3>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.4290	0.000	1	111.4290	0.000	1	111.2345	0.076	2	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:Br-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br)	H(C[5,3x6]C[5,6,6]2N[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br){1|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,6,6]2N[6,6])	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H)	H(C[5,3x6]C[5,6,6]2N[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,6,6]2N[6,6])	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.4122	0.750	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H){2|H<1>,6|C<3>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.2330	0.000	1	111.5957	0.099	3	111.5957	0.099	3	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){3|C<4>,3|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.7770	0.006	2	111.5957	0.099	3	111.5957	0.099	3	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.9020	0.110	2	109.9020	0.012	2	109.8240	0.024	3	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.6680	0.000	1	109.6680	0.000	1	109.8240	0.024	3	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.4560	0.000	1	111.4560	0.000	1	111.3307	0.058	4	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.6060	0.000	1	111.6060	0.000	1	111.3307	0.058	4	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.1305	0.042	2	111.1305	0.002	2	111.3307	0.058	4	111.0160	0.642	11	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:2:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH){1|C<3>,3|O<2>,4|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	109.8710	0.091	4	109.8710	0.008	4	109.8710	0.008	4	109.9554	0.042	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	109.9554	0.042	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.8952	0.006	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5]-3:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,3x6]C[5,6,6]2C[6,6])	109.8830	0.084	4	109.8830	0.007	4	109.8830	0.007	4	109.8952	0.006	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	112.3680	0.000	1	112.3680	0.000	1	112.4965	0.033	2	112.4965	0.033	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	112.6250	0.000	1	112.6250	0.000	1	112.4965	0.033	2	112.4965	0.033	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	109.8660	0.000	1	109.8660	0.000	1	110.1380	0.148	2	110.1380	0.148	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	110.4100	0.000	1	110.4100	0.000	1	110.1380	0.148	2	110.1380	0.148	2	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6,6]-4:C[3,6,6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[3x5,6,6]CH)(H)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H)	H(C[5,3x6]C[4,5,5,6,6]C[3,6,6]C[5,6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[3,6,6]C[5,6,6])	112.1510	0.219	2	112.1510	0.048	2	112.1510	0.048	2	111.7858	0.812	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6,6]-4:C[4,6,6]-4:C[5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H)	H(C[5,3x6]C[4,5,5,6,6]C[4,6,6]C[5,6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[4,6,6]C[5,6,6])	112.4980	0.000	1	112.4980	0.000	1	112.4980	0.000	1	111.7858	0.812	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	H(C[5,3x6]C[4,5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[5,6,6]C[6,6])	111.8970	0.000	1	111.8970	0.000	1	111.8970	0.000	1	111.7858	0.812	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H)	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H){2|Cl<1>,4|C<4>,5|H<1>}	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	111.7858	0.812	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6]-4:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.0630	0.000	1	109.1000	0.003	2	109.1000	0.003	2	109.3028	0.069	4	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6]-4:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.1370	0.000	1	109.1000	0.003	2	109.1000	0.003	2	109.3028	0.069	4	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.5055	0.199	2	109.5055	0.039	2	109.5055	0.039	2	109.3028	0.069	4	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	H(C[5,3x6]C[4,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,6,6]C[6,6])	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	110.2132	1.486	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	110.2132	1.486	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	110.2132	1.486	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	110.2132	1.486	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2132	1.486	5	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	H(C[5,3x6]C[5,4x6]C[5,6,6]C[6,6])	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	110.6014	0.736	82	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	110.9397	0.814	3	110.9397	0.662	3	110.9397	0.662	3	110.9397	0.662	3	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2	H(C[5,3x6]C[5,6,6]C[5,6]N[4x6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,3x6]C[5,6,6]C[5,6]N[4x6])	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,3x6]C[5,5x6]C[5,6]O[6,6])	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,3x6]C[5,5x6]C[5,6]O[6,6])	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,3x6]C[3x6]C[5,6])	111.4770	0.692	2	111.4770	0.478	2	111.4770	0.478	2	110.4755	1.504	4	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.4740	0.147	2	109.4740	0.022	2	109.4740	0.022	2	110.4755	1.504	4	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	112.0345	0.040	2	112.0345	0.002	2	112.0345	0.002	2	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	110.8225	0.088	2	110.6197	0.059	4	111.3733	2.303	7	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,5|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	110.4170	0.065	2	110.6197	0.059	4	111.3733	2.303	7	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	112.9130	2.574	2	112.9130	6.625	2	111.3733	2.303	7	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.3080	0.000	1	111.3080	0.000	1	111.3733	2.303	7	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.3113	0.231	3	111.3113	0.053	3	111.2158	0.044	5	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])	111.0725	0.022	2	111.0725	0.000	2	111.2158	0.044	5	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	H(C[5,3x6]C[5,5,4x6]C[5,6]C[6,6])	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){5|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<4>,3|H<1>,5|C<4>}	H(C[5,3x6]C[5,5,4x6]C[5,6]C[6,6])	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]N[5,6,6]C[3x6]C[5,6])	112.6177	1.795	3	112.6177	3.221	3	112.6177	3.221	3	111.6215	1.471	18	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6]-4:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	109.1050	0.007	2	109.1050	0.000	2	109.1050	0.000	2	109.1050	0.000	2	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H)	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	H(C[5,3x6]C[5,6,6]C[4x6]C[5,6])	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C-4:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[5,3x6]C[5,3x6]C[4x6]C[5,6])	111.6250	0.000	1	111.6250	0.000	1	111.6250	0.000	1	111.6250	0.000	1	111.0689	1.792	31	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[5,4x6]-4:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H)	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){2|C<4>,3|O<2>,5|H<1>}	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H){4|C<4>,5|H<1>}	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	111.9090	0.000	1	111.9090	0.000	1	111.9595	0.005	2	111.9595	0.005	2	111.9595	0.005	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[5,4x6]-4:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H)	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	112.0100	0.000	1	112.0100	0.000	1	111.9595	0.005	2	111.9595	0.005	2	111.9595	0.005	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,4x6]C[5,3x6]2C[4x6])	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,4x6]C[5,3x6]2C[4x6])	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	112.8410	0.000	2	112.8410	0.000	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,6,6]-4:C[5,4x6]-4:C[6,6]-4:Cl-1:	C[5,4x6]-4:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl)	H(C[5,4x6]C[5,3x6]2C[4x6])	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	H(C[5,4x6]C[5,3x6]2C[4x6])	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	112.8410	0.000	2	112.8410	0.000	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:O[5,6]-2:H-1:	C[5,4x6]-4:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H)	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9450	0.003	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,4x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[5,4x6]-4:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){2|C<4>,3|O<2>,5|H<1>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	H(C[5,4x6]C[3x5,3x6]C[5,5,3x6]C[6,6])	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	111.9450	0.003	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,4x6]-4:O[5,6]-2:H-1:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H)	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H)	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]O[5,6])	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H){1|O<2>,4|C<4>,4|H<1>}	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H){4|C<4>,5|H<1>}	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]O[5,6])	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	113.2500	2.228	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H)	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]C[5,6])	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]C[5,6])	114.4840	0.000	1	114.4840	0.000	1	114.4840	0.000	1	113.0375	4.185	2	113.2500	2.228	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:H-1:	C[4,3x5,6]-4:C[5,5,3x6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H)	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]C[6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]C[6,6])	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	113.0375	4.185	2	113.2500	2.228	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[5,5,3x6]-4:C[4,3x5]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H)	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	112.0570	0.000	1	112.0570	0.000	1	112.1785	0.030	2	111.7827	0.113	6	111.7827	0.113	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[5,5,3x6]-4:C[4,3x5]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H)	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	112.3000	0.000	1	112.3000	0.000	1	112.1785	0.030	2	111.7827	0.113	6	111.7827	0.113	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[3,6,6]-4:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[3,6,6]C[3,6,6]C[3]H)(H)	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[3,6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[3,6,6]C[3,6,6]C[3]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[3,6,6])	111.7030	0.066	2	111.7030	0.004	2	111.7030	0.004	2	111.7827	0.113	6	111.7827	0.113	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[4,6,6]-4:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[4,6,6]C[4,6,6]C[4]H)(H)	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[4,6,6]C[4,6,6]C[4]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,6,6])	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	111.7827	0.113	6	111.7827	0.113	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H)	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[6,6])	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	111.7827	0.113	6	111.7827	0.113	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.0930	0.000	1	113.1205	0.002	2	113.0485	0.010	4	113.0485	0.010	4	113.0485	0.010	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.1480	0.000	1	113.1205	0.002	2	113.0485	0.010	4	113.0485	0.010	4	113.0485	0.010	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	112.9180	0.000	1	112.9180	0.000	1	113.0485	0.010	4	113.0485	0.010	4	113.0485	0.010	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.0350	0.000	1	113.0350	0.000	1	113.0485	0.010	4	113.0485	0.010	4	113.0485	0.010	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4x5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[4x5,3x6]-4:C[4x5,3x6]-4:C[5,5,3x6]-4:C[3x5,6,6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[4x5,3x6]C[3x5,6,6]C[5,5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|H<1>,9|C<4>}	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[4x5,3x6]C[3x5,6,6]C[5,5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H){11|C<4>,8|H<1>}	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	113.8520	0.024	2	113.8520	0.001	2	113.8520	0.001	2	113.7900	0.006	4	113.7900	0.006	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4x5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[3x5,6,6]-4:C[3x5,6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H)	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|C<4>,9|H<1>}	C[4x5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[5,5,3x6])(C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]H)(C[3x5,6]C[3x5,6,6]C[3x5,6]H){7|H<1>,9|C<4>}	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	113.7280	0.028	2	113.7280	0.001	2	113.7280	0.001	2	113.7900	0.006	4	113.7900	0.006	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.0390	0.000	1	113.1150	0.012	2	113.1150	0.012	2	113.0983	0.007	3	113.0422	0.017	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.1910	0.000	1	113.1150	0.012	2	113.1150	0.012	2	113.0983	0.007	3	113.0422	0.017	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	113.0983	0.007	3	113.0422	0.017	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,3x6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:N-3:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH){1|O<1>,4|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	113.0422	0.017	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,4x6]-4:O[5,6]-2:H-1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]O[5,6])	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H){1|O<2>,4|C<4>,4|H<1>}	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]O[5,6])	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	114.0780	0.325	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]C[5,6])	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){2|C<4>,3|O<2>,5|H<1>}	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]C[5,6])	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	114.0780	0.325	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|H<1>,9|C<4>}	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	113.8700	0.000	1	113.8700	0.000	1	113.7943	0.005	3	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|C<4>,9|H<1>}	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	113.7565	0.033	2	113.7565	0.001	2	113.7943	0.005	3	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.1760	0.000	1	113.1760	0.000	1	113.0542	0.016	4	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.0970	0.000	1	113.0970	0.000	1	113.0542	0.016	4	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	112.8800	0.000	1	112.8800	0.000	1	113.0542	0.016	4	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,3x6]C[5,5,3x6]C[3x5,6]C[5,3x6])	113.0640	0.000	1	113.0640	0.000	1	113.0542	0.016	4	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|I<1>,2|C<3>,4|C<4>,8|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,1|I<1>,4|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	113.7885	0.146	2	113.7885	0.021	2	114.0778	0.034	9	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){2|C<3>,4|C<4>,9|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	114.1604	0.077	7	114.1604	0.006	7	114.0778	0.034	9	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:I-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|I<1>,2|C<3>,4|C<4>,8|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	113.8105	0.107	2	113.8105	0.011	2	113.8105	0.011	2	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|H<1>,9|C<4>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	113.0160	0.000	1	113.0160	0.000	1	113.0353	0.001	3	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|C<4>,9|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	113.0450	0.041	2	113.0450	0.002	2	113.0353	0.001	3	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,1|I<1>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|I<1>,2|C<3>,4|C<4>,8|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	112.8245	0.111	2	112.8245	0.012	2	112.9150	0.007	10	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){2|C<3>,4|C<4>,9|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	112.9376	0.061	8	112.9376	0.004	8	112.9150	0.007	10	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	113.0520	0.042	4	113.0520	0.002	4	112.9566	0.009	13	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,1|I<1>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,1|I<1>,4|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	112.8310	0.113	2	112.9142	0.007	9	112.9566	0.009	13	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	112.9380	0.062	7	112.9142	0.007	9	112.9566	0.009	13	113.2867	0.248	44	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH)	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){10|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	113.8250	0.000	2	113.8250	0.000	2	114.0007	0.093	3	114.0007	0.093	3	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH)	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	114.3520	0.000	1	114.3520	0.000	1	114.0007	0.093	3	114.0007	0.093	3	113.3322	0.267	47	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|H<1>,9|C<4>}	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2{4|H<1>,6|C<4>}	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	113.8660	0.017	2	113.8660	0.000	2	113.8173	0.004	4	113.9572	0.038	10	113.9572	0.038	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|C<4>,9|H<1>}	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2{4|H<1>,6|C<4>}	H(C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]C[5,5,4x6])	113.7685	0.047	2	113.7685	0.002	2	113.8173	0.004	4	113.9572	0.038	10	113.9572	0.038	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|I<1>,2|C<3>,4|C<4>,8|H<1>}	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2{2|I<1>,4|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	113.8085	0.103	2	113.8085	0.011	2	114.0505	0.040	6	113.9572	0.038	10	113.9572	0.038	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){2|C<3>,4|C<4>,9|H<1>}	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2{4|C<4>,6|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,4x6])	114.1715	0.068	4	114.1715	0.005	4	114.0505	0.040	6	113.9572	0.038	10	113.9572	0.038	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H){3|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	H(C[5,5,3x6]C[5,5,6,6]3)	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	112.9325	0.060	2	112.9325	0.004	2	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.0123	0.766	3	113.0123	0.587	3	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.5110	0.000	1	113.2555	0.031	4	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.1525	0.053	2	113.2555	0.031	4	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,3|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.2060	0.000	1	113.2555	0.031	4	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|S<2>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,3x6]C[5,5,6,6]3)	112.6490	0.000	1	112.6490	0.000	1	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.5060	0.000	1	113.2643	0.027	4	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.1835	0.049	2	113.2643	0.027	4	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,3|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.1840	0.000	1	113.2643	0.027	4	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|S<2>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	112.6880	0.000	1	112.6880	0.000	1	113.0879	0.143	15	113.0879	0.143	15	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H){3|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){10|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	113.8030	0.000	2	114.4613	0.660	4	114.4613	0.660	4	114.4613	0.660	4	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	115.1195	0.496	2	114.4613	0.660	4	114.4613	0.660	4	114.4613	0.660	4	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.4930	0.000	1	113.4930	0.000	1	113.5150	0.001	2	113.5150	0.001	2	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.5370	0.000	1	113.5370	0.000	1	113.5150	0.001	2	113.5150	0.001	2	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	112.9700	0.047	2	112.9700	0.002	2	112.9978	0.280	5	112.9978	0.280	5	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	112.8825	1.005	2	113.0163	0.559	3	112.9978	0.280	5	112.9978	0.280	5	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.2840	0.000	1	113.0163	0.559	3	112.9978	0.280	5	112.9978	0.280	5	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	113.0313	0.020	3	113.0313	0.000	3	112.9367	0.010	10	112.9367	0.010	10	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,1|I<1>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	112.8405	0.172	2	112.8961	0.009	7	112.9367	0.010	10	112.9367	0.010	10	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	H(C[5,5,3x6]C[5,5,3x6]2C[5,5,6,6])	112.9184	0.060	5	112.8961	0.009	7	112.9367	0.010	10	112.9367	0.010	10	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.4550	0.000	1	113.4550	0.000	1	113.1758	0.102	6	113.2007	0.274	12	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.2713	0.206	3	113.1200	0.104	5	113.1758	0.102	6	113.2007	0.274	12	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|S<2>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,3x6]C[5,5,6,6]3)	112.6100	0.000	1	113.1200	0.104	5	113.1758	0.102	6	113.2007	0.274	12	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,3|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.1760	0.000	1	113.1200	0.104	5	113.1758	0.102	6	113.2007	0.274	12	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,3x6]C[5,5,6,6]3)	112.9885	0.069	2	113.0156	0.294	5	113.2255	0.500	6	113.2007	0.274	12	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,3x6]C[5,5,6,6]3)	113.0337	0.765	3	113.0156	0.294	5	113.2255	0.500	6	113.2007	0.274	12	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,3x6]C[5,5,6,6]3)	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H){3|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){1|H<1>,5|C<3>}	H(C[5,5,3x6]C[5,5,6,6]3)	114.2750	0.000	1	114.2750	0.000	1	113.2255	0.500	6	113.2007	0.274	12	113.1497	0.406	50	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){10|H<1>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	113.9170	0.000	2	114.2390	0.251	4	114.2390	0.251	4	114.2390	0.251	4	114.2390	0.251	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>}	H(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,6,6])	114.5610	0.581	2	114.2390	0.251	4	114.2390	0.251	4	114.2390	0.251	4	114.2390	0.251	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:O[5,6]-2:O-2:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H)	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]C[5,6])	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H){2|H<1>,4|C<4>}	H(C[5,5,3x6]C[3x5,3x6]C[5,4x6]C[5,6])	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[4x5,3x6]-4:C[3x5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H)	H(C[5,5,6,6]C[3x5,6,6]2C[6,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H){5|H<1>,9|C<4>}	H(C[5,5,6,6]C[3x5,6,6]2C[6,6])	112.5475	0.019	2	112.5475	0.000	2	112.5475	0.000	2	113.4805	2.808	6	113.4805	2.808	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[4x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H)	H(C[5,5,6,6]C[3x5,6,6]2C[6,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H){7|C<4>,7|H<1>}	H(C[5,5,6,6]C[3x5,6,6]2C[6,6])	112.5450	0.010	2	112.5450	0.000	2	112.5450	0.000	2	113.4805	2.808	6	113.4805	2.808	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H)	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H){4|C<4>,6|H<1>}	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H){2|C<4>,9|H<1>}	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	113.4805	2.808	6	113.4805	2.808	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H)	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,4|H<1>}	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H){11|H<1>,3|C<4>}	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	116.6840	0.000	1	116.6840	0.000	1	116.6840	0.000	1	113.4805	2.808	6	113.4805	2.808	6	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	111.9835	0.087	2	111.9835	0.008	2	111.9747	0.004	3	111.9747	0.004	3	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	111.9570	0.000	1	111.9570	0.000	1	111.9747	0.004	3	111.9747	0.004	3	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.3495	0.336	2	113.3495	0.113	2	113.3495	0.113	2	113.3495	0.113	2	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[3,5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|H<1>,5|C<4>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.6450	0.000	1	113.7915	0.043	2	113.7915	0.043	2	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[3,5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|H<1>,4|C<4>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9380	0.000	1	113.7915	0.043	2	113.7915	0.043	2	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8750	0.451	2	113.8750	0.204	2	113.9705	0.043	23	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9050	0.000	1	113.9448	0.021	18	113.9705	0.043	23	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9150	0.000	1	113.9448	0.021	18	113.9705	0.043	23	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9724	0.092	10	113.9448	0.021	18	113.9705	0.043	23	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9105	0.229	6	113.9448	0.021	18	113.9705	0.043	23	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9985	0.021	2	113.9985	0.000	2	113.9705	0.043	23	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	114.5670	0.000	1	114.5670	0.000	1	113.9705	0.043	23	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.5440	0.000	1	113.6970	0.047	2	113.6970	0.047	2	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8500	0.000	1	113.6970	0.047	2	113.6970	0.047	2	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H){2|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.7340	0.000	1	113.7340	0.000	1	113.7797	0.003	3	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|O<2>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8420	0.000	1	113.8025	0.003	2	113.7797	0.003	3	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|S<2>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.7630	0.000	1	113.8025	0.003	2	113.7797	0.003	3	113.9212	0.045	30	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[3,5,6]-4:C[5,6,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H)	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3)	H(C[5,5,6,6]C[3,5,6]C[3x5,6]C[5,6,6])	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H){3|C<4>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6,6]C[3,5,6]C[3x5,6]C[5,6,6])	116.5175	0.095	2	116.5175	0.009	2	116.5175	0.009	2	116.5175	0.009	2	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:N[3x5,6]-3:O[5,6]-2:C[6a]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,7|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	112.2850	0.000	1	112.2850	0.000	1	112.6265	0.233	2	112.6265	0.233	2	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,5|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	112.9680	0.000	1	112.9680	0.000	1	112.6265	0.233	2	112.6265	0.233	2	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)	H(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6,6]C[5,3x6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])	112.8287	0.106	4	112.8287	0.011	4	112.8287	0.011	4	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H){1|O<1>,4|H<1>,5|C<4>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	112.7750	0.000	1	112.7750	0.000	1	112.9108	0.044	4	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.0090	0.000	1	113.0825	0.011	2	112.9108	0.044	4	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.1560	0.000	1	113.0825	0.011	2	112.9108	0.044	4	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	112.7030	0.000	1	112.7030	0.000	1	112.9108	0.044	4	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H){5|C<4>,7|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	116.5920	0.000	1	116.5920	0.000	1	112.8627	1.159	15	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.3665	0.063	2	112.5446	0.070	13	112.8627	1.159	15	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<1>,2|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.2350	0.000	1	112.5446	0.070	13	112.8627	1.159	15	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<2>,3|C<4>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.5112	0.179	10	112.5446	0.070	13	112.8627	1.159	15	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H){3|C<4>,6|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.2680	0.000	1	113.2680	0.000	1	112.8627	1.159	15	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H)	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.8461	0.722	24	113.4073	1.205	66	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[4x5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[4,4x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-3:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH)	H(C[5,5,6,6]C[4x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH){1|O<2>,2|C<4>,7|H<1>}	H(C[5,5,6,6]C[4x5,6]C[5,6,6]C[5,6])	114.6290	0.000	1	114.6290	0.000	1	114.6290	0.000	1	114.6290	0.000	1	114.6290	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	111.6780	0.000	2	111.6780	0.000	2	112.1630	0.320	4	112.1630	0.320	4	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	112.6480	0.141	2	112.6480	0.020	2	112.1630	0.320	4	112.1630	0.320	4	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,3x6]-4:P[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H)	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO)	H(C[5,5,6,6]C[5,3x6]P[5,5,6]C[5,6])	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO){2|C<3>,2|H<1>,2|O<2>,2|W<6>,3|C<4>}	H(C[5,5,6,6]C[5,3x6]P[5,5,6]C[5,6])	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,5]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	H(C[5,5,6,6]C[5,5,6,6]C[5,3x6]N[5,5])	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H){10|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,3x6]N[5,5])	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[4x6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.5250	0.253	2	113.5250	0.064	2	113.3743	0.064	4	113.3422	0.053	5	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.0890	0.000	1	113.0890	0.000	1	113.3743	0.064	4	113.3422	0.053	5	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.3580	0.000	1	113.3580	0.000	1	113.3743	0.064	4	113.3422	0.053	5	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	113.3422	0.053	5	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	H(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])	112.8427	0.060	3	112.8427	0.004	3	112.8427	0.004	3	113.1454	0.198	5	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.5995	0.313	2	113.5995	0.098	2	113.5995	0.098	2	113.1454	0.198	5	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5,6])	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H){10|H<1>,2|C<4>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5,6])	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	112.6260	0.099	3	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	112.4930	0.000	1	112.4930	0.000	1	112.4460	0.004	2	112.6260	0.099	3	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|F<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	112.3990	0.000	1	112.3990	0.000	1	112.4460	0.004	2	112.6260	0.099	3	112.9691	0.742	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH)	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	111.6200	0.000	2	111.6200	0.000	2	111.9885	0.255	4	111.9885	0.255	4	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH)	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[5,3x6])	112.3570	0.471	2	112.3570	0.222	2	111.9885	0.255	4	111.9885	0.255	4	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[4x5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	115.7343	0.013	3	115.7343	0.000	3	115.8423	0.010	11	115.7913	0.025	13	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,1|I<1>,4|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	116.0095	0.046	2	115.8828	0.008	8	115.8423	0.010	11	115.7913	0.025	13	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	115.8405	0.046	6	115.8828	0.008	8	115.8423	0.010	11	115.7913	0.025	13	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:I-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H){1|I<1>,3|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,4x6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(I){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	115.5110	0.076	2	115.5110	0.006	2	115.5110	0.006	2	115.7913	0.025	13	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	113.1240	0.000	1	113.1240	0.000	1	112.9128	0.028	6	113.0340	0.479	12	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.9537	0.127	3	112.8706	0.022	5	112.9128	0.028	6	113.0340	0.479	12	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|S<2>,2|C<3>,7|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.7020	0.000	1	112.8706	0.022	5	112.9128	0.028	6	113.0340	0.479	12	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,3|C<3>,7|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.7900	0.000	1	112.8706	0.022	5	112.9128	0.028	6	113.0340	0.479	12	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,8|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.7695	0.005	2	112.7770	0.165	5	113.1552	0.990	6	113.0340	0.479	12	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.7820	0.575	3	112.7770	0.165	5	113.1552	0.990	6	113.0340	0.479	12	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){1|H<1>,5|C<3>}	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H){3|H<1>,6|C<3>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	115.0460	0.000	1	115.0460	0.000	1	113.1552	0.990	6	113.0340	0.479	12	114.1258	2.677	29	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	111.9800	0.085	2	111.9800	0.007	2	111.9707	0.004	3	111.9707	0.004	3	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]O[5,6])	111.9520	0.000	1	111.9520	0.000	1	111.9707	0.004	3	111.9707	0.004	3	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	114.0145	0.047	2	114.0145	0.002	2	114.1910	0.095	3	114.1910	0.095	3	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	114.5440	0.000	1	114.5440	0.000	1	114.1910	0.095	3	114.1910	0.095	3	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H)	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	H(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H){2|Si<4>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.2885	0.315	2	113.2885	0.099	2	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.6540	0.000	1	113.7965	0.041	2	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9390	0.000	1	113.7965	0.041	2	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.5830	0.000	1	113.6950	0.025	2	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8070	0.000	1	113.6950	0.025	2	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8260	0.421	2	113.8260	0.178	2	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8700	0.000	1	113.9541	0.025	17	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	114.0570	0.000	1	113.9541	0.025	17	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9850	0.116	6	113.9541	0.025	17	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9303	0.075	3	113.9541	0.025	17	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8660	0.344	3	113.9541	0.025	17	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9977	0.138	3	113.9541	0.025	17	113.8572	0.067	25	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H)	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H){2|Si<4>,2|C<3>,2|H<1>}	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	113.8238	0.441	27	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,5]-3:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H)	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,5,6,6]C[5,5,6,6]C[5,3x6]N[5,5])	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H){10|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,3x6]N[5,5])	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.3635	0.021	2	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3)	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,3|C<3>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.3635	0.021	2	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.9480	0.000	1	113.9480	0.000	1	113.9480	0.000	1	115.3166	0.772	17	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H){1|O<1>,4|H<1>,5|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.6850	0.000	1	113.6850	0.000	1	113.7503	0.007	3	115.3166	0.772	17	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8410	0.000	1	113.8410	0.000	1	113.7503	0.007	3	115.3166	0.772	17	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|S<2>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.7250	0.000	1	113.7250	0.000	1	113.7503	0.007	3	115.3166	0.772	17	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	115.8279	0.114	11	115.8279	0.013	11	115.7833	0.023	13	115.3166	0.772	17	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H){1|I<1>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,2|I<1>,3|C<4>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]C[5,6])	115.5380	0.059	2	115.5380	0.004	2	115.7833	0.023	13	115.3166	0.772	17	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5,6])	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H){1|O<1>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	112.8000	0.000	1	112.8000	0.000	1	112.8820	0.074	3	111.7392	0.478	18	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.1850	0.000	1	113.1850	0.000	1	112.8820	0.074	3	111.7392	0.478	18	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|S<2>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	112.6610	0.000	1	112.6610	0.000	1	112.8820	0.074	3	111.7392	0.478	18	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.1820	0.000	1	113.1820	0.000	1	113.1820	0.000	1	111.7392	0.478	18	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	111.4410	0.081	12	111.4410	0.007	12	111.3913	0.022	14	111.7392	0.478	18	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,2|I<1>,3|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H){1|I<1>,3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	111.0930	0.027	2	111.0930	0.001	2	111.3913	0.022	14	111.7392	0.478	18	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H){5|C<4>,7|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H){3|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	107.7770	0.000	1	107.7770	0.000	1	112.0032	1.750	14	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.3720	0.013	2	112.4718	0.028	12	112.0032	1.750	14	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.4917	0.179	10	112.4718	0.028	12	112.0032	1.750	14	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H){3|C<4>,6|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H){5|C<4>,7|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	110.6070	0.000	1	110.6070	0.000	1	112.0032	1.750	14	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H)	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H)	H(C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]C[5])	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]C[5])	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H)	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5])	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.0768	0.318	9	111.0768	0.101	9	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.5602	0.488	9	108.6746	0.158	18	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.7889	0.259	9	108.6746	0.158	18	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	112.6105	0.111	2	112.6105	0.012	2	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){2|Cl<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){2|Cl<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	109.5645	0.214	2	109.5645	0.046	2	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.2100	0.938	2	110.4838	1.018	4	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	109.7575	0.257	2	110.4838	1.018	4	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H){4|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H){4|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	113.5780	1.310	2	113.5780	1.715	2	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|H<1>,7|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|H<1>,7|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.5463	0.788	8	111.5463	0.621	8	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H){10|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H){10|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	110.3300	0.181	2	110.3300	0.033	2	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	114.3812	2.310	4	114.3812	5.337	4	110.5849	3.800	51	110.9911	3.774	69	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:C-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2C)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(COO)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2C)(H){10|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(COO){10|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	110.0000	0.000	1	110.0000	0.000	1	110.5853	0.685	3	110.5853	0.685	3	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:C-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C)2(C[5,5,6,6]C[5,5,6]2H)(COO)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H){2|C<4>,4|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C)2(C[5,5,6,6]C[5,5,6]2H)(COO){2|C<3>,2|H<1>,2|O<2>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	110.8780	0.925	2	110.8780	0.855	2	110.5853	0.685	3	110.5853	0.685	3	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	6:4:4:1:	6:4:4:1:	4:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H)	H(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]2)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H){1|C<6>,7|H<1>,9|B<6>}	H(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]2)	109.9130	0.000	1	109.9130	0.000	1	109.8975	0.000	2	112.2773	7.551	4	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	6:4:4:1:	6:4:4:1:	4:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H)	H(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]2)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H){1|C<4>,1|C<6>,6|H<1>,9|B<6>}	H(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]2)	109.8820	0.000	1	109.8820	0.000	1	109.8975	0.000	2	112.2773	7.551	4	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	6:4:4:1:	6:4:4:1:	4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H){1|C<6>,7|H<1>,9|B<6>}	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	114.6740	0.000	1	114.6740	0.000	1	114.6570	0.001	2	112.2773	7.551	4	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6,6]	H	6:4:4:1:	6:4:4:1:	4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H){1|C<4>,1|C<6>,6|H<1>,9|B<6>}	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	114.6400	0.000	1	114.6400	0.000	1	114.6570	0.001	2	112.2773	7.551	4	112.2243	4.626	147	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H){2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	115.9860	0.000	1	115.9860	0.000	1	116.1120	0.032	2	116.1120	0.032	2	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H){2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	116.2380	0.000	1	116.2380	0.000	1	116.1120	0.032	2	116.1120	0.032	2	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.8897	0.186	4	112.9232	0.037	6	112.9142	0.031	12	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.9900	0.260	2	112.9232	0.037	6	112.9142	0.031	12	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.8842	0.167	4	112.9053	0.031	6	112.9142	0.031	12	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.9475	0.257	2	112.9053	0.031	6	112.9142	0.031	12	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.7510	0.370	5	112.7510	0.137	5	112.1095	2.579	6	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){1|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	108.9020	0.000	1	108.9020	0.000	1	112.1095	2.579	6	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	112.5795	0.036	2	112.5795	0.001	2	112.0613	1.078	6	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.8023	1.236	4	111.8023	1.529	4	112.0613	1.078	6	112.4998	0.989	24	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){1|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	111.5356	1.031	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|H<1>,7|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.5520	0.770	8	111.5520	0.593	8	111.3460	0.614	12	111.5356	1.031	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H){2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	110.9340	0.728	4	110.9340	0.530	4	111.3460	0.614	12	111.5356	1.031	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|H<1>,7|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.5556	0.771	8	111.5556	0.594	8	110.9615	0.841	14	110.9615	0.841	14	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2C)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2C)(H){10|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,8|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	109.9490	0.037	2	109.9490	0.001	2	110.9615	0.841	14	110.9615	0.841	14	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H){10|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	110.2795	0.118	4	110.2795	0.014	4	110.9615	0.841	14	110.9615	0.841	14	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.3580	0.468	2	111.3580	0.219	2	111.3580	0.219	2	109.7883	3.531	4	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H){4|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){2|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.2185	0.719	2	108.2185	0.517	2	108.2185	0.517	2	109.7883	3.531	4	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.7550	0.435	4	112.7972	0.151	5	112.7972	0.151	5	111.9796	4.273	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)	112.9660	0.000	1	112.7972	0.151	5	112.7972	0.151	5	111.9796	4.273	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	112.6380	0.059	2	112.6380	0.004	2	112.6380	0.004	2	111.9796	4.273	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	109.3032	1.028	4	109.3032	1.057	4	109.3032	1.057	4	111.9796	4.273	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H){3|O<2>,7|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	111.9796	4.273	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	114.0890	0.000	1	114.0890	0.000	1	114.0890	0.000	1	111.9796	4.273	13	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[4,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:O[5]-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H)	C[5,5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O[5]C[5])2	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6,6]O[5]2)(H){1|O<1>,4|H<1>,5|C<4>}	C[5,5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O[5]C[5])2{2|C<3>,5|C<4>,8|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	111.8422	5.868	5	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:O[5]-2:O[5]-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2{4|C<4>,8|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.0190	0.000	1	113.1065	0.015	2	113.1065	0.015	2	111.8422	5.868	5	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:O[5]-2:O[5]-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]O[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	113.1940	0.000	1	113.1065	0.015	2	113.1065	0.015	2	111.8422	5.868	5	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:S[5]-2:S[5]-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,5,6])	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	111.8422	5.868	5	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])2	H(C[5,5,6,6]C[5,5,6]2C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H){2|C<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])2{3|C<4>,7|H<1>}	H(C[5,5,6,6]C[5,5,6]2C[5,6,6])	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	111.8422	5.868	5	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5,5]-2:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3){4|H<1>,7|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.0929	0.309	10	111.0929	0.096	10	111.0929	0.096	10	111.0929	0.096	10	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){2|Cl<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	109.5195	0.271	2	109.5195	0.073	2	109.5195	0.073	2	108.6893	2.380	8	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){2|Cl<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	109.5695	0.251	2	109.5695	0.063	2	108.4125	2.950	6	108.6893	2.380	8	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	109.4430	0.540	2	107.8340	3.557	4	108.4125	2.950	6	108.6893	2.380	8	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	106.2250	0.153	2	107.8340	3.557	4	108.4125	2.950	6	108.6893	2.380	8	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[6]-3:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5,6])	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	111.1088	0.292	9	111.1088	0.085	9	109.5110	1.537	26	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.5600	0.000	1	108.5600	0.000	1	109.5110	1.537	26	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.5136	0.496	8	108.5136	0.246	8	109.5110	1.537	26	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.8299	0.257	8	108.8299	0.066	8	109.5110	1.537	26	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]ClH)(Cl)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H){4|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]ClH)(Cl){2|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	100.8963	2.080	2	100.8963	4.326	2	100.8963	4.326	2	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.4921	0.575	7	108.6543	0.198	15	108.6169	0.184	17	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.7961	0.252	8	108.6543	0.198	15	108.6169	0.184	17	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)	108.3365	0.009	2	108.3365	0.000	2	108.6169	0.184	17	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,5,6,6]C[5,5,6]2C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H){2|C<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,2|C<2>,2|O<2>,5|H<1>}	H(C[5,5,6,6]C[5,5,6]2C[5,6,6])	121.7810	0.000	1	121.7810	0.000	1	121.7810	0.000	1	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	112.3320	0.000	1	112.3320	0.000	1	112.3320	0.000	1	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:P[6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H){4|C<3>,7|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	109.3040	8.227	49	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.5020	0.000	1	115.5020	0.000	1	115.5020	0.000	1	115.3100	0.050	3	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.3100	0.050	3	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	115.3100	0.050	3	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H)	C[5,5,6](C[5,5,6,6]C[5,3x6]2H)(C[5,6]C[5,3x6]HH)2(COO)	H(C[5,5,6,6]C[5,3x6]2C[5,5,6])	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H){10|H<1>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,3x6]2H)(C[5,6]C[5,3x6]HH)2(COO){3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5,6])	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	110.9181	6.517	148	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.5355	0.373	2	113.5355	0.139	2	113.4483	0.092	3	113.3803	0.080	4	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	H(C[5,5,6,6]C[5,3x6]2C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5,6,6]C[5,3x6]2C[5,5])	113.2740	0.000	1	113.2740	0.000	1	113.4483	0.092	3	113.3803	0.080	4	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	113.3803	0.080	4	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H)	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2	H(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5])	114.8730	0.000	1	114.8730	0.000	1	114.8730	0.000	1	114.7797	0.439	9	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	114.5910	0.042	2	114.5910	0.002	2	114.5910	0.002	2	114.7797	0.439	9	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:Br-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H){1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	114.7797	0.439	9	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	114.3768	0.276	4	114.3768	0.076	4	114.5238	0.165	5	114.7797	0.439	9	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	115.1120	0.000	1	115.1120	0.000	1	114.5238	0.165	5	114.7797	0.439	9	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H)	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H){2|C<4>,2|H<1>}	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H){1|Cl<1>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	115.5140	0.024	3	115.5140	0.001	3	115.5140	0.001	3	115.6812	0.067	5	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	115.7630	0.000	1	115.7630	0.000	1	115.9320	0.057	2	115.6812	0.067	5	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	116.1010	0.000	1	116.1010	0.000	1	115.9320	0.057	2	115.6812	0.067	5	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	114.4389	1.313	21	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:3:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H)	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H){2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H)	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H){2|H<1>,5|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[4,5,6,6]HH)2(O[5,5]C[4,5,5,6])(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2	H(C[5,5,6,6]C[5,6,6]2O[5,5])	C[5,5,6,6](C[5,6,6]C[4,5,6,6]HH)2(O[5,5]C[4,5,5,6])(H){1|O<2>,3|H<1>}	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2{1|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]2O[5,5])	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	H(C[5,5,6,6]C[5,6,6]2O[5,5])	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6,6]C[5,6,6]2O[5,5])	114.7720	0.004	2	114.7720	0.000	2	114.7720	0.000	2	114.7933	0.001	4	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H)	H(C[5,5,6,6]C[5,6,6]2O[5,5])	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5,6,6]C[5,6,6]2O[5,5])	114.8145	0.022	2	114.8145	0.000	2	114.8145	0.000	2	114.7933	0.001	4	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.7490	0.000	1	115.7490	0.000	1	115.7490	0.000	1	115.7490	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:1:1:	4:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	H(C[5,5,6,6]C[5,6,6]P[3x5,6]C[5,6])	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|S<1>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]P[3x5,6]C[5,6])	116.0460	0.000	1	116.0460	0.000	1	116.2115	0.055	2	116.2115	0.055	2	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:1:1:	4:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	H(C[5,5,6,6]C[5,6,6]P[3x5,6]C[5,6])	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]P[3x5,6]C[5,6])	116.3770	0.000	1	116.3770	0.000	1	116.2115	0.055	2	116.2115	0.055	2	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:Br-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H){1|N<3>,1|O<1>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	114.3785	0.285	4	114.3785	0.081	4	114.3785	0.081	4	114.3785	0.081	4	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO){2|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	114.5825	0.021	2	114.5825	0.000	2	114.5825	0.000	2	114.5825	0.000	2	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,4|H<1>}	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2{4|C<4>,4|H<1>}	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	114.8674	1.354	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	115.8410	0.000	1	115.8410	0.000	1	113.7393	3.441	3	114.8674	1.354	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|S<1>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	112.3310	0.000	1	112.3310	0.000	1	113.7393	3.441	3	114.8674	1.354	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	113.0460	0.000	1	113.0460	0.000	1	113.7393	3.441	3	114.8674	1.354	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C)(C[5,5,6,6]C[4x5,6]C[5,6]H)(H)2	H(C[5,5,6,6]C[4x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C)(C[5,5,6,6]C[4x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[4x5,6]C[5,6,6]C[5,6])	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.8674	1.354	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[4,5,3x6]-4:C[5,5,6,6]-4:Cl-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H)	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H){2|C<4>,2|H<1>}	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H){1|O<2>,3|C<4>,7|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	115.5353	0.039	3	115.5353	0.001	3	115.5353	0.001	3	114.8674	1.354	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H){2|C<4>,2|H<1>}	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2{1|Cl<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	115.5280	0.056	3	115.5280	0.003	3	115.5280	0.003	3	114.8674	1.354	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.2140	0.000	1	115.2140	0.000	1	115.2140	0.000	1	115.2140	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	116.1900	0.000	1	116.1900	0.000	1	116.1900	0.000	1	116.1900	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[4,5,6,6]-4:C[5,5,6,6]-4:C-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H)	H(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5])	114.8920	0.000	1	114.8920	0.000	1	114.8920	0.000	1	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:Br-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	114.1340	0.000	1	114.1340	0.000	1	114.1340	0.000	1	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	115.7380	0.000	1	115.7380	0.000	1	116.0523	0.083	3	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	116.1160	0.000	1	116.1160	0.000	1	116.0523	0.083	3	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H){1|N<3>,1|O<1>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	116.3030	0.000	1	116.3030	0.000	1	116.0523	0.083	3	114.4914	3.564	9	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H){4|C<4>,6|H<1>}	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H){6|H<1>,8|C<4>}	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	112.5960	0.000	1	112.5960	0.000	1	112.4900	0.022	2	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H)	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])	112.3840	0.000	1	112.3840	0.000	1	112.4900	0.022	2	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H)	H(C[5,5,6,6]C[5,5,6]2C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H){2|C<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6,6]C[5,5,6]2C[5,6,6])	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.0230	0.000	1	115.0230	0.000	1	115.0230	0.000	1	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]2)	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	114.5675	0.053	2	114.5675	0.003	2	116.8927	16.221	3	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	121.5430	0.000	1	121.5430	0.000	1	116.8927	16.221	3	114.1674	7.377	11	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH)	H(C[5,5,6,6]C[5,6,6]2C[5,5])	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6,6]C[5,6,6]2C[5,5])	114.3748	0.214	4	114.3748	0.046	4	114.3748	0.046	4	114.3748	0.046	4	114.6269	3.191	58	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:2:1:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[6]-3:N[5]-3:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H){4|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	115.3380	0.000	1	115.3380	0.000	1	114.5855	1.133	2	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5,6,6]C[3x5,6,6]C[5,6,6]C[5,6])	113.8330	0.000	1	113.8330	0.000	1	114.5855	1.133	2	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	H(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])	112.8353	0.131	4	112.8353	0.017	4	112.8353	0.017	4	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)2	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)2{4|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	114.3770	0.000	1	114.3770	0.000	1	114.3770	0.000	1	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	115.8000	0.000	1	115.8000	0.000	1	114.0555	6.087	2	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])	112.3110	0.000	1	112.3110	0.000	1	114.0555	6.087	2	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2	H(C[5,5,6,6]C[4x5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6,6]C[4x5,6]C[5,6,6]C[5,6])	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.5340	0.000	1	115.5340	0.000	1	115.3070	0.079	3	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.3950	0.000	1	115.3950	0.000	1	115.3070	0.079	3	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	114.9920	0.000	1	114.9920	0.000	1	115.3070	0.079	3	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	114.2264	1.450	15	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5,6])	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH){4|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.3760	0.017	2	112.3760	0.000	2	112.6480	0.222	3	112.5805	0.166	4	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.1920	0.000	1	113.1920	0.000	1	112.6480	0.222	3	112.5805	0.166	4	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	112.5805	0.166	4	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6,6]-4:C[4,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H){5|C<4>,7|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H){8|H<1>,9|C<4>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	H(C[5,5,6,6]C[5,5,6,6]C[3x5,6]C[5,6])	112.5171	0.199	9	112.5171	0.040	9	112.5171	0.040	9	112.5171	0.040	9	113.2656	1.725	34	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H)	H(C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]C[5])	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H){2|H<1>,5|C<4>}	H(C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]C[5])	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	113.0475	0.030	2	113.0475	0.001	2	113.0475	0.001	2	113.0475	0.001	2	111.3565	3.847	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C-3:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(COO)(H)	C[3x5,3x6](C[3x5,3x6]C[3,5,5,6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(COO)(H){3|H<1>,4|C<4>}	C[3x5,3x6](C[3x5,3x6]C[3,5,5,6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	109.4400	0.000	1	109.4400	0.000	1	109.6655	0.102	2	109.6655	0.102	2	111.3565	3.847	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C-3:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(COO)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(COO)(H){2|C<4>,5|H<1>}	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<4>,7|H<1>}	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	109.8910	0.000	1	109.8910	0.000	1	109.6655	0.102	2	109.6655	0.102	2	111.3565	3.847	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:2:3:1:	4:4:4:3:	4:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	115.4370	0.143	3	115.4551	0.007	9	115.4551	0.007	9	115.4551	0.007	9	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:2:3:1:	4:4:4:3:	4:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O){1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	115.5020	0.006	2	115.4551	0.007	9	115.4551	0.007	9	115.4551	0.007	9	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:2:3:1:	4:4:4:3:	4:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,6]O[5,5])	115.4453	0.059	4	115.4551	0.007	9	115.4551	0.007	9	115.4551	0.007	9	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.4130	0.083	2	115.4130	0.007	2	115.4130	0.007	2	115.4130	0.007	2	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	113.0190	0.017	2	113.0190	0.000	2	113.0190	0.000	2	113.0190	0.000	2	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C)2(H)2	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C)(C[5,5,6]C[3x5,6,6]HH)2(COO)	H(C[5,5,6]C[3x5,6,6]2H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C)2(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C)(C[5,5,6]C[3x5,6,6]HH)2(COO){2|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]2H)	111.6903	4.331	4	111.6903	18.754	4	111.6903	18.754	4	111.6903	18.754	4	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[4,5,6]-4:O[5,5]-2:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[4,5,6]O[5,5]H)2(C[5]N[5]O)	H(C[5,5,6]C[3x5,6,6]C[4,5,6]O[5,5])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[4,5,6]O[5,5]H)2(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6,6]C[4,5,6]O[5,5])	114.2216	0.131	11	114.2216	0.017	11	114.2216	0.017	11	114.2216	0.017	11	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C-3:H-1:	C[3,5,5,6]-4:C[4x5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(COO)(H)	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(COO)(H){3|H<1>,4|C<4>}	C[3x5,6,6](C[3,5,5,6]C[3x5,3x6]C[3]2)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.2863	0.546	3	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C-3:H-1:	C[4x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(COO)(H)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(COO)(H){2|C<4>,5|H<1>}	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]2H)(C[5,5,6]C[3x5,3x6]CH)(C[5,5,6]C[3x5,3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]C)	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.2863	0.546	3	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4x5,6,6]-4:C-3:H-1:	C[3,5,5,6]-4:C[4,3x5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C)(COO)(H)	C[3x5,6,6](C[3,5,5,6]C[4x5,6,6]C[3]2)(C[4,3x5,6,6]C[4,3x5,6]2H)(C[5,5,6]C[4x5,6,6]CH)(H)	H(C[5,5,6]C[3x5,6,6]C[4x5,6,6]C)	C[5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C)(COO)(H){2|H<1>,5|C<4>}	C[3x5,6,6](C[3,5,5,6]C[4x5,6,6]C[3]2)(C[4,3x5,6,6]C[4,3x5,6]2H)(C[5,5,6]C[4x5,6,6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6,6]C[4x5,6,6]C)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	109.2863	0.546	3	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O){1|C<3>,1|C<4>,1|F<1>,1|O<1>,8|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.8855	0.235	2	115.8855	0.055	2	115.8855	0.055	2	115.8855	0.055	2	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H)	H(C[5,5,6]C[3x5,6,6]C[4x5,3x6]C[6])	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6,6]C[4x5,3x6]C[6])	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[3,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[3,5,6]C[5,5,6]C[5])(C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<5>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3,5,6]C[5,5,6]C[5])(C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.1635	0.073	2	115.1635	0.005	2	115.1635	0.005	2	115.2230	0.028	12	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O){1|F<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.1955	0.019	2	115.1955	0.000	2	115.2349	0.032	10	115.2230	0.028	12	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O){1|F<1>,1|I<1>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.3705	0.016	2	115.4098	0.006	4	115.2349	0.032	10	115.2230	0.028	12	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O){1|C<3>,1|C<4>,1|F<1>,1|O<1>,8|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.4490	0.103	2	115.4098	0.006	4	115.2349	0.032	10	115.2230	0.028	12	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O){1|F<1>,1|I<1>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.1165	0.213	2	115.1165	0.045	2	115.2349	0.032	10	115.2230	0.028	12	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,5]C[5,6]H)2(C[5]O[5]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.0430	0.041	2	115.0430	0.002	2	115.2349	0.032	10	115.2230	0.028	12	114.1703	4.631	46	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[3x5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H)	H(C[5,5,6]C[3x5,6]O[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]O[5])	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:3:1:	4:4:4:4:	4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]C[5,6]2C)(C[5]O[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]O[5,5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]C[5,6]2C)(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5,5])	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:4:1:	4:4:2:4:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	112.0615	0.042	2	112.0615	0.002	2	112.0615	0.002	2	112.0615	0.002	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	122.2810	0.000	1	122.2810	0.000	1	122.2810	0.000	1	115.3860	35.697	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,6|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	111.7360	0.000	1	111.7360	0.000	1	111.9385	0.082	2	115.3860	35.697	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H){7|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	112.1410	0.000	1	112.1410	0.000	1	111.9385	0.082	2	115.3860	35.697	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:4:1:	6:4:4:3:	4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	B[4x3,4,6x5,21x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,1|S<2>,5|B<6>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	109.1620	0.645	3	109.1620	0.415	3	109.1620	0.415	3	109.3406	0.333	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:2:4:1:	6:4:4:3:	4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	B[5x3,6x5,20x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,5|B<6>,7|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	109.6085	0.511	2	109.6085	0.261	2	109.6085	0.261	2	109.3406	0.333	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:3:4:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.3010	0.000	1	112.3010	0.000	1	112.3275	0.001	2	112.3275	0.001	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:3:4:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.3540	0.000	1	112.3540	0.000	1	112.3275	0.001	2	112.3275	0.001	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:3:4:1:	6:4:4:3:	4:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	B[4x3,4,6x5,21x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6]Co)(C[5,6]C[5,5,6]CH)(H)	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|Co<5>,1|C<3>,1|S<2>,5|B<6>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	107.4665	1.081	2	107.4665	1.169	2	107.4665	1.169	2	107.8238	0.321	6	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:3:4:1:	6:4:4:3:	4:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	B[5x3,6x5,20x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H)	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|Co<7>,1|C<3>,1|S<2>,5|B<6>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	108.0025	0.135	4	108.0025	0.018	4	108.0025	0.018	4	107.8238	0.321	6	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5,5,6,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	110.2570	0.646	2	110.2570	0.418	2	110.2570	0.418	2	108.8974	56.545	4	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5,5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{2|C<3>,2|C<4>}	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	107.5379	12.721	2	107.5379	161.824	2	107.5379	161.824	2	108.8974	56.545	4	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|I<1>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.6650	0.000	1	112.6650	0.000	1	112.3443	0.105	3	112.3443	0.105	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.3510	0.000	1	112.3510	0.000	1	112.3443	0.105	3	112.3443	0.105	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|O<1>,1|S<2>,2|F<1>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.0170	0.000	1	112.0170	0.000	1	112.3443	0.105	3	112.3443	0.105	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH)	H(C[5,5,6]C[3x5,6]C[5,6]O[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH){1|C<4>,1|O<2>,7|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5,6])	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H){2|C<4>,6|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	112.4754	4.555	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	112.4754	4.555	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Br<1>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	117.2360	0.000	1	117.2360	0.000	1	112.8992	6.033	5	112.4754	4.555	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H){1|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.7270	0.000	1	111.7270	0.000	1	112.8992	6.033	5	112.4754	4.555	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<2>,1|C<4>,1|O<1>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.7810	0.000	1	111.7810	0.000	1	112.8992	6.033	5	112.4754	4.555	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.3260	0.000	1	111.3260	0.000	1	112.8992	6.033	5	112.4754	4.555	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Se<2>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.4260	0.000	1	112.4260	0.000	1	112.8992	6.033	5	112.4754	4.555	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	113.1040	2.180	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	112.0600	0.000	1	112.0600	0.000	1	112.0600	0.000	1	113.1040	2.180	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:N[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(N[5]C[5]N)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(N[5]C[5]N){1|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	110.9617	0.641	6	110.9617	0.411	6	110.9617	0.411	6	110.9617	0.411	6	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH)	H(C[5,5,6]C[3x5,6]C[5,5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]O[5])	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	110.6276	1.092	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H){1|O<2>,3|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH){3|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	110.3492	1.049	4	110.3492	1.101	4	110.3522	0.673	6	110.6276	1.092	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){1|C<3>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<3>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	110.1840	0.000	1	110.3580	0.061	2	110.3522	0.673	6	110.6276	1.092	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	110.5320	0.000	1	110.3580	0.061	2	110.3522	0.673	6	110.6276	1.092	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.2420	0.290	2	110.6018	1.422	6	110.6760	0.608	13	110.6760	0.608	13	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.3290	0.139	2	110.6018	1.422	6	110.6760	0.608	13	110.6760	0.608	13	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.2345	1.180	2	110.6018	1.422	6	110.6760	0.608	13	110.6760	0.608	13	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7396	0.145	7	110.7396	0.021	7	110.6760	0.608	13	110.6760	0.608	13	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:3:2:2:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.9030	0.314	2	111.6540	0.248	5	111.6540	0.248	5	111.6540	0.248	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:3:2:2:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.4880	0.586	3	111.6540	0.248	5	111.6540	0.248	5	111.6540	0.248	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:3:2:3:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:N[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5])	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,3|O<1>,4|C<3>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	112.3130	0.000	1	112.3130	0.000	1	112.3130	0.000	1	112.3130	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.3910	0.000	1	113.3910	0.000	1	113.4510	0.007	2	113.4510	0.007	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|I<1>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.5110	0.000	1	113.5110	0.000	1	113.4510	0.007	2	113.4510	0.007	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.6165	0.185	2	111.6165	0.034	2	111.6165	0.034	2	110.8786	0.788	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.8515	0.071	2	110.8515	0.005	2	110.8515	0.005	2	110.8786	0.788	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H)	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	110.8786	0.788	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(C[5]N[5]O)(H){2|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.6490	0.000	1	109.6490	0.000	1	110.7186	0.354	7	110.7186	0.354	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.4940	0.000	1	110.9472	0.203	4	110.7186	0.354	7	110.7186	0.354	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7650	0.324	3	110.9472	0.203	4	110.7186	0.354	7	110.7186	0.354	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|Br<1>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|Br<1>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7960	0.385	2	110.7960	0.148	2	110.7186	0.354	7	110.7186	0.354	7	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.0730	0.000	1	110.7281	0.128	12	110.7281	0.128	12	110.2563	7.413	15	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.4543	0.450	4	110.7281	0.128	12	110.7281	0.128	12	110.2563	7.413	15	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.7142	0.081	5	110.7281	0.128	12	110.7281	0.128	12	110.2563	7.413	15	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.1380	0.126	2	110.7281	0.128	12	110.7281	0.128	12	110.2563	7.413	15	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5])(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<3>,8|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	110.2563	7.413	15	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]H)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]H)(C[5]S[5]HH){1|C<3>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	104.4370	0.000	1	104.4370	0.000	1	104.4370	0.000	1	110.2563	7.413	15	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[4,5,5,6]-4:C[3x5,6]-4:C-3:H-1:	C[4,3x5]-4:C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6]C[4,5,5,6]P[4,5]H)(C[3x5,6]C[4,3x5]C[5,6]C)(COO)(H)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5,6]C[4,5,5,6]C[3x5,6]C)	C[5,5,6](C[4,5,5,6]C[4,5,5,6]P[4,5]H)(C[3x5,6]C[4,3x5]C[5,6]C)(COO)(H){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>}	H(C[5,5,6]C[4,5,5,6]C[3x5,6]C)	104.5980	0.000	1	104.5980	0.000	1	104.5980	0.000	1	110.2563	7.413	15	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H)	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H){1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	112.6545	0.220	2	112.6545	0.048	2	112.6545	0.048	2	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	116.3720	0.000	1	116.3720	0.000	1	113.8367	3.642	6	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.9110	0.000	1	112.0780	0.056	2	113.8367	3.642	6	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.2450	0.000	1	112.0780	0.056	2	113.8367	3.642	6	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	116.0270	0.000	1	116.0270	0.000	1	113.8367	3.642	6	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.1470	0.000	1	113.1470	0.000	1	113.8367	3.642	6	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Se<2>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.3180	0.000	1	113.3180	0.000	1	113.8367	3.642	6	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	115.8750	0.000	1	115.8750	0.000	1	114.7295	2.624	2	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	113.5840	0.000	1	113.5840	0.000	1	114.7295	2.624	2	113.7758	2.524	11	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O[5,5]-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.1450	0.144	4	111.1450	0.021	4	111.1450	0.021	4	111.1450	0.021	4	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5]-4:C[5,5,6]-4:C[5]-4:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H)	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H){1|C<4>,3|C<3>,3|N<3>,4|H<1>}	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H){1|C<4>,4|H<1>,7|C<3>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	114.1393	22.801	4	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|S<4>}	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	114.1393	22.801	4	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]N[5]O)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]N[5]O){2|C<3>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.4250	0.000	1	110.4250	0.000	1	115.7805	57.363	2	114.1393	22.801	4	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]H)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]H){1|C<3>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	121.1360	0.000	1	121.1360	0.000	1	115.7805	57.363	2	114.1393	22.801	4	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH)	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|O<2>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	116.2030	0.000	1	116.2030	0.000	1	116.2030	0.000	1	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]C[5,5,6]HH)(CCCH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]C[5,5,6]HH)(CCCH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.6900	0.462	2	112.6900	0.214	2	112.6900	0.214	2	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]Cl2)(N[5]S[5]S)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]Cl2)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|Cl<1>,1|S<2>,2|O<1>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.5650	0.000	1	109.5650	0.000	1	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]C[5]2H)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H){1|S<1>,4|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]C[5]2H){1|C<4>,1|S<1>,2|C<3>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.3950	0.000	1	110.3950	0.000	1	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H){1|C<3>,1|N<2>,2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<3>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.4340	0.542	2	110.4340	0.293	2	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H){1|O<2>,2|O<1>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<4>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	111.0940	0.000	1	111.0940	0.000	1	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]CH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,4|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]CH){1|C<3>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.9720	0.000	1	109.9720	0.000	1	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<3>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.9764	0.380	67	109.9764	0.144	67	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|S<2>,2|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.6140	0.000	1	110.6140	0.000	1	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|S<2>,2|O<1>,2|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.8825	0.040	2	109.8825	0.002	2	110.0091	0.162	76	110.1554	0.813	79	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.0185	0.120	2	111.0185	0.014	2	111.0185	0.014	2	111.0185	0.014	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.3770	0.190	2	111.3770	0.036	2	111.0146	0.464	5	111.0146	0.464	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|P<4>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP){1|C<3>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.9675	1.074	2	110.9675	1.154	2	111.0146	0.464	5	111.0146	0.464	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH){6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.3840	0.000	1	110.3840	0.000	1	111.0146	0.464	5	111.0146	0.464	5	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:3:3:3:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:N[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S){2|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[3,5,5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:O[6]-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H)	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6])	H(C[5,5,6]C[3,5,5]C[3x5,6]C[6])	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6]){1|C<4>,5|C<3>,6|H<1>}	H(C[5,5,6]C[3,5,5]C[3x5,6]C[6])	110.7760	0.004	2	110.7760	0.000	2	110.7760	0.000	2	110.7760	0.000	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){4|C<3>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.7860	0.000	1	112.7860	0.000	1	112.3015	0.469	2	112.3015	0.469	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){2|C<3>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.8170	0.000	1	111.8170	0.000	1	112.3015	0.469	2	112.3015	0.469	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5,5])	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	110.9995	5.588	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH)	H(C[5,5,6]C[5,5,6,6]C[3x5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH){1|C<4>,1|O<2>,7|H<1>}	H(C[5,5,6]C[5,5,6,6]C[3x5,6]C[5])	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	110.9995	5.588	2	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.1685	0.029	2	111.1685	0.001	2	111.1685	0.001	2	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H)	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H)	H(C[5,5,6]C[3x5,6]C[5,6]2)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]2)	113.3992	0.155	4	113.3992	0.024	4	113.3992	0.024	4	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H){1|C<4>,1|N<2>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|N<2>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:Br-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H)	C[3x5,6](C[4,5,5,6]C[4,5,6]O[4]O[5])(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H){1|Br<1>,1|C<4>,3|O<2>}	C[3x5,6](C[4,5,5,6]C[4,5,6]O[4]O[5])(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br){1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H){9|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.1345	4.962	2	111.1345	24.619	2	111.1345	24.619	2	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(Cl)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(Cl){2|C<4>,3|C<3>,8|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.2425	0.052	2	111.2425	0.003	2	111.2425	0.003	2	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.6150	0.000	1	111.6150	0.000	1	111.5467	0.058	3	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.7450	0.000	1	111.7450	0.000	1	111.5467	0.058	3	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,2|C<4>,9|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.2800	0.000	1	111.2800	0.000	1	111.5467	0.058	3	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.0940	0.000	1	112.0940	0.000	1	112.4133	0.077	3	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.5450	0.000	1	112.5450	0.000	1	112.4133	0.077	3	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,2|C<4>,9|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.6010	0.000	1	112.6010	0.000	1	112.4133	0.077	3	111.9542	2.327	18	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2){10|H<1>,1|Cl<1>,2|C<4>,4|C<3>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.0725	0.308	2	111.0725	0.095	2	111.0725	0.095	2	110.8127	0.250	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|S<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.8127	0.250	3	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H)	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5,5])	110.1790	0.440	2	110.1790	0.193	2	110.1790	0.193	2	109.7856	3.539	17	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO){2|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	106.5880	0.249	2	106.5880	0.062	2	106.5880	0.062	2	109.7856	3.539	17	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.9525	1.493	2	111.0031	3.768	7	111.0031	3.768	7	109.7856	3.539	17	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3){1|C<4>,1|S<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.2234	1.561	5	111.0031	3.768	7	111.0031	3.768	7	109.7856	3.539	17	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.7856	3.539	17	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H){1|C<4>,9|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	109.7856	3.539	17	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH){1|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	109.0295	0.302	4	109.0295	0.091	4	109.0295	0.091	4	109.7856	3.539	17	110.9146	4.580	251	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:2:1:	4:4:4:2:	4:	C[3x5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[3x5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])	H(C[5,5,6]C[3x5]C[5,6]O[5,6])	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[3x5]C[5,6]O[5,6])	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:3:1:	4:4:2:2:	4:	C[3x5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[3x5](C[5,5,6]C[5,6]2H)2(O[5]C[5])2	H(C[5,5,6]C[3x5]C[5,6]2)	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[3x5](C[5,5,6]C[5,6]2H)2(O[5]C[5])2{2|C<4>,8|H<1>}	H(C[5,5,6]C[3x5]C[5,6]2)	115.9060	0.109	4	115.9060	0.012	4	115.9060	0.012	4	116.4017	1.256	6	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2{2|C<3>,8|H<1>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	116.1090	0.000	1	117.3930	3.297	2	117.3930	3.297	2	116.4017	1.256	6	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2{1|C<3>,1|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	118.6770	0.000	1	117.3930	3.297	2	117.3930	3.297	2	116.4017	1.256	6	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:N[5,5a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H)	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<2>,5|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	116.0320	0.226	2	116.0542	0.038	4	116.0542	0.038	4	116.0542	0.038	4	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<2>,4|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	116.0765	0.250	2	116.0542	0.038	4	116.0542	0.038	4	116.0542	0.038	4	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	111.4500	0.000	1	111.5675	0.028	2	111.5675	0.028	2	111.5675	0.028	2	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	111.6850	0.000	1	111.5675	0.028	2	111.5675	0.028	2	111.5675	0.028	2	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6]-4:C[3x5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H)	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5,6]C[3,5,6]C[3x5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[3x5]C[5,6])	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3x5]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]HH)2(H)	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5,5,6]C[3x5]C[5,6]2)	C[5,5,6](C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]HH)2(H){1|O<1>,2|C<3>,7|H<1>}	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,8|H<1>}	H(C[5,5,6]C[3x5]C[5,6]2)	114.4320	0.191	8	114.4320	0.037	8	114.4320	0.037	8	114.4320	0.037	8	114.6685	4.483	23	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4x5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[6]-4:H-1:	C[4x5,6,6]-4:C[5,5,6]-4:C[3x5,3x6]-4:O[5,6]-2:	C[5,5,6]-4:	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H)	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6])	H(C[5,5,6]C[3x5,6,6]C[4x5,3x6]C[6])	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6]){1|O<1>,4|C<4>,8|H<1>}	H(C[5,5,6]C[3x5,6,6]C[4x5,3x6]C[6])	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4x5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[4x5,6,6]-4:C-3:H-1:	C[4x5,6,6]-4:C[4,3x5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C)(COO)(H)	C[4x5,6,6](C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]H)(C[4,3x5,6]C[4,3x5,6,6]C[4,5]C)(C[5,5,6]C[3x5,6,6]CH)(COO)	H(C[5,5,6]C[3x5,6,6]C[4x5,6,6]C)	C[5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C)(COO)(H){2|H<1>,5|C<4>}	C[4x5,6,6](C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]H)(C[4,3x5,6]C[4,3x5,6,6]C[4,5]C)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6,6]C[4x5,6,6]C)	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H)	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5,5,6]C[4x5,6]C[5,6]C[5])	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HH){10|H<1>,1|O<2>}	H(C[5,5,6]C[4x5,6]C[5,6]C[5])	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[3,5,5]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H)	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5,5,6]C[3,5,5]C[5,3x6]C[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[3,5,5]C[5,3x6]C[5,6])	115.9720	0.225	2	115.9720	0.051	2	115.9720	0.051	2	115.7579	0.033	8	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|C<3>,7|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	115.6865	0.110	6	115.6865	0.012	6	115.6865	0.012	6	115.7579	0.033	8	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H)	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	H(C[5,5,6]C[5,5,6,6]C[5,3x6]N[5,6])	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H){2|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,3x6]N[5,6])	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,3|C<3>,4|H<1>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,2|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.7160	0.000	1	114.7160	0.000	1	114.6285	0.015	2	114.7772	0.032	6	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<3>,2|N<3>,4|H<1>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<4>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.5410	0.000	1	114.5410	0.000	1	114.6285	0.015	2	114.7772	0.032	6	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	115.0290	0.000	1	114.9865	0.004	2	114.8515	0.026	4	114.7772	0.032	6	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.9440	0.000	1	114.9865	0.004	2	114.8515	0.026	4	114.7772	0.032	6	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.7350	0.000	1	114.7165	0.001	2	114.8515	0.026	4	114.7772	0.032	6	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.6980	0.000	1	114.7165	0.001	2	114.8515	0.026	4	114.7772	0.032	6	115.1846	0.615	15	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,4x6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.8930	0.069	2	114.8930	0.005	2	114.8930	0.005	2	114.8930	0.005	2	114.6352	0.161	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.0520	0.000	1	114.0520	0.000	1	114.3775	0.212	2	114.3775	0.212	2	114.6352	0.161	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.7030	0.000	1	114.7030	0.000	1	114.3775	0.212	2	114.3775	0.212	2	114.6352	0.161	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:3:2:1:	4:3:3:4:	4:	C[5,5,3x6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H)	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,8|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H){10|C<3>,1|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]O[5,5])	114.7910	0.171	2	114.7910	0.029	2	114.7910	0.029	2	114.7910	0.029	2	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])	115.6145	0.090	2	115.6145	0.008	2	115.6145	0.008	2	115.6145	0.008	2	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[4,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,4|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.7140	0.108	3	110.7140	0.012	3	110.7140	0.012	3	110.6048	0.068	10	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.3720	0.488	2	110.5820	0.141	4	110.5820	0.141	4	110.6048	0.068	10	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.7920	0.099	2	110.5820	0.141	4	110.5820	0.141	4	110.6048	0.068	10	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	110.6048	0.068	10	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.6465	0.144	2	110.6465	0.021	2	110.6465	0.021	2	110.6048	0.068	10	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)	H(C[5,5,6]C[5,5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5]C[5,6])	114.7360	0.028	2	114.7360	0.001	2	114.7360	0.001	2	114.7360	0.001	2	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,5,6]-4:C[5,5,3x6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	H(C[5,5,6]C[3,5,5,6]C[5,5,3x6]C[5])	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	H(C[5,5,6]C[3,5,5,6]C[5,5,3x6]C[5])	110.2080	0.433	2	110.2080	0.187	2	110.2080	0.187	2	110.2080	0.187	2	112.0415	4.904	18	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	115.3365	0.119	4	115.2958	0.013	6	115.2951	0.016	12	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	115.2145	0.035	2	115.2958	0.013	6	115.2951	0.016	12	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	115.3665	0.128	4	115.2943	0.023	6	115.2951	0.016	12	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)2(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	115.1500	0.040	2	115.2943	0.023	6	115.2951	0.016	12	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	115.5116	0.569	5	115.5116	0.324	5	115.8928	1.131	6	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){1|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	117.7990	0.000	1	117.7990	0.000	1	115.8928	1.131	6	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	115.3240	0.072	2	115.3240	0.005	2	117.0590	5.522	6	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	117.9265	2.488	4	117.9265	6.191	4	117.0590	5.522	6	115.8855	1.995	24	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(COO)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(COO){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	114.5340	0.764	2	114.7067	0.149	6	114.7067	0.149	6	114.7342	0.091	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(COO)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(COO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	114.7930	0.158	4	114.7067	0.149	6	114.7067	0.149	6	114.7342	0.091	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(COO)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(COO){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	114.7579	0.239	7	114.7579	0.057	7	114.7579	0.057	7	114.7342	0.091	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:4:	4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(CF3)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(CF3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	114.8334	0.137	8	114.8334	0.019	8	114.8334	0.019	8	114.8334	0.019	8	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){1|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	117.1730	0.000	1	117.1730	0.000	1	117.1730	0.000	1	115.2320	0.492	12	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|H<1>,7|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	115.1912	0.179	8	115.1912	0.032	8	115.0555	0.131	11	115.2320	0.492	12	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H){2|C<4>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	114.6937	0.521	3	114.6937	0.271	3	115.0555	0.131	11	115.2320	0.492	12	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5,6,6]-4:N[5,5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C)	H(C[5,5,6]C[5,5,6,6]N[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H){4|C<3>,6|H<1>}	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C){1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]N[5,5,6]C[6])	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	116.3260	0.585	2	116.3260	0.343	2	116.3260	0.343	2	114.9168	3.628	4	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){2|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H){4|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	113.5075	1.611	2	113.5075	2.597	2	113.5075	2.597	2	114.9168	3.628	4	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	115.1070	0.000	1	115.1070	0.000	1	115.1460	0.003	2	115.1460	0.003	2	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	115.1850	0.000	1	115.1850	0.000	1	115.1460	0.003	2	115.1460	0.003	2	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6,6]2O[5])	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]2O[5])	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.8948	1.445	5	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	113.0115	0.138	2	113.0115	0.019	2	111.9172	1.923	4	111.8948	1.445	5	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	110.1300	0.000	1	110.8230	0.960	2	111.9172	1.923	4	111.8948	1.445	5	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	111.5160	0.000	1	110.8230	0.960	2	111.9172	1.923	4	111.8948	1.445	5	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a])	H(C[5,5,6]C[5,5,6,6]2O[5])	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,5,6]C[5,5,6,6]2O[5])	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	114.1800	0.252	4	114.1790	0.047	5	114.1790	0.047	5	113.5705	1.980	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	114.1750	0.000	1	114.1790	0.047	5	114.1790	0.047	5	113.5705	1.980	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	113.7070	0.143	2	113.7070	0.020	2	113.7070	0.020	2	113.5705	1.980	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H){3|O<2>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[6])	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	113.5705	1.980	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	113.0722	2.484	4	113.0722	6.172	4	113.0722	6.172	4	113.5705	1.980	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,6])	113.7100	0.000	1	113.7100	0.000	1	113.7100	0.000	1	113.5705	1.980	13	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H)	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O)	H(C[5,5,6]C[5,5,6,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]O[5,6])	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H){2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	111.7040	0.000	1	111.7040	0.000	1	112.0160	0.195	2	112.0160	0.195	2	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	112.3280	0.000	1	112.3280	0.000	1	112.0160	0.195	2	112.0160	0.195	2	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.3045	0.088	2	112.3045	0.008	2	112.5452	0.089	5	112.2974	0.286	7	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.8570	0.140	2	112.8570	0.020	2	112.5452	0.089	5	112.2974	0.286	7	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.4030	0.000	1	112.4030	0.000	1	112.5452	0.089	5	112.2974	0.286	7	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.0560	0.000	1	112.0560	0.000	1	112.0560	0.000	1	112.2974	0.286	7	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H){3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	111.3000	0.000	1	111.3000	0.000	1	111.3000	0.000	1	112.2974	0.286	7	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:O[5,6]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,6|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H)	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]N[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH){1|H<1>,1|S<4>,4|C<4>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]N[5])	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){2|Cl<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	116.6640	0.023	2	116.6640	0.001	2	115.4692	2.302	6	115.4692	2.302	6	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.0320	2.000	2	114.8717	2.409	4	115.4692	2.302	6	115.4692	2.302	6	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	115.7115	0.639	2	114.8717	2.409	4	115.4692	2.302	6	115.4692	2.302	6	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	115.9755	0.220	2	115.9755	0.048	2	115.9755	0.048	2	115.7900	0.127	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|C<4>,1|S<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	115.4190	0.000	1	115.4190	0.000	1	115.4190	0.000	1	115.7900	0.127	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	H(C[5,5,6]C[5,5,6,6]C[5,3x6]N[5,6])	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H){2|O<2>,5|H<1>,6|C<4>}	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,3x6]N[5,6])	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	112.2600	0.692	3	112.2600	0.479	3	112.2600	0.479	3	112.2600	0.479	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	112.2710	0.540	2	112.5030	0.307	3	112.5030	0.307	3	112.5030	0.307	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	112.9670	0.000	1	112.5030	0.307	3	112.5030	0.307	3	112.5030	0.307	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]H)(O[5,6]C[5,5,6])(O[5]C[5])	H(C[5,5,6]C[5,5,6,6]C[3x5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]H)(O[5,6]C[5,5,6])(O[5]C[5]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[3x5,6]C[5])	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH){1|C<3>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.1210	0.000	1	114.1210	0.000	1	114.1705	0.005	2	114.7110	0.437	4	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN){1|C<3>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.2200	0.000	1	114.2200	0.000	1	114.1705	0.005	2	114.7110	0.437	4	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH){10|H<1>,1|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	115.2515	0.370	2	115.2515	0.137	2	115.2515	0.137	2	114.7110	0.437	4	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	114.0020	0.000	1	114.0020	0.000	1	114.1835	0.331	26	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	113.9862	0.317	8	113.9862	0.101	8	114.1835	0.331	26	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	114.8582	0.192	9	114.8582	0.037	9	114.1835	0.331	26	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	113.6445	0.270	8	113.6445	0.073	8	114.1835	0.331	26	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,2|C<2>,2|O<2>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H){2|C<2>,3|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.9384	0.475	8	114.9054	0.151	16	114.7256	0.412	18	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6,6]C[5,5,6]2H)(H){3|C<4>,9|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.8724	0.309	8	114.9054	0.151	16	114.7256	0.412	18	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	113.2875	0.295	2	113.2875	0.087	2	114.7256	0.412	18	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]C[5])	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:P[6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]P[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H){4|C<3>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]P[6])	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	114.1543	1.211	48	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH){2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	113.1420	6.132	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	113.1420	6.132	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H)	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	113.1420	6.132	3	114.1684	3.401	170	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	114.7370	0.000	1	114.7370	0.000	1	115.0310	0.173	2	115.0310	0.173	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.3250	0.000	1	115.3250	0.000	1	115.0310	0.173	2	115.0310	0.173	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,3x6]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,3x6]C[5,5,6]O[5,5])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,3x6]C[5,5,6]O[5,5])	115.9965	1.460	2	115.9965	2.132	2	115.9965	2.132	2	115.3997	0.558	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	114.9430	0.204	2	114.9430	0.041	2	115.1610	0.055	5	115.3997	0.558	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.2500	0.008	2	115.2500	0.000	2	115.1610	0.055	5	115.3997	0.558	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H){1|C<4>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.4190	0.000	1	115.4190	0.000	1	115.1610	0.055	5	115.3997	0.558	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:3:1:	4:4:2:2:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2{3|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.6470	0.128	4	115.6470	0.016	4	115.7081	0.106	7	115.7081	0.106	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.4950	0.168	2	115.4950	0.028	2	115.7081	0.106	7	115.7081	0.106	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	116.3790	0.000	1	116.3790	0.000	1	115.7081	0.106	7	115.7081	0.106	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a,6]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5a,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5,6]C[5,5])	116.2105	0.086	2	116.2105	0.007	2	116.2105	0.007	2	115.2946	2.956	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.3810	0.000	1	116.3810	0.000	1	115.9876	0.037	7	115.2946	2.956	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	115.8740	0.065	4	115.9220	0.008	6	115.9876	0.037	7	115.2946	2.956	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.0180	0.016	2	115.9220	0.008	6	115.9876	0.037	7	115.2946	2.956	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	115.9370	0.000	1	115.9370	0.000	1	115.9370	0.000	1	115.2946	2.956	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.6960	0.000	1	111.6960	0.000	1	111.6320	0.008	2	115.2946	2.956	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.5680	0.000	1	111.5680	0.000	1	111.6320	0.008	2	115.2946	2.956	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.2690	0.000	1	116.2690	0.000	1	116.2690	0.000	1	112.7063	5.670	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.5400	0.000	1	111.6270	0.015	2	111.6270	0.015	2	112.7063	5.670	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.7140	0.000	1	111.6270	0.015	2	111.6270	0.015	2	112.7063	5.670	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H)	H(C[5,5,6]C[5,5,6]2N[5,6,6])	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,4|C<4>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,6,6])	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	112.7063	5.670	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]O[5,5]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]O[5,5]O[5,6])	114.8887	2.417	3	114.8887	5.841	3	114.8887	5.841	3	114.8887	5.841	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H)	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,5,6]C[5,5,6]O[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H){1|Se<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|Se<2>,1|C<4>,1|H<1>}	H(C[5,5,6]C[5,5,6]O[5,6]2)	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.9690	0.000	1	114.9690	0.000	1	114.9690	0.000	1	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.4140	0.000	1	115.4140	0.000	1	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.1210	0.826	5	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.2212	0.312	4	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.4865	1.145	2	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.3661	0.228	18	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.4805	0.080	2	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8825	1.104	2	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.2581	1.642	14	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.1130	0.000	1	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8110	0.000	1	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.4400	0.000	1	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.9690	0.000	1	115.1515	1.080	51	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.7897	0.312	4	115.6773	0.075	7	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.3690	0.000	1	115.6773	0.075	7	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.6065	0.064	2	115.6773	0.075	7	115.2183	0.969	59	115.2180	0.939	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.3630	0.000	1	114.7735	0.337	2	114.7735	0.337	2	114.9911	0.085	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.1840	0.000	1	114.7735	0.337	2	114.7735	0.337	2	114.9911	0.085	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.0720	0.000	1	115.0720	0.000	1	115.0782	0.011	5	114.9911	0.085	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.1210	0.000	1	115.1210	0.000	1	115.0782	0.011	5	114.9911	0.085	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.9730	0.000	1	114.9730	0.000	1	115.0782	0.011	5	114.9911	0.085	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.1125	0.165	2	115.1125	0.027	2	115.0782	0.011	5	114.9911	0.085	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5,6]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]S[5,6])	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]S[5,6])	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	115.2125	0.542	2	115.2125	0.294	2	115.5465	0.412	4	115.3277	0.438	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	115.8805	0.705	2	115.8805	0.497	2	115.5465	0.412	4	115.3277	0.438	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,6]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,6])	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	115.3277	0.438	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.4560	0.000	1	114.4560	0.000	1	114.4560	0.000	1	115.3277	0.438	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)	H(C[5,5,6]C[5,5,6]C[5,5]S[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH){1|H<1>,2|C<3>,2|O<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]S[5,6])	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	114.7025	0.014	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	114.7025	0.014	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:3:2:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5])	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	H(C[5,5,6]C[5,5,6]N[5,6]2)	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]N[5,6]2)	112.1700	0.068	2	112.1700	0.005	2	112.1700	0.005	2	112.1700	0.005	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3030	0.000	1	116.3030	0.000	1	116.4445	0.040	2	115.5459	3.504	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.5860	0.000	1	116.5860	0.000	1	116.4445	0.040	2	115.5459	3.504	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	115.5459	3.504	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6a]-3:N[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,6])	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	115.5459	3.504	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){1|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3390	0.000	1	116.3390	0.000	1	116.4050	0.009	2	115.5459	3.504	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.4710	0.000	1	116.4710	0.000	1	116.4050	0.009	2	115.5459	3.504	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:S[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]S[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5,5,6]C[5,5,6]C[5,6]S[5,5])	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.5459	3.504	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){2|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7540	0.000	1	115.7540	0.000	1	115.8210	0.009	2	116.0113	0.113	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){2|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|O<1>,4|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8880	0.000	1	115.8880	0.000	1	115.8210	0.009	2	116.0113	0.113	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,9|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|O<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3920	0.000	1	116.3920	0.000	1	116.3920	0.000	1	116.0113	0.113	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9250	0.000	1	115.9250	0.000	1	115.9860	0.007	2	115.9860	0.007	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,2|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0470	0.000	1	116.0470	0.000	1	115.9860	0.007	2	115.9860	0.007	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	116.0900	0.000	1	116.0900	0.000	1	116.0900	0.000	1	114.5275	3.691	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	112.8940	0.625	2	112.8940	0.391	2	114.0067	3.909	3	114.5275	3.691	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2320	0.000	1	116.2320	0.000	1	114.0067	3.909	3	114.5275	3.691	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.8670	0.000	1	111.8670	0.000	1	112.2160	0.244	2	112.2160	0.244	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.5650	0.000	1	112.5650	0.000	1	112.2160	0.244	2	112.2160	0.244	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	112.3320	0.000	1	112.3320	0.000	1	112.3320	0.000	1	112.3320	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.4220	1.919	3	112.4220	3.683	3	112.4220	3.683	3	112.4220	3.683	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[5]C[5]2Ru)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[5]C[5]2Ru){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	113.2320	4.344	2	113.1142	6.320	4	113.1142	6.320	4	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,2|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])	112.9965	0.172	2	113.1142	6.320	4	113.1142	6.320	4	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5,5])	114.0110	0.157	2	114.0110	0.025	2	114.0110	0.025	2	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	112.6290	1.894	2	112.6818	1.201	4	112.6818	1.201	4	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	112.7345	0.077	2	112.6818	1.201	4	112.6818	1.201	4	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,3|C<4>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	110.6290	0.000	2	110.6290	0.000	2	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.2635	0.124	2	112.2635	0.015	2	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.3830	0.000	1	113.0713	0.739	4	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	114.3220	0.000	1	113.0713	0.739	4	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.7900	0.147	2	113.0713	0.739	4	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.1400	0.101	4	112.1400	0.010	4	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7115	0.048	4	111.7115	0.002	4	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	115.0630	3.590	3	115.0630	12.885	3	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	113.0100	0.000	1	113.0100	0.000	1	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	115.2960	3.841	3	115.2960	14.753	3	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,3|C<4>,3|O<2>}	H(C[5,5,6]C[5,5,6]2O[5])	111.5430	0.000	2	111.5430	0.000	2	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	112.5700	0.000	1	112.5700	0.000	1	112.8161	4.465	26	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.2840	0.000	1	112.2840	0.000	1	112.2840	0.000	1	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	112.2535	1.354	2	112.5255	0.711	4	112.5820	1.559	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	112.7975	0.063	2	112.5255	0.711	4	112.5820	1.559	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	114.7110	0.000	1	114.7110	0.000	1	112.5820	1.559	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7980	1.369	3	112.1063	1.630	4	112.5820	1.559	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	113.0310	0.000	1	112.1063	1.630	4	112.5820	1.559	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2S[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2S[5])	109.8880	0.280	2	109.8880	0.078	2	109.8880	0.078	2	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2S[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2S[5])	109.8850	0.324	2	109.8850	0.105	2	109.8850	0.105	2	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|N<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.7865	0.501	2	113.8205	0.088	4	114.4762	1.535	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8545	0.084	2	113.8205	0.088	4	114.4762	1.535	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.6550	0.000	1	115.6550	0.000	1	114.4762	1.535	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.8967	2.042	3	114.8373	2.794	4	114.4762	1.535	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.6590	0.000	1	114.8373	2.794	4	114.4762	1.535	9	112.9100	3.726	62	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]O[5,5])	114.7835	0.103	2	114.7835	0.011	2	114.7835	0.011	2	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]O[5])	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]Br)(C[5]N[5]O)(Br)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]Br)(C[5]N[5]O)(Br){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	113.7130	0.202	2	113.7130	0.041	2	113.7130	0.041	2	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	113.9915	0.148	2	114.2245	0.084	4	114.2182	0.064	5	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	114.4575	0.120	2	114.2245	0.084	4	114.2182	0.064	5	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5,5])	114.1930	0.000	1	114.1930	0.000	1	114.2182	0.064	5	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5,5])	113.6370	0.000	1	113.6370	0.000	1	113.8807	0.055	3	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5,5])	114.0025	0.145	2	114.0025	0.021	2	113.8807	0.055	3	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7505	0.282	2	111.7505	0.080	2	111.9979	0.095	7	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.8090	0.170	2	111.8090	0.029	2	111.9979	0.095	7	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.1980	0.000	1	112.1980	0.000	1	111.9979	0.095	7	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.3190	0.000	1	112.3190	0.000	1	111.9979	0.095	7	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H){1|C<4>,2|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	112.3490	0.000	1	112.3490	0.000	1	111.9979	0.095	7	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	111.3001	0.286	8	111.3001	0.082	8	111.3001	0.082	8	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,5,6]C[5,5,6]2O[5])	111.6100	0.000	2	111.6100	0.000	2	111.6100	0.000	2	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.1860	0.000	1	112.1860	0.000	1	112.1584	0.027	5	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.1515	0.187	4	112.1515	0.035	4	112.1584	0.027	5	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.6842	0.030	4	111.6842	0.001	4	111.6842	0.001	4	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,1|P<4>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5])	110.8605	0.465	2	110.7637	0.136	3	110.7637	0.136	3	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	110.5700	0.000	1	110.7637	0.136	3	110.7637	0.136	3	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.7390	0.000	1	113.7390	0.000	1	113.8677	0.122	19	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8920	0.000	1	113.8920	0.000	1	113.8677	0.122	19	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.9013	0.770	4	113.8576	0.163	14	113.8677	0.122	19	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.7638	0.195	4	113.8576	0.163	14	113.8677	0.122	19	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8912	0.188	6	113.8576	0.163	14	113.8677	0.122	19	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.9910	0.000	1	113.9497	0.019	3	113.8677	0.122	19	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.9290	0.190	2	113.9497	0.019	3	113.8677	0.122	19	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	115.5340	0.738	4	115.5340	0.545	4	115.5340	0.545	4	112.9462	1.900	68	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	H(C[5,5,6]C[5,5,6]2S[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]2S[5])	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.5960	0.000	1	113.5960	0.000	1	113.5067	0.007	3	113.5067	0.007	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.4330	0.000	1	113.4330	0.000	1	113.5067	0.007	3	113.5067	0.007	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.4910	0.000	1	113.4910	0.000	1	113.5067	0.007	3	113.5067	0.007	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|N<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H){3|O<2>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[6])	112.0590	0.000	1	112.0590	0.000	1	112.0590	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H){2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H){2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H)	H(C[5,5,6]C[5,5,6]2O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]2O[5,5])	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H){2|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	109.8835	0.152	2	109.8835	0.023	2	109.8835	0.023	2	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(Cl)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,3|C<4>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	110.6190	0.000	2	110.6190	0.000	2	110.6190	0.000	2	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	113.6360	0.000	1	113.6360	0.000	1	113.6360	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7460	0.000	1	111.7460	0.000	1	112.1605	0.344	2	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2O[5])	112.5750	0.000	1	112.5750	0.000	1	112.1605	0.344	2	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H){2|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	109.8905	0.185	2	109.8905	0.034	2	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7500	0.000	1	111.7500	0.000	1	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7675	0.278	2	111.7675	0.077	2	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.6950	0.000	1	111.6950	0.000	1	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.7305	0.162	2	111.7305	0.026	2	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.2540	0.171	2	112.2540	0.029	2	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.8010	0.113	2	112.7610	0.011	3	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	112.6810	0.000	1	112.7610	0.011	3	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	115.3010	0.000	1	115.3010	0.000	1	112.0224	1.712	14	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2S[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2S[5])	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Se[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2Se[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2Se[5])	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	113.6720	0.146	2	113.6720	0.021	2	113.6720	0.021	2	111.8170	2.433	31	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:Se[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH)	H(C[5,5,6]C[5,5,6]2Se[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2Se[5])	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	111.9025	23.100	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,6])	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	111.9025	23.100	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(PC[6a]2Pt)(C[5]C[5]H)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(PC[6a]2Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:P-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]HH)(PC[6a]2Pt)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]HH)(PC[6a]2Pt){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	110.9475	0.408	2	110.9475	0.166	2	110.9475	0.166	2	111.2106	0.106	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5,6]C[5,5,6]2O[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2O[5])	111.2857	0.290	7	111.2857	0.084	7	111.2857	0.084	7	111.2106	0.106	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,3x6]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.0550	0.617	2	112.0550	0.380	2	112.0550	0.380	2	112.0447	0.572	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.5705	0.142	2	111.5705	0.020	2	112.0406	0.763	5	112.0447	0.572	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7400	0.180	2	111.7400	0.032	2	112.0406	0.763	5	112.0447	0.572	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	113.5820	0.000	1	113.5820	0.000	1	112.0406	0.763	5	112.0447	0.572	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CCC)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CCC){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.6130	0.000	1	111.6130	0.000	1	111.6130	0.000	1	111.0630	0.168	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9713	0.362	6	110.9713	0.131	6	110.9713	0.131	6	111.0630	0.168	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3803	0.014	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:Si-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3){1|Si<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4145	0.146	2	111.4145	0.021	2	111.4145	0.021	2	111.3803	0.014	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8745	0.064	4	111.8745	0.004	4	111.4143	0.371	7	111.4143	0.371	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6260	0.226	2	110.6260	0.051	2	111.4143	0.371	7	111.4143	0.371	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1500	0.000	1	111.1500	0.000	1	111.4143	0.371	7	111.4143	0.371	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.4571	0.725	37	110.4571	0.526	37	110.4571	0.526	37	110.4571	0.526	37	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8310	0.000	1	110.8310	0.000	1	110.8527	0.115	12	110.8882	0.122	13	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.3790	0.263	2	110.8546	0.126	11	110.8527	0.115	12	110.8882	0.122	13	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9603	0.283	9	110.8546	0.126	11	110.8527	0.115	12	110.8882	0.122	13	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	110.8882	0.122	13	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0730	0.052	2	111.0730	0.003	2	111.0730	0.003	2	111.0588	0.153	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1010	0.000	1	110.1010	0.000	1	110.9779	0.205	7	111.0588	0.153	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2618	0.184	4	111.1240	0.067	6	110.9779	0.205	7	111.0588	0.153	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8485	0.067	2	111.1240	0.067	6	110.9779	0.205	7	111.0588	0.153	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8020	0.000	1	110.8020	0.000	1	111.0745	0.149	2	111.0588	0.153	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3470	0.000	1	111.3470	0.000	1	111.0745	0.149	2	111.0588	0.153	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.5660	0.000	1	111.5660	0.000	1	111.5660	0.000	1	111.0588	0.153	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.8985	0.233	4	111.8985	0.054	4	111.8985	0.054	4	111.8985	0.054	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.8260	0.000	1	112.8260	0.000	1	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4136	1.035	5	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2795	0.268	2	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5071	0.759	18	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6850	0.000	1	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7725	0.230	2	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.0770	0.948	2	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7322	0.466	4	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7470	0.000	1	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5307	1.216	14	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5040	0.000	1	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4820	0.000	1	112.5143	0.783	51	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	113.1070	0.000	1	112.6696	0.282	7	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6037	0.690	4	112.6696	0.282	7	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5825	0.202	2	112.6696	0.282	7	112.5380	0.708	59	112.5637	0.711	61	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]N[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO){1|S<4>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]N[5])	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	112.7124	0.691	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4790	0.000	1	112.4790	0.000	1	113.1017	0.173	4	112.7124	0.691	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	113.3093	0.030	3	113.3093	0.001	3	113.1017	0.173	4	112.7124	0.691	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5675	1.172	2	112.5675	1.373	2	112.5675	1.373	2	112.7124	0.691	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7105	0.930	2	111.7105	0.865	2	111.8044	1.024	15	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6633	1.576	3	110.6633	2.484	3	111.8044	1.024	15	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.1875	0.125	2	112.0120	0.263	4	111.8044	1.024	15	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8365	0.807	2	112.0120	0.263	4	111.8044	1.024	15	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8060	0.687	2	112.2678	0.467	6	111.8044	1.024	15	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2040	0.898	2	112.2678	0.467	6	111.8044	1.024	15	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7935	0.261	2	112.2678	0.467	6	111.8044	1.024	15	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9343	0.148	3	111.9343	0.022	3	111.9343	0.022	3	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6]2N[5])	112.4433	0.128	4	112.4433	0.016	4	112.4433	0.016	4	111.9383	0.749	22	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	111.9233	1.797	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7015	1.559	2	112.7015	2.431	2	111.8445	2.963	4	111.9233	1.797	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9875	1.876	2	110.9875	3.519	2	111.8445	2.963	4	111.9233	1.797	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	111.9233	1.797	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9650	0.472	5	110.9108	0.196	6	110.9108	0.196	6	110.8904	0.166	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){2|N<3>,2|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6400	0.000	1	110.9108	0.196	6	110.9108	0.196	6	110.8904	0.166	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.8904	0.166	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	111.1776	0.176	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6030	0.000	1	110.6030	0.000	1	110.8720	0.145	2	111.1776	0.176	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1410	0.000	1	111.1410	0.000	1	110.8720	0.145	2	111.1776	0.176	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){1|H<1>,7|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4530	0.000	1	111.4530	0.000	1	111.1625	0.169	2	111.1776	0.176	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,1|O<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8720	0.000	1	110.8720	0.000	1	111.1625	0.169	2	111.1776	0.176	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:S[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	111.1776	0.176	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5,6a])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5,6a])	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	111.1776	0.176	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.0235	0.057	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:S[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H){2|C<3>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	111.0235	0.057	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	111.3660	2.335	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2390	0.000	1	111.2390	0.000	1	111.7377	2.673	3	111.3660	2.335	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9870	2.230	2	111.9870	4.974	2	111.7377	2.673	3	111.3660	2.335	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:N[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|W<6>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|W<6>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2605	0.015	2	110.2605	0.000	2	110.2605	0.000	2	110.2605	0.000	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,5])	109.1145	0.138	2	109.1145	0.019	2	109.1145	0.019	2	111.0812	3.390	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	112.2757	0.046	3	112.2757	0.002	3	112.2757	0.002	3	111.0812	3.390	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	108.3610	0.000	1	108.3610	0.000	1	108.2185	0.041	2	111.0812	3.390	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	108.0760	0.000	1	108.0760	0.000	1	108.2185	0.041	2	111.0812	3.390	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,6])	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<3>,9|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,6])	112.1720	0.670	2	112.1720	0.449	2	112.1720	0.449	2	111.0812	3.390	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	112.4135	0.962	2	112.3790	0.467	3	112.3790	0.467	3	111.0812	3.390	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	112.3100	0.000	1	112.3790	0.467	3	112.3790	0.467	3	111.0812	3.390	12	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9115	0.360	2	112.9115	0.130	2	112.9115	0.130	2	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9025	0.293	2	112.9105	0.041	4	112.8484	0.050	5	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9185	0.194	2	112.9105	0.041	4	112.8484	0.050	5	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6000	0.000	1	112.6000	0.000	1	112.8484	0.050	5	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4390	0.000	1	112.4390	0.000	1	112.8850	0.180	3	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.1080	0.249	2	113.1080	0.062	2	112.8850	0.180	3	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9860	0.262	2	111.9860	0.068	2	112.5756	0.335	7	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6360	0.115	2	112.6360	0.013	2	112.5756	0.335	7	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2700	0.000	1	112.2700	0.000	1	112.5756	0.335	7	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9390	0.000	1	112.9390	0.000	1	112.5756	0.335	7	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H){1|C<4>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	113.5760	0.000	1	113.5760	0.000	1	112.5756	0.335	7	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	102.8650	0.000	1	102.8650	0.000	1	102.8650	0.000	1	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5320	0.000	1	112.5320	0.000	1	112.5985	1.580	19	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4490	3.018	4	112.5301	2.154	14	112.5985	1.580	19	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5678	0.380	4	112.5301	2.154	14	112.5985	1.580	19	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5590	0.196	6	112.5301	2.154	14	112.5985	1.580	19	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.0130	0.000	1	113.0130	0.000	1	112.5985	1.580	19	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9850	0.000	1	112.8020	0.042	3	112.5985	1.580	19	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7105	0.185	2	112.8020	0.042	3	112.5985	1.580	19	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2160	1.202	4	112.2160	1.444	4	112.2160	1.444	4	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.5652	0.228	8	110.5652	0.052	8	110.5652	0.052	8	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]O[5,6]H)(N[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	113.2990	0.000	1	113.2990	0.000	1	113.2990	0.000	1	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0520	0.230	4	116.0520	0.053	4	115.9912	0.058	5	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7480	0.000	1	115.7480	0.000	1	115.9912	0.058	5	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.9445	0.160	4	115.9445	0.026	4	115.9445	0.026	4	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	115.7760	0.000	1	115.8483	0.133	3	115.8483	0.133	3	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,1|P<4>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	115.8845	0.508	2	115.8483	0.133	3	115.8483	0.133	3	112.8926	4.896	64	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.1750	0.069	2	111.1750	0.005	2	110.7413	0.127	12	111.1345	0.651	16	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	111.0910	0.000	1	110.7823	0.029	6	110.7413	0.127	12	111.1345	0.651	16	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.7206	0.089	5	110.7823	0.029	6	110.7413	0.127	12	111.1345	0.651	16	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO)	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]N[5])	110.4630	0.427	4	110.4630	0.182	4	110.7413	0.127	12	111.1345	0.651	16	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(COO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(COO){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7615	0.084	2	112.7615	0.007	2	112.7615	0.007	2	111.1345	0.651	16	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8665	0.370	2	111.8665	0.137	2	111.8665	0.137	2	111.1345	0.651	16	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3){2|O<1>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	112.5352	3.298	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9960	0.199	2	111.0105	0.015	4	111.0105	0.015	4	112.5352	3.298	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0250	0.062	2	111.0105	0.015	4	111.0105	0.015	4	112.5352	3.298	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	112.5352	3.298	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H){2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	112.5352	3.298	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5])	112.7900	0.014	2	112.7900	0.000	2	112.7900	0.000	2	112.5352	3.298	9	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3,5,5]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,8|H<1>}	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	116.0500	0.000	1	116.0500	0.000	1	116.0500	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	112.6065	0.237	2	112.6065	0.056	2	112.6065	0.056	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){2|N<3>,2|O<1>,3|C<3>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	112.3120	0.000	1	112.3120	0.000	1	111.7560	0.291	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.6448	0.521	5	111.6448	0.271	5	111.7560	0.291	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.2795	0.228	2	112.5697	0.137	4	112.4307	0.160	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.8600	0.146	2	112.5697	0.137	4	112.4307	0.160	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.4310	0.000	1	112.4310	0.000	1	112.4307	0.160	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	111.8740	0.000	1	111.8740	0.000	1	112.4307	0.160	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	116.0473	0.210	4	116.0473	0.044	4	115.4115	3.413	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){2|Br<1>,1|C<3>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	116.5980	0.000	1	114.1400	12.084	2	115.4115	3.413	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){3|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	111.6820	0.000	1	114.1400	12.084	2	115.4115	3.413	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9610	0.000	1	111.9585	0.000	2	111.5419	0.206	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9560	0.000	1	111.9585	0.000	2	111.5419	0.206	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.2880	0.244	3	111.2880	0.060	3	111.5419	0.206	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.7955	0.565	2	111.7955	0.319	2	111.5419	0.206	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.9630	0.000	1	110.9630	0.000	1	111.5419	0.206	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.4680	0.000	1	111.6040	0.037	2	111.8377	0.078	7	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.7400	0.000	1	111.6040	0.037	2	111.8377	0.078	7	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	112.2810	0.000	1	112.2810	0.000	1	111.8377	0.078	7	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.8438	0.206	4	111.8438	0.042	4	111.8377	0.078	7	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.5355	0.104	2	110.5355	0.011	2	110.7945	0.257	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.9320	0.000	1	110.6437	0.064	3	110.7945	0.257	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.4995	0.064	2	110.6437	0.064	3	110.7945	0.257	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.7650	0.000	1	111.7650	0.000	1	110.7945	0.257	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3,5,5]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){2|N<3>,2|O<1>,3|C<3>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6260	0.000	1	110.6260	0.000	1	110.9090	0.208	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9656	0.485	5	110.9656	0.236	5	110.9090	0.208	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4040	0.000	1	112.4040	0.000	1	112.7607	0.068	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9185	0.261	2	112.8870	0.042	4	112.7607	0.068	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.8555	0.233	2	112.8870	0.042	4	112.7607	0.068	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6120	0.000	1	112.6120	0.000	1	112.7607	0.068	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){2|Br<1>,1|C<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.0930	0.000	1	111.3725	5.920	2	111.2700	1.237	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){3|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	109.6520	0.000	1	111.3725	5.920	2	111.2700	1.237	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2188	0.279	4	111.2188	0.078	4	111.2700	1.237	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0590	0.000	1	111.3905	0.220	2	111.1132	0.310	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7220	0.000	1	111.3905	0.220	2	111.1132	0.310	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2233	0.116	3	111.2233	0.014	3	111.1132	0.310	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7395	1.199	2	110.7395	1.437	2	111.1132	0.310	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9760	0.000	1	110.9760	0.000	1	111.1132	0.310	8	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(Br)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(Br){1|H<1>,1|O<1>,1|S<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.5885	0.452	2	109.6155	1.479	4	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6425	0.115	2	109.6155	1.479	4	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9115	0.320	2	112.9115	0.103	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){2|Br<1>,1|C<3>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3320	0.000	1	111.3320	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){2|Br<1>,1|C<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	107.8980	0.000	1	107.8980	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2250	0.262	4	111.2250	0.068	4	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1880	0.010	2	110.1880	0.000	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7775	0.245	2	110.7775	0.060	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	113.9565	0.170	2	113.9565	0.029	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.6803	0.188	3	110.1810	0.178	9	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.4313	0.212	6	110.1810	0.178	9	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0970	0.535	2	110.0970	0.286	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0175	0.186	2	111.0175	0.035	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|B<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9520	0.634	2	111.9520	0.401	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0820	0.000	1	111.0820	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8780	0.000	1	112.5557	2.284	3	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.3945	0.588	2	112.5557	2.284	3	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Cr<9>,1|C<2>,1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	106.3710	0.000	1	106.3710	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|B<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9540	0.214	2	111.9540	0.046	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7280	0.000	1	111.7280	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8640	0.000	1	114.9240	14.102	3	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	116.9540	1.865	2	114.9240	14.102	3	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	116.0810	0.000	1	116.0810	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7580	0.000	1	112.2569	0.936	7	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3400	1.032	6	112.2569	0.936	7	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	114.4230	0.000	1	114.4230	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3900	0.000	1	111.9876	0.704	7	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.0872	0.873	6	111.9876	0.704	7	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2589	1.658	18	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6240	0.201	2	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6000	0.000	1	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.6800	0.249	2	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3025	0.078	2	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1640	0.000	1	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1234	0.327	48	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1395	0.547	4	111.3861	0.936	78	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7073	1.498	4	111.6920	1.301	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9695	0.691	2	111.6920	1.301	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4980	0.161	2	111.6920	1.301	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3190	0.666	2	111.6920	1.301	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9510	0.102	2	111.6920	1.301	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	115.5470	0.525	2	115.5470	0.275	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	112.1725	0.112	2	111.4172	0.352	6	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0365	0.149	2	111.4172	0.352	6	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0425	0.121	2	111.4172	0.352	6	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	117.1555	0.743	2	114.7035	6.269	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4760	0.000	1	114.7035	6.269	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	116.0372	2.182	5	114.7035	6.269	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3672	0.742	4	114.7035	6.269	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8115	0.713	2	111.8115	0.509	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	113.2880	0.062	3	113.2880	0.004	3	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7800	0.034	2	112.7800	0.001	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	118.4330	0.843	2	115.1352	6.680	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	116.2426	1.929	5	115.1352	6.680	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7490	0.000	1	115.1352	6.680	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6985	0.433	4	115.1352	6.680	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.8753	1.439	18	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	115.8130	0.000	1	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.6677	1.088	4	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7735	0.149	2	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	116.9685	0.050	2	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	117.2330	0.000	1	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5765	0.350	4	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.9424	2.089	14	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6925	0.266	8	113.4444	3.003	54	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	117.9130	0.000	1	117.9130	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	115.6587	2.850	4	114.2576	5.740	8	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.7380	0.223	2	114.2576	5.740	8	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9300	0.000	1	114.2576	5.740	8	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.0200	0.000	1	114.2576	5.740	8	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.1860	0.000	1	113.1860	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5955	1.115	2	112.5955	1.243	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6930	0.000	1	112.6930	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.5830	0.088	2	111.5830	0.008	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H){2|C<3>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8450	0.000	1	110.8450	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8550	0.000	1	110.8550	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9577	0.115	3	111.9577	0.013	3	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.1175	0.252	2	113.1175	0.064	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Cr<9>,1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2890	0.000	1	111.2890	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	113.8860	1.295	2	113.8860	1.678	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|Cl<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|Cl<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1737	0.233	4	112.2961	2.129	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){4|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){4|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.8572	1.498	8	112.2961	2.129	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0310	0.034	2	111.0310	0.001	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	114.8077	1.383	4	114.4241	2.756	8	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	114.0405	2.031	4	114.4241	2.756	8	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8658	0.338	12	110.8658	0.115	12	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6965	1.102	38	110.6965	1.215	38	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0910	0.269	6	111.0910	0.072	6	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2850	0.000	1	111.2850	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1110	0.000	1	111.1110	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6065	0.196	2	111.3750	0.504	5	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8873	0.069	3	111.3750	0.504	5	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.6050	0.000	1	111.4785	0.032	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3520	0.000	1	111.4785	0.032	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9475	0.346	6	110.9475	0.119	6	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.6660	0.188	4	111.6660	0.035	4	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4095	0.101	2	111.4095	0.010	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	118.6920	0.000	1	118.6920	0.000	1	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9015	0.392	2	111.9015	0.154	2	112.1359	3.838	370	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0200	0.000	1	111.4555	0.379	2	111.4555	0.379	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8910	0.000	1	111.4555	0.379	2	111.4555	0.379	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	114.4950	0.000	1	114.4950	0.000	1	112.8708	1.178	4	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3293	0.092	3	112.3293	0.009	3	112.8708	1.178	4	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){4|Cl<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0800	0.000	1	111.0800	0.000	1	111.3226	0.392	14	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){4|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3162	0.743	8	111.3162	0.551	8	111.3226	0.392	14	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|Cl<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1585	0.237	4	111.1585	0.056	4	111.3226	0.392	14	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2720	0.000	1	112.2720	0.000	1	111.3226	0.392	14	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7160	0.000	1	111.7160	0.000	1	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9580	0.000	1	110.9580	0.000	1	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9720	0.000	1	109.9720	0.000	1	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3975	0.680	2	111.3975	0.462	2	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9640	0.000	1	110.9640	0.000	1	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|B<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8985	0.646	2	111.8985	0.417	2	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9020	0.000	1	110.0720	6.807	4	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2980	0.000	1	110.0720	6.807	4	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7920	0.000	1	110.0720	6.807	4	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	106.2960	0.000	1	110.0720	6.807	4	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|B<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9435	0.176	2	111.6958	0.171	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8900	0.000	1	111.6958	0.171	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7430	0.000	1	111.6958	0.171	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9200	0.000	1	111.6958	0.171	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7350	0.000	1	111.6958	0.171	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3600	0.000	1	111.3600	0.000	1	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.6504	0.747	18	111.2513	0.264	75	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6290	0.201	2	111.2513	0.264	75	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1300	0.332	50	111.2513	0.264	75	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2762	0.245	5	111.2513	0.264	75	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3660	0.000	1	111.3660	0.000	1	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2750	0.000	1	111.3760	0.068	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3075	0.238	4	111.3760	0.068	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7510	0.000	1	111.3760	0.068	6	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4935	0.132	2	111.4935	0.017	2	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2325	0.350	2	111.2325	0.123	2	111.2471	0.501	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2490	0.000	1	112.2490	0.000	1	112.5865	0.228	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9240	0.000	1	112.9240	0.000	1	112.5865	0.228	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:P[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,6]N[5,5]W)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|W<6>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,6]N[5,5]W)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2360	0.099	2	110.2360	0.010	2	110.2360	0.010	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.6710	0.000	1	111.6710	0.000	1	111.4988	0.794	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.5815	0.107	2	111.5815	0.011	2	111.4988	0.794	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5845	0.145	2	110.5845	0.021	2	111.4988	0.794	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.9900	0.000	1	112.9900	0.000	1	111.4988	0.794	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:S[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,4|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.0090	0.000	1	111.4895	0.540	2	111.4895	0.540	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.9700	0.000	1	111.4895	0.540	2	111.4895	0.540	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.8915	0.274	2	112.8915	0.075	2	112.8915	0.075	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H)	H(C[5,5,6]C[5,5,6]2N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,6])	112.2507	0.030	4	112.2507	0.001	4	112.2507	0.001	4	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.3870	0.000	1	111.4510	0.008	2	112.0650	0.276	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.5150	0.000	1	111.4510	0.008	2	112.0650	0.276	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.9970	0.000	1	111.9970	0.000	1	112.0650	0.276	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,5,6]2N[5])	112.4970	0.161	3	112.4970	0.026	3	112.0650	0.276	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.9990	0.000	1	111.9990	0.000	1	112.6052	0.166	4	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	112.8073	0.065	3	112.8073	0.004	3	112.6052	0.166	4	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	121.1105	0.029	2	121.1105	0.001	2	117.9240	30.462	3	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.5510	0.000	1	111.5510	0.000	1	117.9240	30.462	3	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.4950	0.000	1	111.4950	0.000	1	109.5717	2.809	3	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	108.6100	0.262	2	108.6100	0.068	2	109.5717	2.809	3	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,2|H<1>,2|N<2>}	H(C[5,5,6]C[5,5,6]2N[5])	113.2490	0.000	1	113.2490	0.000	1	113.2490	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8560	0.030	2	115.8560	0.001	2	115.8963	0.003	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9550	0.018	2	115.9157	0.005	3	115.8963	0.003	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8370	0.000	1	115.9157	0.005	3	115.8963	0.003	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9190	0.000	1	115.9190	0.000	1	115.8963	0.003	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0930	0.000	1	116.0930	0.000	1	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.6770	0.000	1	113.6770	0.000	1	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8800	0.000	1	115.8800	0.000	1	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0875	0.209	2	116.0875	0.044	2	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8970	0.000	1	115.8970	0.000	1	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|B<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]B[6a]C[5])(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1485	0.045	2	116.1485	0.002	2	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0360	0.000	1	115.9393	0.205	4	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3820	0.000	1	115.9393	0.205	4	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.3060	0.000	1	115.9393	0.205	4	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0330	0.000	1	115.9393	0.205	4	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1520	0.000	1	116.2395	0.018	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|B<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3075	0.255	2	116.2395	0.018	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1510	0.000	1	116.2395	0.018	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2770	0.000	1	116.2395	0.018	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2420	0.000	1	116.2395	0.018	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2570	0.000	1	116.2570	0.000	1	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.4236	1.438	17	116.0119	0.597	75	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1340	0.130	2	116.0119	0.597	75	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1933	0.261	51	116.0119	0.597	75	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1134	0.090	5	116.0119	0.597	75	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8588	1.528	4	115.3212	1.914	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3030	0.000	1	115.3212	1.914	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1890	0.000	1	115.3212	1.914	6	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3910	0.272	2	116.3910	0.074	2	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3070	0.000	1	116.3070	0.000	1	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0930	0.062	2	116.0930	0.004	2	115.9768	0.612	105	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1855	0.268	2	116.1855	0.072	2	116.1855	0.072	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0270	0.000	1	116.0270	0.000	1	115.8323	0.038	3	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7350	0.140	2	115.7350	0.020	2	115.8323	0.038	3	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.5120	0.000	1	115.5120	0.000	1	115.3430	0.057	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.1740	0.000	1	115.1740	0.000	1	115.3430	0.057	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,2|H<1>,2|N<2>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,6]N[5,5]W)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]P[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,6]N[5,5]W)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|W<6>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]P[5,5,6]C[5])	111.2200	0.515	2	111.2200	0.265	2	111.2200	0.265	2	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(Br)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(Br){1|H<1>,1|O<1>,1|S<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	115.6250	0.000	1	115.6250	0.000	1	114.6867	5.772	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	111.8940	2.061	2	111.8940	4.246	2	114.6867	5.772	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	116.6305	0.008	2	116.6305	0.000	2	114.6867	5.772	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	115.4460	0.000	1	115.4460	0.000	1	114.6867	5.772	6	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:S[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,6]S[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,4|O<1>}	H(C[5,5,6]C[5,5,6]C[5,6]S[5,5])	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	P[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	P[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H)	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]P[3x5,6]C[5])	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|W<6>,3|C<4>}	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|W<6>,3|C<4>}	H(C[5,5,6]C[5,5,6]P[3x5,6]C[5])	111.4230	0.357	3	111.4230	0.128	3	111.4230	0.128	3	112.6335	4.993	736	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.6170	0.314	3	116.6170	0.098	3	116.6170	0.098	3	116.4942	0.126	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	116.4942	0.126	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4320	0.000	1	111.4320	0.000	1	111.1555	0.153	2	112.2423	4.230	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|O<1>,4|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8790	0.000	1	110.8790	0.000	1	111.1555	0.153	2	112.2423	4.230	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|O<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.4340	0.000	1	110.4340	0.000	1	110.4340	0.000	1	112.2423	4.230	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4990	1.789	2	112.4990	3.200	2	112.4990	3.200	2	112.2423	4.230	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(C[5]N[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	112.2423	4.230	6	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.5520	0.092	2	110.5520	0.008	2	110.5520	0.008	2	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,2|O<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1370	0.000	1	111.1637	0.010	3	111.4990	0.457	4	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1770	0.140	2	111.1637	0.010	3	111.4990	0.457	4	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5050	0.000	1	112.5050	0.000	1	111.4990	0.457	4	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2125	0.206	2	111.2125	0.042	2	110.0943	2.968	6	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2600	0.714	2	110.2600	0.510	2	110.0943	2.968	6	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8640	0.000	1	110.8640	0.000	1	110.0943	2.968	6	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]P[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]P[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<1>}	H(C[5,5,6]C[5,5,6]2C[5])	106.7570	0.000	1	106.7570	0.000	1	110.0943	2.968	6	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6]C[6]2Cr)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Cr<9>,1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6]C[6]2Cr){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9680	0.000	1	115.9680	0.000	1	115.8630	0.033	9	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7370	0.164	2	115.7370	0.027	2	115.8630	0.033	9	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8365	0.029	2	115.9510	0.027	4	115.8630	0.033	9	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0655	0.162	2	115.9510	0.027	4	115.8630	0.033	9	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7605	0.247	2	115.7605	0.061	2	115.8630	0.033	9	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	111.9965	0.111	2	111.9965	0.012	2	111.9965	0.012	2	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	112.9247	7.094	25	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H){1|C<4>,3|C<3>,3|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[3,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.5920	0.112	2	110.5920	0.012	2	110.5920	0.012	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[4,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.7103	0.097	3	110.7103	0.009	3	110.7103	0.009	3	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.6770	0.000	1	110.5658	0.118	4	110.5658	0.118	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.0560	0.000	1	110.5658	0.118	4	110.5658	0.118	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.7650	0.044	2	110.5658	0.118	4	110.5658	0.118	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H)	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.1490	0.000	1	111.1490	0.000	1	111.9401	0.230	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	112.0531	0.387	7	112.0531	0.150	7	111.9401	0.230	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9230	0.000	1	111.9350	0.000	2	111.9350	0.000	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9470	0.000	1	111.9350	0.000	2	111.9350	0.000	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	112.0089	0.381	8	112.0089	0.146	8	111.7403	0.451	11	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9760	0.000	1	111.0240	0.689	3	111.7403	0.451	11	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.5480	0.133	2	111.0240	0.689	3	111.7403	0.451	11	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9090	0.000	1	111.5748	0.165	6	111.6739	0.161	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.3543	0.285	3	111.5748	0.165	6	111.6739	0.161	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.7385	0.592	2	111.5748	0.165	6	111.6739	0.161	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	112.2540	0.000	1	111.8760	0.286	2	111.6739	0.161	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.4980	0.000	1	111.8760	0.286	2	111.6739	0.161	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.8640	0.000	1	111.8640	0.000	1	111.6739	0.161	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6000	0.093	2	110.6000	0.009	2	109.5973	1.425	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.5945	0.496	2	108.5945	0.246	2	109.5973	1.425	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2375	0.107	2	110.2375	0.011	2	110.5135	0.122	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7895	0.223	2	110.7895	0.050	2	110.5135	0.122	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.7405	0.206	4	110.1488	0.182	9	110.1488	0.182	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.4754	0.181	5	110.1488	0.182	9	110.1488	0.182	9	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:B[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H){1|N<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7360	0.000	1	110.7360	0.000	1	111.2280	0.484	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7200	0.000	1	111.7200	0.000	1	111.2280	0.484	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2075	0.388	2	111.2075	0.151	2	111.2075	0.151	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.4700	0.000	1	110.4700	0.000	1	110.7331	0.444	7	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	109.6360	0.000	1	109.9530	0.201	2	110.7331	0.444	7	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2700	0.000	1	109.9530	0.201	2	110.7331	0.444	7	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0365	0.251	2	111.0365	0.063	2	110.7331	0.444	7	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.6490	0.000	1	111.3415	0.189	2	110.7331	0.444	7	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0340	0.000	1	111.3415	0.189	2	110.7331	0.444	7	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.8800	0.000	1	113.8800	0.000	1	111.6552	2.804	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9690	0.000	1	109.9690	0.000	1	111.6552	2.804	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3860	0.689	2	111.3860	0.474	2	111.6552	2.804	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){3|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H){2|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6870	0.000	1	112.6870	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3950	0.000	1	112.3950	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2970	0.000	1	110.2970	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8720	0.000	1	110.4633	0.331	3	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2590	0.642	2	110.4633	0.331	3	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2530	0.000	1	111.7560	0.494	2	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2590	0.000	1	111.7560	0.494	2	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6000	0.000	1	112.6000	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8130	0.000	1	110.8130	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7260	0.000	1	111.7260	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9280	0.000	1	111.9280	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7530	0.000	1	111.7530	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6215	0.028	2	110.6215	0.001	2	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3176	0.291	5	111.3176	0.085	5	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3700	0.000	1	111.3700	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7370	0.000	1	111.7370	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4170	0.000	1	112.4170	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5675	0.144	2	112.5675	0.021	2	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	113.4680	0.673	2	112.8927	1.220	3	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7420	0.000	1	112.8927	1.220	3	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	109.8510	0.000	1	109.8510	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){4|Cl<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){4|Cl<1>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.0820	0.000	1	111.0820	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H){2|Cl<1>,1|C<3>,1|O<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2930	0.000	1	112.2930	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1620	0.000	1	110.1620	0.000	1	111.5518	0.932	32	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:S[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(S[5]C[5]OO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,4|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6610	0.000	1	110.6610	0.000	1	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1295	0.236	4	111.1295	0.056	4	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6955	1.234	2	110.6955	1.523	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3610	0.000	1	111.3610	0.000	1	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1260	0.000	1	111.1260	0.000	1	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5235	1.718	2	110.7750	1.665	3	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2780	0.000	1	110.7750	1.665	3	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7670	0.000	1	111.7152	2.177	9	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2202	0.945	6	111.7152	2.177	9	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1745	2.583	2	111.7152	2.177	9	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.5420	0.000	1	109.5420	0.000	1	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4788	0.389	6	111.4788	0.151	6	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6340	0.085	2	110.6340	0.007	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8310	0.000	1	111.3016	0.277	5	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1693	0.503	4	111.3016	0.277	5	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2705	2.447	2	110.2705	5.989	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.1785	0.045	2	109.1785	0.002	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2390	0.689	2	111.2390	0.474	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.9525	0.125	2	110.9525	0.016	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4210	0.618	2	111.4210	0.382	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	114.6560	0.000	1	114.6560	0.000	1	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.2840	0.088	3	112.2840	0.008	3	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9770	0.267	2	111.9770	0.071	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6290	0.062	2	112.6290	0.004	2	111.3180	1.329	53	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:P[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]P[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]P[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H){1|N<3>,4|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.6160	0.232	2	112.6160	0.054	2	112.6160	0.054	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H){1|N<3>,4|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.6345	0.127	2	112.6345	0.016	2	112.7802	0.083	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.9260	0.383	2	112.9260	0.147	2	112.7802	0.083	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	112.0000	0.000	1	111.5230	0.455	2	110.7525	0.264	10	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	111.0460	0.000	1	111.5230	0.455	2	110.7525	0.264	10	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2N[5,5])	110.5599	0.251	8	110.5599	0.063	8	110.7525	0.264	10	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)	H(C[5,5,6]C[5,5,6]2N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	H(C[5,5,6]C[5,5,6]2N[5,6])	112.3850	0.085	4	112.3850	0.007	4	112.3850	0.007	4	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3,5]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H)	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<2>,1|N<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H){1|C<2>,1|C<4>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	109.2900	0.000	1	109.2900	0.000	1	111.8085	1.371	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.4080	0.000	1	111.4080	0.000	1	111.8085	1.371	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.4160	0.000	1	111.4160	0.000	1	111.8085	1.371	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	111.9910	0.000	1	111.9910	0.000	1	111.8085	1.371	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	112.0070	0.000	1	112.0070	0.000	1	111.8085	1.371	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2N[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2N[5])	112.7853	0.047	3	112.7853	0.002	3	111.8085	1.371	8	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9830	0.000	1	115.9830	0.000	1	115.9830	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.7340	0.000	1	113.7340	0.000	1	113.7340	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H){2|Br<1>,1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8470	0.000	1	115.8470	0.000	1	115.8680	0.001	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8890	0.000	1	115.8890	0.000	1	115.8680	0.001	2	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6495	0.138	2	115.6773	0.010	4	115.7928	0.038	6	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7050	0.082	2	115.6773	0.010	4	115.7928	0.038	6	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0240	0.000	2	116.0240	0.000	2	115.7928	0.038	6	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	111.8180	0.000	1	111.8180	0.000	1	115.0840	3.352	5	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9600	0.000	1	115.9600	0.000	1	115.0840	3.352	5	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8115	0.203	2	115.8115	0.041	2	115.0840	3.352	5	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0190	0.000	1	116.0190	0.000	1	115.0840	3.352	5	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.3230	0.156	3	115.3230	0.024	3	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	120.6330	0.000	1	120.6330	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9440	0.000	1	115.9440	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H){3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9010	0.000	1	115.9010	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6755	0.211	2	115.6755	0.045	2	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1500	0.000	1	116.1500	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.5730	0.000	1	115.8035	0.106	2	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0340	0.000	1	115.8035	0.106	2	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9010	0.000	1	115.9010	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8640	0.000	1	115.8640	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7150	0.000	1	115.7150	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0504	0.240	5	116.0504	0.058	5	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7820	0.000	1	115.7820	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8200	0.000	1	115.8200	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8685	0.173	2	115.8685	0.030	2	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.8185	0.083	2	116.8185	0.007	2	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6370	0.000	1	115.6370	0.000	1	116.0731	1.008	26	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	112.1570	0.180	2	112.1570	0.032	2	112.4893	0.347	3	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	113.1540	0.000	1	113.1540	0.000	1	112.4893	0.347	3	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]P[5,5]H)(P[5]C[6a]C[5]Pt)(H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]P[5,5]H)(P[5]C[6a]C[5]Pt)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	112.1792	4.141	238	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5])	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	107.4190	0.000	1	107.4190	0.000	1	107.4190	0.000	1	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C){2|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO)	H(C[5,5,6]C[5,5,6]2N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO){2|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,6])	112.3835	0.088	4	112.3835	0.008	4	112.3261	0.009	7	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO)	H(C[5,5,6]C[5,5,6]2N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO){2|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2N[5,6])	112.2497	0.036	3	112.2497	0.001	3	112.3261	0.009	7	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.5890	0.000	1	115.5890	0.000	1	115.5915	0.000	2	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.5940	0.000	1	115.5940	0.000	1	115.5915	0.000	2	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8990	0.000	1	115.8990	0.000	1	115.9407	0.036	6	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]2H)(C[5]O[5]O)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]2H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2480	0.000	1	116.2480	0.000	1	115.9407	0.036	6	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,8|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0440	0.000	1	116.0440	0.000	1	115.9407	0.036	6	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8177	0.118	3	115.8177	0.014	3	115.9407	0.036	6	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H){1|Si<4>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(PC[6a]2Pt)(C[5]C[5]H)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(PC[6a]2Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	115.8160	0.000	1	115.8160	0.000	1	115.8160	0.000	1	113.4479	7.079	19	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H){3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	112.1016	10.819	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H){10|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|S<2>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	109.0360	0.105	2	109.0360	0.011	2	109.0360	0.011	2	112.1016	10.819	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:P-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]HH)(PC[6a]2Pt)	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]HH)(PC[6a]2Pt){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]P[5,5])	115.5415	0.493	2	115.5415	0.243	2	115.5415	0.243	2	112.1016	10.819	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:3:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	111.6040	0.173	2	111.6040	0.030	2	111.6040	0.030	2	111.6040	0.030	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	112.8460	6.017	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H)	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	112.8460	6.017	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9060	0.000	1	114.8315	0.011	2	114.8315	0.011	2	112.8460	6.017	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7570	0.000	1	114.8315	0.011	2	114.8315	0.011	2	112.8460	6.017	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|Se<2>,1|C<4>,1|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H){1|Se<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6535	0.032	2	113.6535	0.001	2	113.6535	0.001	2	113.6535	0.001	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.0800	0.000	1	111.1315	0.005	2	111.1315	0.005	2	111.8724	0.493	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.1830	0.000	1	111.1315	0.005	2	111.1315	0.005	2	111.8724	0.493	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4080	0.000	1	112.4080	0.000	1	112.1688	0.354	5	111.8724	0.493	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H){3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2870	0.000	1	111.2870	0.000	1	112.1688	0.354	5	111.8724	0.493	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8450	0.000	1	111.8450	0.000	1	112.1688	0.354	5	111.8724	0.493	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6520	0.103	2	112.6520	0.011	2	112.1688	0.354	5	111.8724	0.493	7	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	111.1585	0.836	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.1585	0.836	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6050	0.000	1	114.6188	0.004	4	114.6188	0.004	4	114.6188	0.004	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5520	0.000	1	114.6188	0.004	4	114.6188	0.004	4	114.6188	0.004	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6590	0.055	2	114.6188	0.004	4	114.6188	0.004	4	114.6188	0.004	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H){2|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.1100	0.000	1	114.1100	0.000	1	114.3425	0.108	2	113.6017	1.701	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5750	0.000	1	114.5750	0.000	1	114.3425	0.108	2	113.6017	1.701	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	113.6017	1.701	3	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.7905	0.495	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	110.7905	0.495	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H)	H(C[5,5,6]C[5,5,6]2C[4,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2C[4,5])	112.0280	0.161	2	112.0280	0.026	2	112.0280	0.026	2	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]2C[4,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[4,5])	112.0165	0.293	2	112.0165	0.086	2	112.0165	0.086	2	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.2190	0.000	1	114.2190	0.000	1	114.2190	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H){2|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3930	0.000	1	111.3930	0.000	1	111.3930	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6380	0.000	1	110.6380	0.000	1	111.4785	1.413	2	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3190	0.000	1	112.3190	0.000	1	111.4785	1.413	2	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:N[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|N<2>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5])(H){2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3500	0.000	1	114.3500	0.000	1	114.3500	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H){2|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.6490	0.000	1	113.6490	0.000	1	113.6490	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8310	0.034	2	114.1763	1.286	3	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	112.8670	0.000	1	114.1763	1.286	3	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9890	0.000	1	114.9890	0.000	1	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0710	0.066	2	115.0710	0.004	2	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6645	0.043	2	114.6645	0.002	2	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1490	0.014	2	115.1490	0.000	2	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.8580	0.000	1	113.8580	0.000	1	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9770	0.000	1	114.9770	0.000	1	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[4,5])(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3605	0.169	2	114.3605	0.029	2	114.6316	0.396	14	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Se[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H){3|O<2>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	113.6154	1.972	29	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8850	0.000	1	114.8850	0.000	1	112.8695	11.590	4	112.8695	11.590	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	107.7860	0.000	1	112.1977	14.676	3	112.8695	11.590	4	112.8695	11.590	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4035	0.398	2	112.1977	14.676	3	112.8695	11.590	4	112.8695	11.590	4	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5,5])	110.1670	0.283	2	110.1670	0.080	2	110.1670	0.080	2	112.9193	2.122	10	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.5940	0.170	2	113.6240	0.013	6	113.6074	0.011	8	112.9193	2.122	10	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6390	0.108	4	113.6240	0.013	6	113.6074	0.011	8	112.9193	2.122	10	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.5575	0.053	2	113.5575	0.003	2	113.6074	0.011	8	112.9193	2.122	10	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	H(C[5,5,6]C[3,5,5,6]C[5,5,6]C[5,6])	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[5,5,6]C[3,5,5,6]C[5,5,6]C[5,6])	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]2)	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]2)	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	115.3495	0.078	2	115.3495	0.006	2	115.0842	0.096	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	114.8190	0.021	2	114.8190	0.000	2	115.0842	0.096	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<2>,1|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	H(C[5,5,6]C[4,5,6,6]C[5,5,6]C[5,6])	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[5,5,6]C[4,5,6,6]C[5,5,6]C[5,6])	114.3600	0.366	3	114.3600	0.134	3	114.3600	0.134	3	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	114.9885	0.161	2	114.9885	0.026	2	115.1702	0.053	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.3520	0.006	2	115.3520	0.000	2	115.1702	0.053	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.8880	0.001	2	114.6220	0.168	4	114.6220	0.168	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.0240	0.000	1	114.6220	0.168	4	114.6220	0.168	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.6880	0.000	1	114.6220	0.168	4	114.6220	0.168	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	114.0810	0.000	1	114.0810	0.000	1	113.9563	0.096	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	113.9408	0.328	8	113.9408	0.108	8	113.9563	0.096	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	114.7005	0.126	4	114.8284	0.049	9	114.8284	0.049	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	114.9308	0.239	5	114.8284	0.049	9	114.8284	0.049	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H){1|N<3>,4|H<1>,7|C<4>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.5470	0.315	2	115.5470	0.099	2	115.5470	0.099	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:B[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H)	H(C[5,5,6]C[5,5,6]2B[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H){1|N<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]2B[5,5])	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H){1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H)	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H){1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.2710	0.000	1	110.2710	0.000	1	110.4075	0.037	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.5440	0.000	1	110.5440	0.000	1	110.4075	0.037	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H){2|Br<1>,1|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.4640	0.000	1	110.4640	0.000	1	110.5040	0.003	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.5440	0.000	1	110.5440	0.000	1	110.5040	0.003	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.3080	0.215	2	110.3080	0.046	2	110.3080	0.046	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.6580	0.382	2	110.7078	0.188	4	110.5810	0.157	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.7575	0.640	2	110.7078	0.188	4	110.5810	0.157	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.3275	0.165	2	110.3275	0.027	2	110.5810	0.157	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H)	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H){1|C<4>,3|C<3>,3|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	110.2260	0.000	1	110.2260	0.000	1	110.2260	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4480	0.000	1	114.3790	0.010	2	114.3790	0.010	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){5|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.3100	0.000	1	114.3790	0.010	2	114.3790	0.010	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4320	0.000	1	114.4320	0.000	1	114.4220	0.016	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4850	0.000	1	114.4850	0.000	1	114.4220	0.016	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4490	0.000	1	114.3110	0.038	2	114.4220	0.016	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.1730	0.000	1	114.3110	0.038	2	114.4220	0.016	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4965	0.012	2	114.4965	0.000	2	114.4220	0.016	6	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H){1|C<2>,1|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	108.4360	0.000	1	108.4360	0.000	1	109.9838	1.142	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.2210	0.000	1	110.2210	0.000	1	109.9838	1.142	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.6390	0.341	2	110.6390	0.116	2	109.9838	1.142	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	112.3335	0.092	4	112.3335	0.008	4	112.3335	0.008	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.4550	0.000	1	111.4550	0.000	1	110.5502	0.387	5	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.1950	0.000	1	110.1950	0.000	1	110.5502	0.387	5	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.6180	0.355	2	110.6180	0.126	2	110.5502	0.387	5	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	109.8650	0.000	1	109.8650	0.000	1	110.5502	0.387	5	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H){2|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br){1|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.5387	0.416	8	111.5387	0.173	8	111.0288	0.926	11	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1830	0.000	1	109.6690	0.208	3	111.0288	0.926	11	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4120	0.137	2	109.6690	0.208	3	111.0288	0.926	11	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H){2|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){3|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	108.3500	0.000	1	108.3500	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4260	0.000	1	109.4260	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1560	0.000	1	110.1560	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0350	0.000	1	110.3570	0.080	3	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5180	0.064	2	110.3570	0.080	3	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.3170	0.000	1	110.5360	0.096	2	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7550	0.000	1	110.5360	0.096	2	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5770	0.000	1	110.5770	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9540	0.000	1	109.9540	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4510	0.000	1	111.4510	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9240	0.000	1	109.9240	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6490	0.000	1	110.6490	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0490	0.000	1	110.0490	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1840	0.116	5	110.1840	0.013	5	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.8890	0.000	1	109.8890	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7150	0.000	1	110.7150	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7890	0.000	1	111.7890	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8540	0.000	1	111.8540	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.5995	0.175	2	112.5995	0.031	2	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5820	0.024	2	111.2857	1.486	3	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6930	0.000	1	111.2857	1.486	3	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){4|Cl<1>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){4|Cl<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6150	0.000	1	110.6150	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H){2|Cl<1>,1|C<3>,1|O<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9250	0.000	1	109.9250	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.7290	0.000	1	109.7290	0.000	1	110.5539	0.899	31	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H){4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H){1|N<3>,4|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	107.6290	0.267	2	107.6290	0.071	2	107.9193	0.146	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	108.2095	0.175	2	108.2095	0.031	2	107.9193	0.146	4	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Br)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Br){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4860	0.000	2	109.4860	0.000	2	109.4860	0.000	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){4|Cl<1>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6290	0.000	1	110.6290	0.000	1	110.3255	0.184	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H){2|Cl<1>,1|C<3>,1|O<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0220	0.000	1	110.0220	0.000	1	110.3255	0.184	2	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2720	0.000	1	110.2720	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H){3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0680	0.000	1	110.0680	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4430	0.078	2	109.4430	0.006	2	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1680	0.000	1	110.1680	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.3107	0.367	3	110.3107	0.135	3	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.3010	0.000	1	110.4610	0.051	2	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6210	0.000	1	110.4610	0.051	2	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0670	0.000	1	110.0670	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	106.6950	0.000	1	106.6950	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.8880	0.000	1	109.8880	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0480	0.000	1	110.0480	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.2230	0.000	1	109.2230	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2212	0.155	5	110.2212	0.024	5	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9010	0.000	1	109.9010	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6900	0.000	1	110.6900	0.000	1	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.1300	0.211	2	109.1300	0.044	2	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.2260	0.156	2	108.2260	0.024	2	109.7530	0.817	26	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.8000	0.458	2	110.8000	0.210	2	110.4910	0.391	3	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.8730	0.000	1	109.8730	0.000	1	110.4910	0.391	3	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:P[5]-4:H-1:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]P[5,5]H)(P[5]C[6a]C[5]Pt)(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	H(C[5,5,6]C[5,5,6]2P[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]P[5,5]H)(P[5]C[6a]C[5]Pt)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5,5,6]C[5,5,6]2P[5])	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(S[5]C[5]OO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]2S[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,4|O<1>}	H(C[5,5,6]C[5,5,6]2S[5])	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4120	0.000	1	114.7763	0.038	6	114.7643	0.028	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8840	0.096	3	114.7763	0.038	6	114.7643	0.028	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7970	0.038	2	114.7763	0.038	6	114.7643	0.028	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6090	0.000	1	114.7290	0.029	2	114.7643	0.028	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8490	0.000	1	114.7290	0.029	2	114.7643	0.028	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7630	0.000	1	114.7630	0.000	1	114.7643	0.028	9	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(Cl)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(Cl){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8000	0.000	1	114.8000	0.000	1	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]N)(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9980	0.000	1	114.9980	0.000	1	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5415	0.048	4	114.5415	0.002	4	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6670	0.140	2	114.6670	0.020	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8960	0.000	1	114.8960	0.000	1	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8800	0.000	1	114.8800	0.000	1	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4760	0.000	1	113.5530	1.620	3	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.0915	1.401	2	113.5530	1.620	3	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1090	0.000	1	114.0490	1.985	10	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.7216	1.576	7	114.0490	1.985	10	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6650	0.569	2	114.0490	1.985	10	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	111.5780	0.000	1	111.5780	0.000	1	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0820	0.858	6	114.0820	0.737	6	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6523	0.182	4	114.7132	0.043	5	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9570	0.000	1	114.7132	0.043	5	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.1655	0.480	2	114.1655	0.231	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7840	0.280	2	114.7840	0.078	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	112.8190	0.000	1	112.8190	0.000	1	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7600	0.010	3	114.7600	0.000	3	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9550	0.156	2	114.9550	0.024	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6680	0.040	2	114.6680	0.002	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	112.9860	0.328	2	112.9860	0.108	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6570	0.602	2	115.6570	0.363	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6330	0.105	2	114.6330	0.011	2	114.3142	0.969	53	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8570	0.220	8	114.8570	0.048	8	114.8585	0.041	10	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9870	0.000	1	114.8645	0.030	2	114.8585	0.041	10	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7420	0.000	1	114.8645	0.030	2	114.8585	0.041	10	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5930	0.000	1	114.5930	0.000	1	114.7644	0.264	8	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8140	0.000	1	114.8140	0.000	1	114.7644	0.264	8	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7080	0.000	1	114.7080	0.000	1	114.7644	0.264	8	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1310	0.000	1	115.1310	0.000	1	114.7644	0.264	8	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.6090	0.000	1	113.6090	0.000	1	114.7644	0.264	8	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0867	0.122	3	115.0867	0.015	3	114.7644	0.264	8	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]P[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5,6]P[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]P[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5,5,6]C[5,5,6]P[5,5,6]C[5])	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	112.4815	5.495	242	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	105.1030	0.000	1	105.1030	0.000	1	105.1030	0.000	1	109.7848	7.075	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<2>,1|S<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	109.7848	7.075	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.4205	0.047	2	111.4205	0.002	2	111.0663	0.377	3	109.7848	7.075	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,1|S<4>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	110.3580	0.000	1	110.3580	0.000	1	111.0663	0.377	3	109.7848	7.075	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:C[6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO){2|O<2>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	114.0510	0.000	1	114.0510	0.000	1	114.0510	0.000	1	114.4090	0.256	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|O<1>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7670	0.000	1	114.7670	0.000	1	114.7670	0.000	1	114.4090	0.256	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3)	H(C[5,5,6]C[3,5,6]C[5,5,6]2)	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]2)	110.6380	0.000	1	110.6380	0.000	1	110.6380	0.000	1	111.8367	3.090	8	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.7180	0.373	2	110.7313	0.162	4	110.7313	0.162	4	111.8367	3.090	8	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.7445	0.589	2	110.7313	0.162	4	110.7313	0.162	4	111.8367	3.090	8	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:P[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]P[5,5]H)(P[5]C[6a]C[5]Pt)(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3)	H(C[5,5,6]C[5,5,6]2P[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]P[5,5]H)(P[5]C[6a]C[5]Pt)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2P[5])	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	111.8367	3.090	8	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.5535	0.135	2	114.5535	0.018	2	114.5535	0.018	2	111.8367	3.090	8	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<2>,1|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	104.7000	0.000	1	104.7000	0.000	1	104.7000	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.1890	0.085	2	111.1890	0.007	2	111.1890	0.007	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.1045	0.333	2	111.1045	0.111	2	111.1045	0.111	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5,5,6]-4:C[6]-4:H-1:	C[4,5,5]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,5,6]C[4,5,5]C[5,5,6]C[6])	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6]C[4,5,5]C[5,5,6]C[6])	110.4090	0.376	2	110.4090	0.142	2	110.4090	0.142	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<7>,3|C<4>,3|H<1>,3|N<3>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H){4|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.9860	0.000	1	115.7795	0.085	2	115.7795	0.085	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|H<1>,3|N<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H){4|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.5730	0.000	1	115.7795	0.085	2	115.7795	0.085	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	113.6573	0.285	8	113.6573	0.081	8	113.6573	0.081	8	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,2|C<2>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:P[6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]P[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H){4|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]P[6])	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.2740	0.058	2	111.2740	0.003	2	111.2740	0.003	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:B[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2B[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H){1|N<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2B[5,5])	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:B[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:P[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H)	H(C[5,5,6]C[5,5,6]2B[5])	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2B[5])	105.7320	0.000	1	105.7320	0.000	1	105.7320	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:B[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2B[5])	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2B[5])	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H){2|Br<1>,1|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.7785	0.515	2	110.7785	0.266	2	110.5908	0.149	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.6970	0.404	2	110.6970	0.164	2	110.5908	0.149	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5,6]3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]3)	110.2970	0.221	2	110.2970	0.049	2	110.5908	0.149	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	108.4060	0.000	1	108.4060	0.000	1	111.3170	16.948	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.2280	0.000	1	114.2280	0.000	1	111.3170	16.948	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	108.3800	0.000	1	108.3800	0.000	1	112.3697	11.940	3	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){5|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4110	0.000	1	114.4110	0.000	1	112.3697	11.940	3	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.3180	0.000	1	114.3180	0.000	1	112.3697	11.940	3	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.5210	0.082	2	114.5210	0.007	2	114.5210	0.007	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H){1|C<2>,1|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6])	112.3315	0.088	4	112.3315	0.008	4	111.9400	0.373	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.1420	0.000	1	111.1570	0.000	2	111.9400	0.373	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.1720	0.000	1	111.1570	0.000	2	111.9400	0.373	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H){3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H){4|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<7>,3|C<4>,3|H<1>,3|N<3>}	H(C[5,5,6]C[5,5,6]2C[5])	107.3620	0.000	1	107.5450	0.067	2	107.5450	0.067	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H){4|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|H<1>,3|N<3>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	107.7280	0.000	1	107.5450	0.067	2	107.5450	0.067	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.5420	0.424	8	111.5420	0.180	8	111.5420	0.180	8	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H){2|Br<1>,1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br){1|Br<1>,1|O<1>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.8630	0.000	2	108.8630	0.000	2	108.8630	0.000	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4670	0.000	1	109.4670	0.000	1	108.4000	0.855	3	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	107.8980	0.000	1	107.8980	0.000	1	108.4000	0.855	3	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	107.8350	0.000	1	107.8350	0.000	1	108.4000	0.855	3	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H){3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.9230	0.000	2	108.9230	0.000	2	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|Pd<5>,1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H){1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.7280	0.263	3	109.7280	0.069	3	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H){1|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|Pd<5>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9367	0.145	3	111.9367	0.021	3	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1180	0.000	1	110.1180	0.000	1	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.1450	0.000	1	109.1450	0.000	1	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1105	0.006	2	110.1105	0.000	2	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.1520	0.195	2	109.1520	0.038	2	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4410	0.000	1	112.4410	0.000	1	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H){3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3520	0.000	1	111.3520	0.000	1	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.5400	0.000	2	109.5400	0.000	2	110.1945	1.397	18	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1230	0.000	1	110.1230	0.000	1	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7220	0.000	1	110.7220	0.000	1	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<2>,1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.1800	0.000	1	109.1800	0.000	1	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|Pd<5>,1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.7433	0.255	3	109.7433	0.065	3	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H){1|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8597	0.183	3	111.8597	0.034	3	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6020	0.000	1	110.6020	0.000	1	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1410	0.016	2	110.1410	0.000	2	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0765	0.049	2	110.0765	0.002	2	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|N<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9270	0.000	1	111.9270	0.000	1	110.5199	0.861	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:P[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:B[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H)	H(C[5,5,6]C[5,5,6]2P[5])	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2P[5])	104.7420	0.000	1	104.7420	0.000	1	104.7420	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:P[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2P[5])	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2P[5])	104.8240	0.000	1	104.8240	0.000	1	104.8240	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5,6]2Si[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2Si[5])	109.3555	0.105	2	109.3555	0.011	2	109.3555	0.011	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	H(C[5,5,6]C[5,5,6]2Si[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2Si[5])	109.3235	0.091	2	109.3235	0.008	2	109.3235	0.008	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,1|N<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<2>,1|N<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:B[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H){1|N<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:B[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|P<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H){1|C<2>,1|C<4>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7760	0.378	2	114.7760	0.143	2	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<2>,1|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7540	0.000	1	114.7540	0.000	1	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4560	0.000	1	114.4560	0.000	1	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5200	0.000	1	114.5200	0.000	1	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6650	0.000	1	114.6650	0.000	1	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.9775	0.032	2	113.9775	0.001	2	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|N<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7400	0.000	1	114.7400	0.000	1	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|Pd<5>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5153	0.165	3	114.5153	0.027	3	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]PdH)(H){1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7610	0.270	3	114.7610	0.073	3	114.5647	0.095	15	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:P[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5,6]C[5,5]C[5,6]H)(P[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,6])	114.5060	0.000	1	114.5060	0.000	1	114.5060	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	109.3690	0.033	2	109.3690	0.001	2	109.4360	0.038	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|O<2>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	109.4695	0.242	4	109.4695	0.059	4	109.4360	0.038	6	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,2|C<2>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:P[6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[6]C[6,6a]C[6a]W)(C[5,5,6]C[5,6]2H)(H){4|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H){1|N<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H){1|N<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.8060	0.035	2	113.8060	0.001	2	113.8060	0.001	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	112.1495	0.047	2	112.1495	0.002	2	112.1495	0.002	2	111.3332	5.910	138	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:O[6]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,5|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	112.1034	2.337	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.5187	0.915	4	111.5187	0.838	4	111.5187	0.838	4	112.1034	2.337	5	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	114.2965	0.326	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.8930	0.000	1	113.8930	0.000	1	113.8930	0.000	1	114.2965	0.326	2	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(C[5]O[5]HH)(CH3)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(C[5]O[5]HH)(CH3){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	106.6415	0.309	2	106.6415	0.095	2	106.6415	0.095	2	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.5405	0.445	2	111.5405	0.198	2	111.3563	0.108	6	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.2643	0.284	4	111.2643	0.081	4	111.3563	0.108	6	111.3526	5.342	15	112.5343	4.834	2158	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:3:4:1:	4:3:3:1:	4:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.7230	0.000	1	112.0047	0.175	3	112.0047	0.175	3	112.0047	0.175	3	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:3:4:1:	4:3:3:1:	4:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){2|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	H(C[5,5,6]C[5,5]N[5,6]2)	112.1455	0.480	2	112.0047	0.175	3	112.0047	0.175	3	112.0047	0.175	3	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{4|C<3>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	116.9442	0.102	4	116.9442	0.010	4	117.0085	0.016	10	117.1630	0.277	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{2|C<3>,2|N<2>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	117.0513	0.127	6	117.0513	0.016	6	117.0085	0.016	10	117.1630	0.277	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H)	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H){1|H<1>,6|C<3>}	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{1|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	117.1630	0.277	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.9805	0.047	2	116.9805	0.002	2	116.9805	0.002	2	116.8607	0.281	13	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	117.4855	0.425	2	116.9064	0.362	8	116.9464	0.331	9	116.8607	0.281	13	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.7133	0.540	6	116.9064	0.362	8	116.9464	0.331	9	116.8607	0.281	13	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<4>,2|N<2>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	117.2670	0.000	1	117.2670	0.000	1	116.9464	0.331	9	116.8607	0.281	13	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:1:1:	4:	Ga[5,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2	H(C[5,5,6]Ga[5,6]C[5,5]C[5,6])	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	H(C[5,5,6]Ga[5,6]C[5,5]C[5,6])	116.3550	0.342	2	116.3550	0.117	2	116.3550	0.117	2	116.8607	0.281	13	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	116.7130	0.000	1	117.1890	0.453	2	117.2502	0.156	4	117.2502	0.156	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	117.6650	0.000	1	117.1890	0.453	2	117.2502	0.156	4	117.2502	0.156	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	117.3300	0.000	1	117.3115	0.001	2	117.2502	0.156	4	117.2502	0.156	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	117.2930	0.000	1	117.3115	0.001	2	117.2502	0.156	4	117.2502	0.156	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:3:1:	4:4:3:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5a]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	117.0515	0.090	2	117.0515	0.008	2	117.0515	0.008	2	117.0515	0.008	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,1|C<3>,1|P<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1480	0.000	1	116.2320	0.014	2	116.0282	0.115	4	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,1|C<3>,1|P<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3160	0.000	1	116.2320	0.014	2	116.0282	0.115	4	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,3|H<1>,3|N<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.5380	0.000	1	115.8245	0.164	2	116.0282	0.115	4	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,3|H<1>,3|N<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1110	0.000	1	115.8245	0.164	2	116.0282	0.115	4	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a,6]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,5a,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5a,6]C[5,5,6]C[5,5])	116.1370	0.112	2	116.1370	0.012	2	116.1370	0.012	2	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<2>,1|C<3>,1|P<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.9115	0.013	2	115.9115	0.000	2	115.7105	0.055	4	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.5570	0.000	1	115.5570	0.000	1	115.7105	0.055	4	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.4620	0.000	1	115.4620	0.000	1	115.7105	0.055	4	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.0960	0.000	1	116.1345	0.003	2	116.1345	0.003	2	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.1730	0.000	1	116.1345	0.003	2	116.1345	0.003	2	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.3950	0.000	1	116.3950	0.000	1	116.0357	0.041	9	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.3210	0.000	1	115.9969	0.031	7	116.0357	0.041	9	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	115.8988	0.111	4	115.9969	0.031	7	116.0357	0.041	9	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.0310	0.008	2	115.9969	0.031	7	116.0357	0.041	9	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	115.9480	0.000	1	115.9480	0.000	1	116.0357	0.041	9	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H){2|Br<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{3|Br<1>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	117.9350	0.000	1	117.9350	0.000	1	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{3|Br<1>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9190	0.000	1	115.9190	0.000	1	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8773	0.043	3	116.0299	0.923	77	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9967	1.001	4	116.0299	0.923	77	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8095	0.405	2	116.0299	0.923	77	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9010	0.000	1	116.0299	0.923	77	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.1524	0.421	17	116.0299	0.923	77	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0496	1.321	34	116.0299	0.923	77	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9304	0.631	16	116.0299	0.923	77	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.2610	0.262	2	115.5497	0.284	3	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.1270	0.000	1	115.5497	0.284	3	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H){1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|Pt<7>,1|O<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.3680	0.000	1	116.3680	0.000	1	116.0382	0.917	83	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3570	0.000	1	115.3570	0.000	1	115.6058	0.030	5	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6680	0.117	4	115.6680	0.014	4	115.6058	0.030	5	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|C<4>,4|H<1>}	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2{2|C<4>,5|H<1>}	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	115.0800	0.000	1	115.0800	0.000	1	115.0800	0.000	1	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.3710	0.000	1	114.3710	0.000	1	114.3710	0.000	1	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:1:1:	4:	P[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	115.9739	0.744	114	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	117.1410	0.000	1	117.4630	0.207	2	117.4630	0.207	2	117.4630	0.207	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<2>}	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|H<1>,1|N<3>,2|N<2>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	117.7850	0.000	1	117.4630	0.207	2	117.4630	0.207	2	117.4630	0.207	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(CC[6a]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(CC[6a]O)(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.2025	0.211	2	116.2025	0.045	2	116.2025	0.045	2	116.2400	0.108	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H){1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2775	0.523	2	116.2775	0.273	2	116.2775	0.273	2	116.2400	0.108	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	114.8680	0.000	1	114.8680	0.000	1	114.8575	0.000	2	113.5124	4.651	5	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	114.8470	0.000	1	114.8470	0.000	1	114.8575	0.000	2	113.5124	4.651	5	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	113.5124	4.651	5	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	111.1680	0.000	2	111.1680	0.000	2	111.1680	0.000	2	113.5124	4.651	5	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9220	0.097	4	115.9220	0.009	4	115.9220	0.009	4	115.6924	0.301	42	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	115.8590	0.292	4	115.9322	0.385	12	115.9322	0.385	12	115.6924	0.301	42	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	115.9688	0.751	8	115.9322	0.385	12	115.9322	0.385	12	115.6924	0.301	42	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|N<2>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.3101	0.242	19	115.3101	0.059	19	115.3101	0.059	19	115.6924	0.301	42	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8600	0.000	1	115.8600	0.000	1	115.9993	0.027	6	115.6924	0.301	42	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0272	0.166	5	116.0272	0.027	5	115.9993	0.027	6	115.6924	0.301	42	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<1>,1|O<2>,1|S<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	115.6924	0.301	42	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	3:5:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6]-5:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|Pt<7>,1|O<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.4120	0.000	1	116.4120	0.000	1	116.4120	0.000	1	116.4120	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:2:3:1:	4:4:1:1:	4:	C[5,5]-4:S[5,6]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:2:4:1:	4:2:2:4:	4:	C[5,6]-4:O[5,6]-2:C[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.7355	0.080	2	112.7355	0.006	2	112.7355	0.006	2	112.7355	0.006	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H){1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.9180	0.000	1	115.0345	0.027	2	115.0345	0.027	2	115.0345	0.027	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.1510	0.000	1	115.0345	0.027	2	115.0345	0.027	2	115.0345	0.027	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH)	H(C[5,5,6]C[5,5]N[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5,6]C[5,5]N[5,6]2)	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|B<6>,2|H<1>}	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<6>,3|B<6>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.4960	0.000	1	117.4960	0.000	1	117.5774	1.567	9	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.9195	0.808	2	117.7747	1.994	4	117.5774	1.567	9	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.6300	0.294	2	117.7747	1.994	4	117.5774	1.567	9	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.6780	0.021	3	116.6780	0.000	3	117.5774	1.567	9	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	119.5680	0.000	1	119.5680	0.000	1	117.5774	1.567	9	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.0845	0.261	2	115.0845	0.068	2	115.8740	1.153	10	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	117.7050	0.000	1	117.7050	0.000	1	115.8740	1.153	10	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.5290	0.000	1	115.5290	0.000	1	115.8740	1.153	10	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H){2|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	116.2460	0.000	1	116.2460	0.000	1	115.8740	1.153	10	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	116.6673	0.122	3	116.6673	0.015	3	115.8740	1.153	10	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.5445	0.025	2	114.5445	0.001	2	115.8740	1.153	10	116.6758	1.930	20	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|S<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.5020	0.000	1	117.5020	0.000	1	117.4245	0.012	2	117.4245	0.012	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H){1|S<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|S<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.3470	0.000	1	117.3470	0.000	1	117.4245	0.012	2	117.4245	0.012	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H){2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.3780	2.604	4	118.3780	6.783	4	118.3780	6.783	4	118.3780	6.783	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H){1|N<2>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:3:2:2:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH){2|N<3>,6|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2{6|C<3>}	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])	115.6090	0.082	2	115.6090	0.007	2	115.6090	0.007	2	117.2385	5.908	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){2|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	119.7000	1.604	2	119.7000	2.572	2	119.7000	2.572	2	117.2385	5.908	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.7830	1.659	2	116.7830	2.752	2	116.7830	2.752	2	117.2385	5.908	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7300	0.000	1	115.7300	0.000	1	117.0503	9.952	4	117.2385	5.908	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	121.6770	0.000	1	121.6770	0.000	1	117.0503	9.952	4	117.2385	5.908	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H){1|Ga<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1840	0.000	1	116.1840	0.000	1	117.0503	9.952	4	117.2385	5.908	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H){1|Rh<6>,3|H<1>,3|N<3>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6100	0.000	1	114.6100	0.000	1	117.0503	9.952	4	117.2385	5.908	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2330	0.000	1	116.2330	0.000	1	116.2330	0.000	1	112.4270	6.802	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6,6]C[5,5]N[5,6])	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]N[5,6])	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	112.4270	6.802	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){2|C<4>,2|O<1>,7|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	111.5850	0.000	2	111.5850	0.000	2	111.5850	0.000	2	112.4270	6.802	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<1>,1|O<2>,1|S<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:2:3:4:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5]-2:N[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H){1|H<1>,2|C<4>,2|O<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.8230	0.013	2	111.8230	0.000	2	111.8230	0.000	2	111.8230	0.000	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,5,6]-3:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H){2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H){2|C<3>,2|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|Cr<9>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	121.2360	0.000	1	121.2360	0.000	1	121.2360	0.000	1	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	114.3650	0.000	1	114.3650	0.000	1	114.3435	0.001	2	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|N<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	114.3220	0.000	1	114.3220	0.000	1	114.3435	0.001	2	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H)	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H){1|N<2>,2|C<4>}	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.1560	0.000	1	115.1560	0.000	1	115.1560	0.000	1	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	118.0690	0.000	1	114.5038	4.019	5	114.5038	4.019	5	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	113.6125	0.250	4	114.5038	4.019	5	114.5038	4.019	5	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2{1|I<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.0440	0.023	2	115.0440	0.001	2	114.7375	0.092	6	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.7033	0.051	3	114.5842	0.058	4	114.7375	0.092	6	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.2270	0.000	1	114.5842	0.058	4	114.7375	0.092	6	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	114.0895	0.125	2	114.0895	0.016	2	114.0895	0.016	2	114.9118	3.327	19	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H){2|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]O[5,6])	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]O[5,6])	113.7090	0.158	2	113.7090	0.025	2	113.7090	0.025	2	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[3x5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.7535	0.541	2	114.7535	0.293	2	114.7535	0.293	2	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H){1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	116.8570	0.000	1	116.8570	0.000	1	116.8570	0.000	1	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H){1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.6590	0.000	1	115.6590	0.000	1	115.6590	0.000	1	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	119.0800	0.000	1	119.0800	0.000	1	115.9250	3.139	5	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.0920	0.074	2	115.0920	0.005	2	115.9250	3.139	5	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.9550	0.000	1	114.9550	0.000	1	115.9250	3.139	5	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H){1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.4060	0.000	1	115.4060	0.000	1	115.9250	3.139	5	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|N<3>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	115.1063	2.676	15	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	113.1690	3.006	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	113.1690	3.006	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H){1|C<2>,1|N<2>,2|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	113.6450	0.000	1	113.6450	0.000	1	113.6450	0.000	1	112.2280	0.261	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.9930	0.000	1	111.9930	0.000	1	112.0679	0.017	8	112.2280	0.261	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.8320	0.000	1	111.8320	0.000	1	112.0679	0.017	8	112.2280	0.261	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.1505	0.047	2	112.1197	0.008	6	112.0679	0.017	8	112.2280	0.261	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.1043	0.109	4	112.1197	0.008	6	112.0679	0.017	8	112.2280	0.261	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	112.2280	0.261	10	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.8120	0.000	1	117.8120	0.000	1	117.8120	0.000	1	117.8120	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{2|H<1>,3|C<4>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.3560	0.185	2	115.3560	0.034	2	116.5367	5.063	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.6480	0.011	2	115.6480	0.000	2	116.5367	5.063	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	121.0910	0.000	1	121.0910	0.000	1	116.5367	5.063	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	116.1210	0.000	1	116.1210	0.000	1	116.5367	5.063	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]N[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]N[5,6])	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.8495	0.240	2	115.8495	0.057	2	115.8495	0.057	2	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|O<2>,6|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	116.1650	0.000	1	117.3313	4.617	3	117.3313	4.617	3	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	116.0180	0.000	1	117.3313	4.617	3	117.3313	4.617	3	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5]C[5,6])	119.8110	0.000	1	117.3313	4.617	3	117.3313	4.617	3	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	116.2722	0.174	4	116.2722	0.030	4	116.2815	0.025	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	116.1670	0.000	1	116.1670	0.000	1	116.2815	0.025	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	116.4330	0.000	1	116.4330	0.000	1	116.2815	0.025	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	115.6862	0.146	6	115.6862	0.021	6	115.6862	0.021	6	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	116.6575	0.073	2	116.6575	0.005	2	116.8592	1.554	5	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	115.9915	0.221	2	115.9915	0.049	2	116.8592	1.554	5	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	118.9980	0.000	1	118.9980	0.000	1	116.8592	1.554	5	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0190	0.185	4	116.0190	0.034	4	116.0190	0.034	4	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0060	0.000	1	116.0060	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4410	0.000	1	114.4410	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6650	0.000	1	115.6650	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3110	0.000	1	116.3110	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9615	0.019	2	115.7832	0.023	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6940	0.075	4	115.7832	0.023	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9020	0.000	1	115.8820	0.001	2	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8620	0.000	1	115.8820	0.001	2	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7915	0.166	2	116.3170	0.953	5	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0420	0.000	1	116.3170	0.953	5	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	118.0470	0.000	1	116.3170	0.953	5	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9130	0.000	1	116.3170	0.953	5	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9550	0.100	2	115.9098	0.004	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9055	0.059	2	115.9098	0.004	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8570	0.000	1	115.9098	0.004	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8810	0.000	1	115.9098	0.004	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8320	0.000	1	115.9302	0.021	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9498	0.151	5	115.9302	0.021	6	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.2200	0.000	1	114.2200	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|B<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0985	0.080	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0355	0.172	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8180	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1690	0.335	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3253	0.708	71	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0958	0.277	5	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	117.4500	1.555	4	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8150	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0931	0.095	7	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7910	0.173	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2285	0.028	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9550	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7460	0.386	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8810	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2390	0.121	4	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.4600	0.483	5	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7700	0.149	3	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9020	0.175	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1130	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0290	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.7895	0.115	2	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9300	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2860	0.000	1	116.2759	0.443	123	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1755	0.204	2	116.1755	0.042	2	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	120.7810	0.085	2	119.2093	7.414	3	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0660	0.000	1	119.2093	7.414	3	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7110	0.000	1	115.7110	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6720	0.000	1	115.6720	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9390	0.000	1	116.0037	0.016	3	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1490	0.000	1	116.0037	0.016	3	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9230	0.000	1	116.0037	0.016	3	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.7490	0.000	1	115.7490	0.000	1	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.4433	0.312	3	116.4433	0.097	3	116.2403	0.671	167	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H)	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.9270	0.139	4	115.9270	0.019	4	115.9270	0.019	4	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.4830	0.000	1	115.4830	0.000	1	115.3857	0.037	3	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.1650	0.000	1	115.1650	0.000	1	115.3857	0.037	3	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,2|H<1>,2|N<2>}	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]N[5,6])	115.5090	0.000	1	115.5090	0.000	1	115.3857	0.037	3	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<5>,3|B<6>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5870	0.568	3	115.6724	0.197	5	115.6319	0.126	11	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<5>,3|B<6>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8005	0.292	2	115.6724	0.197	5	115.6319	0.126	11	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<6>,3|B<6>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3590	0.519	2	115.5982	0.091	6	115.6319	0.126	11	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<6>,3|B<6>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7177	0.070	4	115.5982	0.091	6	115.6319	0.126	11	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H)	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6940	0.083	2	115.6940	0.007	2	115.6940	0.007	2	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(Br)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(Br)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1270	0.000	1	116.1270	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8410	0.000	1	115.8410	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5308	0.255	6	115.5308	0.065	6	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9235	0.032	2	115.9235	0.001	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8225	0.080	2	115.8225	0.006	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AuH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AuH)(C[5,6]C[5,6]H)(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Au<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.3130	0.040	2	117.3130	0.002	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H){2|Br<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|Br<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5140	0.000	1	115.5140	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<2>,1|S<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|S<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4160	0.000	1	116.2510	1.099	9	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6832	0.096	5	116.2510	1.099	9	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.4757	0.986	3	116.2510	1.099	9	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.8900	1.236	4	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5122	0.642	9	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8390	0.020	2	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2870	0.977	4	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0908	0.865	17	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.9955	1.857	4	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5860	0.149	6	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9765	0.022	2	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.0617	2.244	9	116.2903	1.799	57	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){1|S<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9260	0.000	1	116.0587	0.038	3	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1250	0.221	2	116.0587	0.038	3	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3260	0.000	1	115.3260	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|C<3>,1|S<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3330	0.000	1	115.9565	0.284	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|S<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5800	0.000	1	115.9565	0.284	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<2>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1250	0.000	1	116.1250	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|C<3>,1|S<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|C<3>,1|S<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5980	0.000	1	117.3280	1.066	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.0580	0.000	1	117.3280	1.066	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2484	0.143	8	115.3853	0.116	13	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2743	0.035	3	115.3853	0.116	13	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0995	0.204	2	115.3853	0.116	13	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8910	0.000	1	115.8910	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<2>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.4980	0.000	1	116.2501	0.361	26	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2373	0.772	3	116.2501	0.361	26	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1903	0.612	15	116.2501	0.361	26	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|P<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1090	0.000	1	116.2501	0.361	26	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|Rh<5>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0145	0.046	2	116.2501	0.361	26	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|S<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1040	0.000	1	116.2501	0.361	26	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3987	0.618	3	116.2501	0.361	26	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7090	0.000	1	115.7722	0.114	4	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5565	0.008	2	115.7722	0.114	4	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2670	0.000	1	115.7722	0.114	4	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.4100	0.000	1	118.4100	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5010	0.000	1	115.5080	0.087	3	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2170	0.000	1	115.5080	0.087	3	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|P<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8060	0.000	1	115.5080	0.087	3	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|S<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0480	0.000	1	116.0480	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.6190	0.000	1	116.6190	0.000	1	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2915	0.084	2	116.2915	0.007	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4700	0.242	2	116.4700	0.058	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6450	0.000	1	117.7372	4.881	5	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.2602	2.164	4	117.7372	4.881	5	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9460	0.069	2	115.9460	0.005	2	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4995	0.053	2	116.5180	0.002	3	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5550	0.000	1	116.5180	0.002	3	116.1983	1.179	154	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H)	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H){1|N<2>,2|C<4>}	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.1580	0.000	1	115.1580	0.000	1	115.1580	0.000	1	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.9000	0.025	2	114.9000	0.001	2	114.3290	0.939	8	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.3560	0.000	1	115.3560	0.000	1	114.3290	0.939	8	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.6430	0.000	1	115.6430	0.000	1	114.3290	0.939	8	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	113.4390	0.225	3	113.4582	0.035	4	114.3290	0.939	8	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	113.5160	0.000	1	113.4582	0.035	4	114.3290	0.939	8	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:S[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.9030	0.000	1	114.9030	0.000	1	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.4425	0.062	2	115.4425	0.004	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.6710	0.000	1	115.6710	0.000	1	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.7200	0.000	1	116.2481	0.391	7	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.3362	0.636	6	116.2481	0.391	7	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0880	0.000	1	115.9660	0.030	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8440	0.000	1	115.9660	0.030	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.2960	0.000	1	116.2960	0.000	1	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.4480	0.000	1	115.4480	0.000	1	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Cr<9>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	120.4390	12.777	2	120.4390	163.262	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.1100	0.065	2	116.1100	0.004	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	118.2177	0.603	4	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.6920	0.086	2	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.6765	0.070	4	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.9460	0.008	2	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0590	0.024	2	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.1305	0.081	2	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.8543	1.225	4	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.1010	0.000	1	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.6843	1.298	16	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.9093	0.214	4	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0620	0.000	1	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	118.1582	2.187	6	116.7155	1.896	48	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.3590	0.000	1	116.3980	0.003	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.4370	0.000	1	116.3980	0.003	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.6795	0.896	4	116.5089	0.451	7	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.2813	0.112	3	116.5089	0.451	7	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.1190	0.000	1	115.9985	0.029	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8780	0.000	1	115.9985	0.029	2	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0190	0.000	1	115.8293	0.036	3	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.7345	0.135	2	115.8293	0.036	3	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2420	0.000	1	114.2420	0.000	1	116.5415	3.773	82	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3390	0.000	1	115.3390	0.000	1	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7060	0.000	1	116.1605	0.585	4	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3120	0.861	3	116.1605	0.585	4	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4450	0.000	1	115.4450	0.000	1	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9345	0.702	4	115.9345	0.493	4	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5570	0.000	1	116.5570	0.000	1	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.6037	0.861	3	116.6130	1.447	9	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.6177	1.420	6	116.6130	1.447	9	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2180	0.000	1	116.2180	0.000	1	116.2598	0.900	21	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	116.2367	1.524	489	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	116.7635	0.473	2	115.7338	1.577	4	115.7338	1.577	4	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.7040	0.516	2	115.7338	1.577	4	115.7338	1.577	4	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8630	0.274	2	115.8630	0.075	2	115.7750	0.031	7	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.6670	0.000	1	115.6670	0.000	1	115.7750	0.031	7	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.5300	0.000	1	115.5300	0.000	1	115.7750	0.031	7	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.8340	0.086	3	115.8340	0.007	3	115.7750	0.031	7	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5240	0.000	1	115.5240	0.000	1	115.9803	0.261	6	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2900	0.000	1	115.2900	0.000	1	115.9803	0.261	6	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1490	0.000	1	116.3593	0.094	3	115.9803	0.261	6	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4645	0.350	2	116.3593	0.094	3	115.9803	0.261	6	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9900	0.000	1	115.9900	0.000	1	115.9803	0.261	6	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	116.7550	0.000	1	116.7550	0.000	1	116.7550	0.000	1	115.8887	0.424	18	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(H){6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.5710	4.781	2	117.5710	22.862	2	117.5710	22.862	2	116.9543	8.134	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H){1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3375	0.131	2	116.3375	0.017	2	116.3375	0.017	2	116.9543	8.134	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.2665	0.170	2	115.2665	0.029	2	115.3603	0.041	3	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.5480	0.000	1	115.5480	0.000	1	115.3603	0.041	3	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1315	0.033	2	116.1315	0.001	2	116.1315	0.001	2	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H){1|Si<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.8630	0.000	1	117.8630	0.000	1	118.2000	0.227	2	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H){1|Si<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.5370	0.000	1	118.5370	0.000	1	118.2000	0.227	2	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){1|H<1>,1|O<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.9990	0.000	1	115.7960	0.082	2	115.7960	0.082	2	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.5930	0.000	1	115.7960	0.082	2	115.7960	0.082	2	116.2039	1.121	11	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8260	0.000	1	115.8260	0.000	1	115.9290	0.021	2	115.9290	0.021	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0320	0.000	1	116.0320	0.000	1	115.9290	0.021	2	115.9290	0.021	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2197	0.239	3	115.1957	0.055	13	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1885	0.244	10	115.1957	0.055	13	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|P<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|P<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1570	0.000	1	116.1570	0.000	1	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{2|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2570	0.000	1	116.3229	1.155	8	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5503	0.060	3	116.3229	1.155	8	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.9188	1.274	4	116.3229	1.155	8	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6400	0.000	1	115.3600	0.213	3	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2200	0.556	2	115.3600	0.213	3	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){1|C<4>,1|S<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{2|S<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4490	1.237	2	116.4490	1.531	2	115.6764	0.722	27	115.6764	0.722	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	3:3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5])	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H){1|C<2>,1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5]){1|C<2>,3|C<4>,4|H<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,5])	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H)	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H){2|H<1>,2|O<1>}	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2{2|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,5])	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	108.8630	0.005	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5])	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	108.8630	0.005	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H){5|H<1>,6|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.0700	0.000	1	110.0700	0.000	1	110.9170	1.179	6	110.9170	1.179	6	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.7820	0.000	1	110.7820	0.000	1	110.9170	1.179	6	110.9170	1.179	6	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.2705	0.084	2	112.2705	0.007	2	110.9170	1.179	6	110.9170	1.179	6	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)2(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)2(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.0545	0.009	2	110.0545	0.000	2	110.9170	1.179	6	110.9170	1.179	6	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.2420	0.000	1	111.2420	0.000	1	113.0460	6.509	2	113.0460	6.509	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,2|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8500	0.000	1	114.8500	0.000	1	113.0460	6.509	2	113.0460	6.509	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5])	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.3400	0.000	1	112.3400	0.000	1	112.3400	0.000	1	111.5100	1.378	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	111.5100	1.378	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	115.3985	0.074	2	115.3985	0.006	2	115.0973	0.124	4	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,3|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	114.7960	0.058	2	114.7960	0.003	2	115.0973	0.124	4	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,6|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.5930	0.040	3	115.5930	0.002	3	115.4278	0.107	16	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,6|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.3560	0.065	2	115.3560	0.004	2	115.4278	0.107	16	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,4|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|N<3>,6|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	116.0325	0.162	2	116.0325	0.026	2	115.4278	0.107	16	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.4332	0.060	5	115.4332	0.004	5	115.4278	0.107	16	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|W<6>,4|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|P<4>,6|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.1800	0.059	2	115.1800	0.004	2	115.4278	0.107	16	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.9570	0.000	1	114.8815	0.011	2	115.4278	0.107	16	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,8|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.8060	0.000	1	114.8815	0.011	2	115.4278	0.107	16	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<5>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.2165	0.172	2	115.2165	0.030	2	115.3282	0.020	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.2240	0.034	2	115.3655	0.016	6	115.3282	0.020	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.3990	0.103	2	115.3655	0.016	6	115.3282	0.020	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.4735	0.042	2	115.3655	0.016	6	115.3282	0.020	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.1480	0.182	2	115.1480	0.033	2	115.1480	0.033	2	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]2H)2(H)2	H(C[5,5,6]C[4,5,6]2C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[4,5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]2C[5,5])	115.0675	0.016	2	115.0675	0.000	2	115.0675	0.000	2	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<7>,3|C<4>,3|H<1>,3|N<3>}	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	116.1590	0.000	1	115.3947	0.187	6	115.3947	0.187	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.0090	0.201	2	115.3947	0.187	6	115.3947	0.187	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.3505	0.015	2	115.3947	0.187	6	115.3947	0.187	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|H<1>,3|N<3>,4|C<4>}	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.4900	0.000	1	115.3947	0.187	6	115.3947	0.187	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	122.0595	0.320	2	122.0595	0.103	2	116.0337	6.061	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.1290	0.000	1	115.0677	0.012	11	116.0337	6.061	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.0060	0.000	1	115.0677	0.012	11	116.0337	6.061	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.0678	0.119	9	115.0677	0.012	11	116.0337	6.061	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	114.7190	0.000	1	114.7190	0.000	1	116.0337	6.061	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.9220	0.000	1	115.9220	0.000	1	116.0337	6.061	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|B<4>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.6370	0.000	1	114.6730	0.003	2	114.7765	0.027	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|B<4>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.7090	0.000	1	114.6730	0.003	2	114.7765	0.027	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.7290	0.000	1	114.8282	0.034	4	114.7765	0.027	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.6260	0.000	1	114.8282	0.034	4	114.7765	0.027	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	115.0260	0.000	1	114.8282	0.034	4	114.7765	0.027	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.9320	0.000	1	114.8282	0.034	4	114.7765	0.027	6	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	113.9574	0.306	9	113.9574	0.093	9	114.1859	0.324	27	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	114.8174	0.207	10	114.3001	0.411	18	114.1859	0.324	27	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,5])	113.6534	0.287	8	114.3001	0.411	18	114.1859	0.324	27	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.8345	0.880	2	114.9245	0.179	15	114.9245	0.179	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.9384	0.378	13	114.9245	0.179	15	114.9245	0.179	15	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.4300	0.310	2	115.4300	0.096	2	115.4300	0.096	2	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.2270	0.000	1	114.2270	0.000	1	114.3866	0.016	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4440	0.000	1	114.4110	0.002	2	114.3866	0.016	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){5|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.3780	0.000	1	114.4110	0.002	2	114.3866	0.016	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.2900	0.000	1	114.2900	0.000	1	114.3866	0.016	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.4400	0.000	1	114.3360	0.022	2	114.3866	0.016	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.2320	0.000	1	114.3360	0.022	2	114.3866	0.016	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{2|Si<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,5])	114.5410	0.030	2	114.5410	0.001	2	114.3866	0.016	8	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|N<2>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|N<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4320	0.000	1	114.4320	0.000	1	114.4915	0.007	2	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){3|H<1>,4|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5510	0.000	1	114.5510	0.000	1	114.4915	0.007	2	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3050	0.000	1	114.3050	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|P<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1920	0.000	1	115.1920	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0550	0.000	1	115.0550	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8760	0.000	1	114.8760	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3950	0.000	1	114.7502	0.026	11	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6885	0.149	2	114.7502	0.026	11	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7550	0.000	1	114.7502	0.026	11	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8179	0.109	7	114.7502	0.026	11	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.8350	0.000	1	116.8350	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3000	0.000	1	114.3000	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Cr<10>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3695	0.129	2	116.3695	0.017	2	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Fe<10>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.6020	0.061	2	116.6020	0.004	2	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9940	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4420	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3460	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7065	0.019	2	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|N<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7360	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6472	0.243	4	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0030	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8900	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4510	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7260	0.000	2	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6980	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.5442	1.157	11	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7655	0.217	2	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9330	0.130	2	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3930	0.000	1	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0700	0.096	2	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Si<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.3545	0.549	2	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.9920	1.723	2	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.3069	1.200	13	115.1297	1.005	51	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2005	2.316	2	115.2004	2.201	5	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5337	0.230	3	115.2004	2.201	5	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6337	0.460	3	114.6337	0.211	3	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Si<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9275	0.120	2	114.9275	0.014	2	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Ti<8>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9992	0.454	9	115.9992	0.206	9	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<2>,1|S<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|S<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	117.9110	0.000	1	117.9110	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8830	0.185	2	114.8830	0.034	2	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<4>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0040	0.000	1	115.0040	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8250	0.000	1	115.0036	0.083	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1822	0.214	4	115.0036	0.083	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5770	0.000	1	115.0036	0.083	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1660	0.000	1	115.0036	0.083	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7320	0.000	1	115.0036	0.083	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8310	0.103	2	115.5533	1.571	3	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.9980	0.000	1	115.5533	1.571	3	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7080	0.035	2	115.1334	0.231	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1355	0.016	2	115.1334	0.231	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2410	0.000	1	115.1334	0.231	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0463	0.045	3	115.1334	0.231	8	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8840	0.000	1	114.8840	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|S<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.3000	0.000	1	115.3000	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|O<1>,2|O<2>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7800	0.000	1	114.7800	0.000	1	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0430	0.000	1	114.3295	0.164	2	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6160	0.000	1	114.3295	0.164	2	115.1948	0.826	119	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.8850	0.000	1	116.8850	0.000	1	115.1919	1.981	7	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|I<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1010	0.000	1	115.1010	0.000	1	115.1919	1.981	7	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.4050	0.000	1	116.0740	3.543	2	115.1919	1.981	7	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7430	0.000	1	116.0740	3.543	2	115.1919	1.981	7	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9200	0.024	2	113.9200	0.001	2	115.1919	1.981	7	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3690	0.000	1	114.3690	0.000	1	115.1919	1.981	7	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.3960	0.000	1	113.6443	0.047	3	113.6443	0.047	3	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7685	0.040	2	113.6443	0.047	3	113.6443	0.047	3	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2730	0.000	1	114.2730	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.6230	0.000	1	113.6230	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3880	0.044	2	114.3880	0.002	2	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.1740	0.000	1	115.0927	3.308	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0520	0.342	2	115.0927	3.308	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ag<6>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4145	0.114	2	116.4145	0.013	2	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<3>,1|P<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6090	0.000	1	114.3527	0.258	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6810	0.000	1	114.3527	0.258	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7680	0.000	1	114.3527	0.258	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3370	0.564	2	114.8035	0.462	4	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5830	0.000	1	114.8035	0.462	4	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9570	0.000	1	114.8035	0.462	4	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6390	0.000	1	114.6640	0.021	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6765	0.204	2	114.6640	0.021	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.0955	0.656	22	113.6687	1.344	37	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.7160	0.000	1	113.6687	1.344	37	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0243	0.162	3	113.6687	1.344	37	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4430	0.000	1	113.6687	1.344	37	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0793	0.539	7	113.6687	1.344	37	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6177	0.037	3	113.6687	1.344	37	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1667	0.036	3	114.1280	0.007	4	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0120	0.000	1	114.1280	0.007	4	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8170	0.150	2	114.1500	0.344	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8160	0.000	1	114.1500	0.344	3	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4403	0.573	3	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.5670	2.063	2	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6422	1.607	11	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|I<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|I<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3965	0.166	2	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|N<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3470	0.000	1	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.1010	0.000	1	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<3>,1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9480	0.000	1	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3102	0.150	4	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<5>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6370	0.447	3	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2950	0.119	2	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2248	1.367	5	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9108	1.716	6	115.1961	2.550	41	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5153	0.306	4	114.7830	1.162	8	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2783	0.244	3	114.7830	1.162	8	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.3680	0.000	1	114.7830	1.162	8	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|S<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6620	0.000	1	115.6620	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2620	0.211	2	114.2618	0.021	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|Pd<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3095	0.155	2	114.2618	0.021	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1660	0.000	1	114.2618	0.021	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.7010	2.087	2	115.9029	5.073	7	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4017	0.755	3	115.9029	5.073	7	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|S<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3750	0.000	1	115.9029	5.073	7	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3380	0.000	1	115.9029	5.073	7	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7980	0.000	1	114.7980	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cu<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8583	0.251	6	116.0067	0.130	8	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cu<6>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4520	0.262	2	116.0067	0.130	8	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H){1|C<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|I<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7040	0.301	2	114.7040	0.091	2	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6040	0.000	1	115.8431	6.171	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3720	0.000	1	115.8431	6.171	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|N<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	119.5455	3.680	2	115.8431	6.171	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1995	0.039	2	115.8431	6.171	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6260	0.000	1	115.8431	6.171	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7480	0.000	2	115.8431	6.171	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6300	0.000	1	115.1674	1.012	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1407	0.170	3	115.1674	1.012	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3965	0.125	2	115.1674	1.012	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pt<6>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2500	0.000	1	115.1674	1.012	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Si<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Si<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0120	0.000	1	115.1674	1.012	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.4000	0.000	1	115.1674	1.012	9	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<3>,1|P<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9880	0.000	1	114.4440	0.137	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6220	0.000	1	114.4440	0.137	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3070	0.000	1	114.4440	0.137	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|P<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|P<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6515	0.450	2	114.4440	0.137	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0780	0.000	1	114.0780	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|W<11>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4430	0.027	2	115.4430	0.001	2	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H){2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1370	0.000	1	116.1370	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.0250	0.000	1	113.0250	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Cl<1>,1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4820	0.000	1	114.4820	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<2>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0890	0.000	1	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3177	1.075	3	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|S<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|S<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.8740	0.000	1	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8104	0.216	8	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.6410	0.000	1	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8268	0.764	6	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6200	0.016	2	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6950	0.000	1	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7770	0.000	2	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.5160	0.000	1	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4740	0.000	1	114.8696	0.763	27	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2Ni)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Ni<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2Ni)(C[5,5,6]C[5,6]2H)(H)2{7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.2100	0.000	1	117.2100	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Pd<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2H)(H)2{1|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6320	0.000	1	114.6320	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ir<5>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0583	2.766	6	116.0583	7.653	6	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]MgH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]MgH)2(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Mg<7>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.8225	0.199	2	116.8225	0.039	2	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ni<5>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7313	0.072	4	115.7313	0.005	4	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9760	0.000	1	114.9760	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0095	0.258	2	115.1369	0.334	14	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6090	0.000	1	115.1369	0.334	14	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0090	0.122	4	115.1369	0.334	14	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0463	0.429	4	115.1369	0.334	14	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4540	0.000	1	115.1369	0.334	14	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3070	0.263	2	115.1369	0.334	14	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7060	0.000	1	115.0930	0.255	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<5>,1|O<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7200	0.000	1	115.0930	0.255	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<7>,1|O<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7480	0.000	1	115.0930	0.255	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<5>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6455	0.056	2	115.0930	0.255	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)2(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.4493	0.153	4	117.4493	0.023	4	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhC)(C[5,6]C[5,6]RhH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhC)(C[5,6]C[5,6]RhH)(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<10>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	120.7550	0.000	1	120.7550	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5420	0.058	2	115.5420	0.003	2	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H){1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<10>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	121.0960	0.000	1	117.9232	3.166	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<7>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.1300	0.166	4	117.9232	3.166	5	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RuH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RuH)2(H){3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ru<8>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.3995	0.084	2	117.3995	0.007	2	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Si<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.2570	0.000	1	112.2570	0.000	1	115.0391	2.449	241	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.7535	0.129	2	114.7535	0.017	2	114.7535	0.017	2	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	113.5330	0.000	1	114.0155	0.466	2	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,1|P<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.4980	0.000	1	114.0155	0.466	2	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.3140	0.182	2	114.3662	0.027	5	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Si<4>,1|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2260	0.000	1	114.3662	0.027	5	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.4885	0.139	2	114.3662	0.027	5	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Cr<9>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	117.1033	1.765	4	117.1033	3.116	4	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	117.7280	0.000	1	115.5497	3.584	3	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.3010	0.000	1	115.5497	3.584	3	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.6200	0.000	1	115.5497	3.584	3	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.8530	0.000	1	114.8530	0.000	1	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8200	0.000	1	116.0290	0.087	2	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.2380	0.000	1	116.0290	0.087	2	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.8220	0.511	2	114.8220	0.261	2	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|S<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0170	0.000	1	115.0455	0.002	2	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|S<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|S<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0740	0.000	1	115.0455	0.002	2	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Si<4>,1|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.5450	0.000	1	114.5450	0.000	1	115.2780	1.938	22	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.4770	0.000	1	118.4770	0.000	1	116.0507	4.428	3	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7270	0.000	1	114.7270	0.000	1	116.0507	4.428	3	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Se<2>,1|C<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9480	0.000	1	114.9480	0.000	1	116.0507	4.428	3	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.9500	0.000	1	111.9500	0.000	1	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3500	0.000	1	114.5140	0.054	2	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6780	0.000	1	114.5140	0.054	2	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4380	0.000	1	115.4380	0.000	1	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8880	0.000	1	114.8880	0.000	1	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7970	0.000	1	113.7970	0.000	1	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8590	0.000	1	114.7225	0.064	10	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1990	0.000	1	114.7225	0.064	10	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0010	0.000	1	114.7225	0.064	10	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6630	0.077	3	114.7225	0.064	10	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5443	0.187	4	114.7225	0.064	10	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0470	0.000	1	115.0470	0.000	1	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9030	0.000	1	114.9030	0.000	1	114.5709	0.560	18	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,6|C<3>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2{2|C<4>,5|H<1>}	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	115.3120	0.000	1	115.3120	0.000	1	114.9317	0.144	4	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	114.8050	0.346	3	114.8050	0.119	3	114.9317	0.144	4	115.0546	1.718	535	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H)	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.0240	0.037	2	115.0240	0.001	2	115.0240	0.001	2	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5,5])	110.2185	0.241	2	110.2185	0.058	2	110.2185	0.058	2	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H)	H(C[5,5,6]C[5,5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5]C[5,6])	114.7680	0.110	2	114.7680	0.012	2	114.7680	0.012	2	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H)	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2C[5,5])	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,6|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7975	0.350	2	114.9317	0.102	4	114.9317	0.102	4	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0660	0.335	2	114.9317	0.102	4	114.9317	0.102	4	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8950	0.000	1	114.8950	0.000	1	114.5690	0.103	3	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H){2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4060	0.218	2	114.4060	0.047	2	114.5690	0.103	3	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9300	0.000	1	114.9300	0.000	1	115.1107	0.116	3	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2010	0.429	2	115.2010	0.184	2	115.1107	0.116	3	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	111.1633	0.081	4	111.1633	0.007	4	111.1633	0.007	4	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.3890	0.000	1	110.3890	0.000	1	109.8903	0.187	3	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.6410	0.030	2	109.6410	0.001	2	109.8903	0.187	3	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,2|H<1>,3|O<2>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.3220	0.000	2	110.3220	0.000	2	110.3220	0.000	2	112.7040	5.647	27	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H){1|O<1>,2|C<4>,7|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:2:3:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:N[5]-2:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.6898	0.096	4	110.6898	0.009	4	110.6898	0.009	4	110.6898	0.009	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(CC[6a]O)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){6|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(CC[6a]O)(H){1|C<4>,6|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.2795	0.049	2	114.2795	0.002	2	114.2795	0.002	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4650	0.000	1	114.4650	0.000	1	114.2470	0.095	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0290	0.000	1	114.0290	0.000	1	114.2470	0.095	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br){10|H<1>,2|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7875	0.149	2	114.7875	0.022	2	114.7875	0.022	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Cl)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Cl){10|H<1>,2|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7315	0.078	2	114.7315	0.006	2	114.7315	0.006	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7070	0.000	1	114.7070	0.000	1	114.5725	0.036	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4380	0.000	1	114.4380	0.000	1	114.5725	0.036	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:I-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I){10|H<1>,2|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9150	0.109	2	114.9150	0.012	2	114.9150	0.012	2	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.2600	0.000	1	110.5230	1.086	2	110.0973	1.087	3	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.7860	0.000	1	110.5230	1.086	2	110.0973	1.087	3	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.2460	0.000	1	109.2460	0.000	1	110.0973	1.087	3	113.6847	3.242	17	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H){2|C<3>,6|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO){1|C<4>,2|C<3>,8|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.2655	0.342	2	114.2655	0.117	2	114.2655	0.117	2	114.3195	0.056	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H){4|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2{12|H<1>,4|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3735	0.203	2	114.3735	0.041	2	114.3735	0.041	2	114.3195	0.056	4	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CCHH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CCHH){8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4892	0.167	4	114.4892	0.028	4	114.5060	0.018	6	113.6595	2.497	8	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CH3){8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5395	0.052	2	114.5395	0.003	2	114.5060	0.018	6	113.6595	2.497	8	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	113.6595	2.497	8	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	113.6595	2.497	8	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5,5])	104.9040	0.000	1	104.9040	0.000	1	104.9040	0.000	1	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.7450	0.000	1	116.7450	0.000	1	117.0835	0.229	2	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<2>,1|C<3>,6|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	117.4220	0.000	1	117.4220	0.000	1	117.0835	0.229	2	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6095	0.162	2	114.6095	0.026	2	114.6095	0.026	2	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	109.3320	0.079	2	109.3320	0.006	2	109.4445	0.047	6	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	109.5007	0.253	4	109.5007	0.064	4	109.4445	0.047	6	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.4737	0.055	3	112.4737	0.003	3	112.4737	0.003	3	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H){1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4753	0.188	3	115.4753	0.035	3	115.4753	0.035	3	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H){1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7257	0.190	3	115.7257	0.036	3	115.7257	0.036	3	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H){1|S<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.7210	0.000	1	112.7210	0.000	1	112.5180	0.767	4	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.2840	0.000	1	111.2840	0.000	1	112.5180	0.767	4	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.7120	0.000	1	112.7120	0.000	1	112.5180	0.767	4	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.3550	0.000	1	113.3550	0.000	1	112.5180	0.767	4	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	N[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	114.8913	0.131	3	114.8913	0.017	3	114.8913	0.017	3	112.8744	9.117	28	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3395	0.913	2	114.3395	0.833	2	114.3395	0.833	2	114.3395	0.833	2	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)(CHH)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)(CHH){1|O<1>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CH3)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CH3)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.1080	0.000	1	114.2020	0.018	2	114.2020	0.018	2	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CH3)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CH3)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.2960	0.000	1	114.2020	0.018	2	114.2020	0.018	2	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8635	0.221	8	114.8635	0.049	8	114.6489	1.604	15	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2{1|Se<2>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0350	0.000	1	114.0350	0.000	1	114.6489	1.604	15	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2{3|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	117.3430	0.000	1	114.4652	4.232	6	114.6489	1.604	15	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2{1|O<1>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6030	0.085	3	114.4652	4.232	6	114.6489	1.604	15	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2{3|O<2>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	112.8195	2.719	2	114.4652	4.232	6	114.6489	1.604	15	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,2|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.3980	0.000	1	113.3980	0.000	1	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0820	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|O<1>,2|N<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3900	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,1|S<4>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	119.6870	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.6780	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1790	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|N<3>,1|S<4>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2330	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,9|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1866	0.434	71	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|S<3>,9|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2310	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|S<4>,9|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1140	0.000	1	114.2385	0.584	79	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|N<2>,1|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4657	0.608	6	114.4657	0.370	6	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.7310	2.679	2	112.7310	7.174	2	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,2|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2415	0.152	2	114.2415	0.023	2	114.2109	0.675	90	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<2>,9|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3150	0.000	1	114.3150	0.000	1	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2{2|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4680	0.000	1	114.4630	0.000	2	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|S<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4580	0.000	1	114.4630	0.000	2	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3){2|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3290	0.000	1	114.3290	0.000	1	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3){1|Br<1>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7135	0.248	2	114.7135	0.062	2	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5060	0.110	2	114.3894	0.084	5	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3117	0.373	3	114.3894	0.084	5	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1860	0.000	1	114.1860	0.000	1	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH){4|Cl<1>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3240	1.871	2	114.3240	3.501	2	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H){3|Cl<1>,1|C<4>,1|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH){5|Cl<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.5670	0.000	1	113.5670	0.000	1	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3387	3.080	3	116.3387	9.486	3	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,1|P<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7560	0.000	1	114.7830	0.001	2	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|P<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8100	0.000	1	114.7830	0.001	2	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|S<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2500	2.186	3	116.2500	4.780	3	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CBrHH)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CBrHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3040	0.000	1	114.3040	0.000	1	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<2>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2540	0.144	13	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.9950	0.000	1	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2945	0.151	2	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0701	3.733	14	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9650	0.000	1	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8540	0.000	1	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3260	0.054	2	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4643	0.281	15	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2190	0.211	2	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3650	0.357	3	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1636	0.330	8	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6650	2.691	4	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4946	0.740	91	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<1>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1440	0.164	2	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1072	1.935	21	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|S<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|S<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9390	0.000	1	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0390	0.401	3	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|Sn<4>,1|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|Sn<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.3687	6.116	3	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){2|Cl<1>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{2|Cl<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.0370	0.000	1	114.5029	2.769	188	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6967	0.187	4	114.6291	0.058	7	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5390	0.315	3	114.6291	0.058	7	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2N)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2N)(CH3)2{1|O<1>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3175	0.354	2	114.3175	0.126	2	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]3)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]3)(CH3)2{1|C<4>,1|O<1>,1|S<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3040	0.000	1	114.3040	0.000	1	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|Se<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0440	0.000	1	114.0440	0.000	1	114.5423	2.574	223	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.6190	0.000	1	114.6190	0.000	1	114.9475	0.106	20	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0490	0.000	1	115.0490	0.000	1	114.9475	0.106	20	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|N<2>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0920	0.142	14	115.0920	0.020	14	114.9475	0.106	20	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|O<2>,1|P<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.6075	0.381	2	114.4982	0.179	4	114.9475	0.106	20	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|O<2>,1|P<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.3890	0.585	2	114.4982	0.179	4	114.9475	0.106	20	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,2|O<2>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.5310	0.000	1	117.5310	0.000	1	115.5427	3.003	3	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|Br<1>,1|N<2>,1|S<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7430	0.000	1	114.7430	0.000	1	115.5427	3.003	3	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{2|Cl<1>,1|N<3>,1|S<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3540	0.000	1	114.3540	0.000	1	115.5427	3.003	3	114.4909	1.920	354	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	5:4:4:1:	4:4:1:1:	4:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4210	0.000	1	115.4210	0.000	1	115.3600	0.013	3	115.3600	0.013	3	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	5:4:4:1:	4:4:1:1:	4:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<5>,1|O<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2300	0.000	1	115.3295	0.020	2	115.3600	0.013	3	115.3600	0.013	3	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	H	5:4:4:1:	4:4:1:1:	4:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<7>,1|O<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4290	0.000	1	115.3295	0.020	2	115.3600	0.013	3	115.3600	0.013	3	115.2515	2.922	1856	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	114.7980	0.143	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){4|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	114.2530	0.000	1	114.2530	0.000	1	114.6927	0.148	3	114.7980	0.143	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	114.8550	0.000	1	114.9125	0.007	2	114.6927	0.148	3	114.7980	0.143	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	114.9700	0.000	1	114.9125	0.007	2	114.6927	0.148	3	114.7980	0.143	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	114.9870	0.000	1	114.9870	0.000	1	114.8365	0.045	2	113.7417	2.096	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	114.6860	0.000	1	114.6860	0.000	1	114.8365	0.045	2	113.7417	2.096	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:S[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]S[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]S[5,5])	112.6470	1.203	2	112.6470	1.448	2	112.6470	1.448	2	113.7417	2.096	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])	116.1190	0.146	7	116.1190	0.021	7	116.1190	0.021	7	116.1190	0.021	7	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:2:3:1:	4:2:3:3:	4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H){2|C<3>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	115.3230	0.000	1	115.3230	0.000	1	117.3970	8.603	2	117.3970	8.603	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:2:3:1:	4:2:3:3:	4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){2|C<3>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	119.4710	0.000	1	119.4710	0.000	1	117.3970	8.603	2	117.3970	8.603	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	114.8860	0.000	1	114.8860	0.000	1	114.8860	0.000	1	115.0075	0.030	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	115.1290	0.000	1	115.1290	0.000	1	115.1290	0.000	1	115.0075	0.030	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	115.2600	0.000	1	115.2600	0.000	1	114.7020	0.258	3	114.7020	0.258	3	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	114.4230	0.221	2	114.4230	0.049	2	114.7020	0.258	3	114.7020	0.258	3	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:3:2:1:	4:3:2:3:	4:	C[5,6,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H){3|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	114.5430	0.000	1	114.5430	0.000	1	114.5430	0.000	1	114.5430	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	115.1200	0.000	1	115.1200	0.000	1	115.1200	0.000	1	115.1200	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	H(C[5,5,6]C[5,6,6]N[5,5,6]C[5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]N[5,5,6]C[5])	109.7615	2.266	2	109.7615	5.136	2	109.7615	5.136	2	109.7615	5.136	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6]-3:C[6,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H){1|N<2>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H)	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	114.2970	0.000	1	114.2970	0.000	1	114.2970	0.000	1	114.2970	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5,6]C[5,6,6]C[5,5]N[5,6])	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]N[5,6])	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-3:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	115.2935	0.168	2	115.2935	0.028	2	115.2935	0.028	2	115.2935	0.028	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]O[5,5])	116.6890	0.006	2	116.6890	0.000	2	116.6890	0.000	2	116.6890	0.000	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	115.6432	2.219	5	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	116.2593	0.655	4	116.2593	0.429	4	116.2593	0.429	4	115.6432	2.219	5	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:2:4:2:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:S[5,6]-2:C[6]-4:O[6]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6])	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	H(C[5,5,6]C[5,6,6]Si[3x5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	H(C[5,5,6]C[5,6,6]Si[3x5]C[5,6])	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0690	0.000	1	116.0690	0.000	2	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0690	0.000	1	116.0690	0.000	2	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	112.6160	0.672	4	112.6160	0.452	4	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.5720	0.000	1	115.7230	0.046	2	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8740	0.000	1	115.7230	0.046	2	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	112.8123	1.249	8	112.8123	1.560	8	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.9870	0.066	2	115.9870	0.004	2	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8625	0.151	8	115.8625	0.023	8	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0690	0.000	1	116.0690	0.000	1	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|N<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0540	0.000	1	116.0540	0.000	1	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8670	0.000	1	115.8670	0.000	1	114.6003	2.968	29	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0265	0.487	2	116.0265	0.237	2	115.3976	2.245	7	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	113.4500	1.585	2	115.1460	3.032	5	115.3976	2.245	7	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.2767	0.114	3	115.1460	3.032	5	115.3976	2.245	7	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8060	0.000	1	115.8060	0.000	1	115.9540	0.044	2	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.1020	0.000	1	116.1020	0.000	1	115.9540	0.044	2	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.9640	0.000	1	115.9640	0.000	1	116.0568	0.010	5	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.1200	0.000	1	116.1200	0.000	1	116.0568	0.010	5	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0667	0.119	3	116.0667	0.014	3	116.0568	0.010	5	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8780	0.000	1	115.8780	0.000	1	115.8780	0.000	1	115.0361	2.520	46	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.4110	0.000	1	116.4110	0.000	1	116.4110	0.000	1	116.4110	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.4650	0.000	1	115.4650	0.000	1	115.4650	0.000	1	115.7047	0.091	3	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.6060	0.000	1	115.6060	0.000	1	115.8245	0.095	2	115.7047	0.091	3	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){4|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0430	0.000	1	116.0430	0.000	1	115.8245	0.095	2	115.7047	0.091	3	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.7280	0.000	1	115.7280	0.000	1	115.7280	0.000	1	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.8745	0.926	6	114.8745	0.858	6	114.9926	0.812	7	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.7010	0.000	1	115.7010	0.000	1	114.9926	0.812	7	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.6270	0.000	1	115.7005	0.011	2	115.7721	0.035	9	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.7740	0.000	1	115.7005	0.011	2	115.7721	0.035	9	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	116.0760	0.069	2	116.0760	0.005	2	115.7721	0.035	9	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.7075	0.064	4	115.7075	0.004	4	115.7721	0.035	9	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.5660	0.000	1	115.5660	0.000	1	115.7721	0.035	9	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.3938	1.119	6	114.3938	1.251	6	114.5459	1.322	10	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.7740	1.329	4	114.7740	1.765	4	114.5459	1.322	10	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.3340	0.000	1	115.4105	0.012	2	115.4105	0.012	2	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.4870	0.000	1	115.4105	0.012	2	115.4105	0.012	2	115.0355	1.151	30	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5])	112.8580	0.010	2	112.8580	0.000	2	112.8580	0.000	2	112.8580	0.000	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H)	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH)	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH){1|O<2>,2|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,5])	109.1235	0.103	2	109.1235	0.011	2	109.1235	0.011	2	109.1235	0.011	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.3070	0.000	1	115.0688	0.021	14	115.0688	0.021	14	115.0688	0.021	14	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0505	0.133	13	115.0688	0.021	14	115.0688	0.021	14	115.0688	0.021	14	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	113.8500	0.000	1	113.8500	0.000	1	114.8590	2.036	2	114.9385	0.716	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8680	0.000	1	115.8680	0.000	1	114.8590	2.036	2	114.9385	0.716	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|S<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.2250	0.000	1	115.2250	0.000	1	115.0180	0.086	2	114.9385	0.716	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.8110	0.000	1	114.8110	0.000	1	115.0180	0.086	2	114.9385	0.716	4	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.6310	0.000	1	111.6310	0.000	1	111.6420	0.000	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.6530	0.000	1	111.6530	0.000	1	111.6420	0.000	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.3660	0.000	1	114.2540	0.025	2	114.2540	0.025	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.1420	0.000	1	114.2540	0.025	2	114.2540	0.025	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.9020	0.000	1	114.9020	0.000	1	114.9020	0.000	1	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H){2|C<3>,3|H<1>,6|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.3970	0.430	2	114.3970	0.185	2	114.3970	0.185	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.5250	0.000	1	114.5250	0.000	1	114.3780	0.043	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2310	0.000	1	114.2310	0.000	1	114.3780	0.043	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:S[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	H(C[5,5,6]C[5,6,6]C[5,6]S[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	H(C[5,5,6]C[5,6,6]C[5,6]S[5,5])	115.7175	0.185	2	115.7175	0.034	2	115.7175	0.034	2	114.2307	1.763	12	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6,6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,2|C<4>,3|C<3>,3|H<1>,4|O<2>}	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	112.2115	0.063	2	112.2115	0.004	2	112.2115	0.004	2	112.2115	0.004	2	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5,5])	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6,6]N[5,6])	114.5310	0.000	1	114.5310	0.000	1	114.5310	0.000	1	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	113.5110	0.000	1	113.5110	0.000	1	114.0330	0.545	2	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,1|P<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.5550	0.000	1	114.5550	0.000	1	114.0330	0.545	2	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.6790	0.000	1	114.6790	0.000	1	113.8420	1.401	2	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	113.0050	0.000	1	113.0050	0.000	1	113.8420	1.401	2	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.5840	0.399	2	114.5840	0.159	2	114.6797	0.158	4	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.4030	0.000	1	114.7755	0.278	2	114.6797	0.158	4	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.1480	0.000	1	114.7755	0.278	2	114.6797	0.158	4	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	111.1573	0.145	4	111.1573	0.021	4	111.1573	0.021	4	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2940	0.000	1	114.2940	0.000	1	114.4415	0.044	2	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.5890	0.000	1	114.5890	0.000	1	114.4415	0.044	2	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:Si[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H){1|C<4>,6|C<3>,7|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	113.4429	2.453	17	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	108.9493	0.337	3	108.9493	0.114	3	108.9493	0.114	3	108.9493	0.114	3	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	114.5260	3.512	182	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	2:3:4:1:	4:4:1:1:	4:	O[5,5]-2:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]CC)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]CC)(H)2{1|C<3>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:2:4:4:	4:	N[5,5,6]-3:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:S[5,6]-2:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(S[5,6]C[5,5,6])(CH3)2	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(S[5,6]C[5,5,6])(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:3:3:1:	4:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	114.5500	0.124	4	114.5500	0.015	4	114.5500	0.015	4	114.5500	0.015	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	115.7430	0.124	2	115.7430	0.015	2	115.8730	0.058	3	115.8730	0.058	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.1330	0.000	1	116.1330	0.000	1	115.8730	0.058	3	115.8730	0.058	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:4:2:2:	4:	C[5,6,6a]-3:C[3x5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:C-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[3x5]H)(C[5,6]C[3x5,6]CC)(CN)2	H(C[5,5,6]C[5,6,6a]C[3x5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H){1|Si<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[3x5]H)(C[5,6]C[3x5,6]CC)(CN)2{4|C<3>}	H(C[5,5,6]C[5,6,6a]C[3x5]C[5,6])	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H){1|Si<4>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.7390	0.000	1	116.7390	0.000	1	116.7390	0.000	1	116.3367	0.122	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.1355	0.030	2	116.1355	0.001	2	116.1355	0.001	2	116.3367	0.122	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:2:1:1:	4:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,5,6]C[5,6]N[5,5]S[5,6])	111.9664	0.304	16	111.9664	0.092	16	111.9664	0.092	16	111.9664	0.092	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:3:4:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.3040	0.000	1	115.0663	0.049	3	115.0237	0.026	7	114.9281	0.095	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9475	0.115	2	115.0663	0.049	3	115.0237	0.026	7	114.9281	0.095	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9620	0.000	1	114.9620	0.000	1	115.0237	0.026	7	114.9281	0.095	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.0040	0.214	2	115.0040	0.046	2	115.0237	0.026	7	114.9281	0.095	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9970	0.000	1	114.9970	0.000	1	115.0237	0.026	7	114.9281	0.095	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5,5,6]C[5,6]2O[5,5])	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	114.9281	0.095	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H){1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	114.9665	0.024	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H){1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	114.9665	0.024	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.0530	0.000	1	115.0530	0.000	1	114.9920	0.003	3	115.0529	0.074	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9750	0.000	1	114.9750	0.000	1	114.9920	0.003	3	115.0529	0.074	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H){1|C<4>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9480	0.000	1	114.9480	0.000	1	114.9920	0.003	3	115.0529	0.074	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9220	0.000	1	114.9220	0.000	1	114.9220	0.000	1	115.0529	0.074	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9367	0.051	3	114.9367	0.003	3	114.9367	0.003	3	115.0529	0.074	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H){1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2O[5,5])	115.7150	0.000	1	115.7150	0.000	1	115.7150	0.000	1	115.0529	0.074	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.6580	0.016	2	114.6580	0.000	2	114.6580	0.000	2	114.6064	0.005	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){1|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.6520	0.000	1	114.6520	0.000	1	114.6520	0.000	1	114.6064	0.005	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.5320	0.028	2	114.5320	0.001	2	114.5320	0.001	2	114.6064	0.005	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3820	0.443	2	116.3820	0.196	2	116.5695	0.113	4	116.1697	0.523	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.7570	0.038	2	116.7570	0.001	2	116.5695	0.113	4	116.1697	0.523	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]2N[5,5])	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	116.1697	0.523	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	S[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6]2S[5,5])	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5,6]C[5,6]2S[5,5])	114.9480	0.000	1	114.9480	0.000	1	114.9480	0.000	1	116.1697	0.523	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.9830	0.000	1	116.9830	0.000	1	116.9830	0.000	1	116.9830	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.5600	0.066	2	110.5594	0.450	7	110.6682	0.394	9	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7210	0.000	1	110.5594	0.450	7	110.6682	0.394	9	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7165	0.139	2	110.5594	0.450	7	110.6682	0.394	9	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	111.4360	0.000	1	110.5594	0.450	7	110.6682	0.394	9	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.2060	0.000	1	110.5594	0.450	7	110.6682	0.394	9	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	111.2510	0.000	1	111.0490	0.082	2	110.6682	0.394	9	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.8470	0.000	1	111.0490	0.082	2	110.6682	0.394	9	111.2226	3.424	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:2:3:1:	4:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	117.1800	0.000	1	117.4610	0.158	2	117.4610	0.158	2	117.4610	0.158	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:2:3:1:	4:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<2>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	117.7420	0.000	1	117.4610	0.158	2	117.4610	0.158	2	117.4610	0.158	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H){1|Si<4>,1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2{1|Si<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.1970	0.000	2	114.1970	0.000	2	114.1970	0.000	2	114.2500	0.006	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	114.2500	0.006	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:3:1:1:	4:	P[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	114.2430	0.000	1	114.2430	0.000	1	114.2430	0.000	1	114.2500	0.006	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:3:4:4:	4:	N[5,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	111.2140	0.000	2	111.2140	0.000	2	111.2140	0.000	2	111.2140	0.000	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9835	0.098	4	115.9835	0.010	4	116.0026	0.068	8	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,1|C<3>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.1850	0.000	1	116.2895	0.022	2	116.0026	0.068	8	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,1|C<3>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3940	0.000	1	116.2895	0.022	2	116.0026	0.068	8	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,3|H<1>,3|N<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.4930	0.000	1	115.7540	0.136	2	116.0026	0.068	8	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,3|H<1>,3|N<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.0150	0.000	1	115.7540	0.136	2	116.0026	0.068	8	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7293	1.108	4	114.7293	1.228	4	114.9420	1.147	5	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5,5,6]O)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]N[5,5,6]O)(C[5,6]C[5,6]HH)2(H){1|B<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|B<4>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7930	0.000	1	115.7930	0.000	1	114.9420	1.147	5	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	115.8358	0.326	4	115.9760	0.309	12	115.9750	0.284	13	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	116.0461	0.651	8	115.9760	0.309	12	115.9750	0.284	13	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	115.9630	0.000	1	115.9630	0.000	1	115.9750	0.284	13	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,4|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.3300	0.275	20	115.3300	0.076	20	115.4005	0.098	24	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<2>,1|C<3>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.9780	0.052	2	115.9780	0.003	2	115.4005	0.098	24	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.6120	0.000	1	115.6120	0.000	1	115.4005	0.098	24	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.4420	0.000	1	115.4420	0.000	1	115.4005	0.098	24	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|Br<1>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.2500	0.000	1	116.2500	0.000	1	116.1995	0.005	2	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H){2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.1490	0.000	1	116.1490	0.000	1	116.1995	0.005	2	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8930	0.000	1	115.8930	0.000	1	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.1565	0.128	2	116.1565	0.016	2	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9200	0.064	3	115.7790	0.652	76	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0517	0.943	4	115.7790	0.652	76	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8275	0.446	2	115.7790	0.652	76	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0712	0.311	17	115.7790	0.652	76	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.5286	1.022	34	115.7790	0.652	76	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8997	0.624	16	115.7790	0.652	76	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8680	0.000	1	115.8680	0.000	1	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0380	0.168	5	116.0380	0.028	5	115.8055	0.591	85	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0480	0.000	1	116.0480	0.000	1	115.8927	0.145	7	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6590	0.116	4	115.6590	0.014	4	115.8927	0.145	7	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2825	0.534	2	116.2825	0.285	2	115.8927	0.145	7	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	115.0740	0.000	1	115.0740	0.000	1	115.0740	0.000	1	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5260	0.263	2	114.5962	0.057	6	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5353	0.212	3	114.5962	0.057	6	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.9190	0.000	1	114.5962	0.057	6	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.4806	0.153	8	114.4988	0.024	9	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.6440	0.000	1	114.4988	0.024	9	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.4990	0.171	8	114.7868	3.872	45	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5350	0.000	1	114.7868	3.872	45	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5560	0.000	1	114.7868	3.872	45	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.8663	2.230	35	114.7868	3.872	45	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.4710	0.000	1	114.4710	0.000	1	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H){1|Si<4>,1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.1580	0.000	2	114.1580	0.000	2	114.7025	2.778	63	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.5950	0.028	2	113.5950	0.001	2	113.4692	0.014	9	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4487	0.153	3	113.4487	0.024	3	113.4692	0.014	9	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4555	0.104	2	113.4555	0.011	2	113.4692	0.014	9	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.3880	0.076	2	113.3880	0.006	2	113.4692	0.014	9	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	S[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](S[5,5]C[5,5,6]Pd)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2S[5,5])	C[5,5,6](S[5,5]C[5,5,6]Pd)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2S[5,5])	113.7267	0.242	8	113.7267	0.059	8	113.8069	0.125	12	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	S[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](S[5,5]C[5,5,6]Pt)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2S[5,5])	C[5,5,6](S[5,5]C[5,5,6]Pt)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2S[5,5])	113.9673	0.520	4	113.9673	0.270	4	113.8069	0.125	12	115.2445	1.610	232	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.1390	0.000	1	116.1390	0.000	1	115.5903	0.254	3	115.4310	0.271	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.3160	0.238	2	115.3160	0.056	2	115.5903	0.254	3	115.4310	0.271	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	114.9530	0.000	1	114.9530	0.000	1	114.9530	0.000	1	115.4310	0.271	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.2830	0.000	1	114.2830	0.000	1	114.5697	0.057	6	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.9060	0.000	1	114.9060	0.000	1	114.5697	0.057	6	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.4865	0.241	2	114.5572	0.030	4	114.5697	0.057	6	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.6280	0.115	2	114.5572	0.030	4	114.5697	0.057	6	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Cd<6>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.5705	0.033	2	113.5705	0.001	2	113.4933	0.014	10	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Co<6>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.5037	0.171	4	113.5037	0.029	4	113.4933	0.014	10	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Mn<6>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4920	0.072	2	113.4920	0.005	2	113.4933	0.014	10	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Ni<6>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.3965	0.063	2	113.3965	0.004	2	113.4933	0.014	10	113.9834	0.424	17	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5,5]-2:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,5,6]C[5,6]O[5,5]S[5,6])	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	H(C[5,5,6]C[5,6]O[5,5]S[5,6])	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	3:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.0140	0.000	1	114.9687	0.005	3	114.9687	0.005	3	114.9687	0.005	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	3:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.9460	0.082	2	114.9687	0.005	3	114.9687	0.005	3	114.9687	0.005	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:3:3:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.5960	0.000	1	115.5960	0.000	1	115.5960	0.000	1	115.5960	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:3:4:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.3030	0.000	1	115.3030	0.000	1	115.3030	0.000	1	115.3030	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:3:4:3:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]2O[5,5])	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.9665	0.026	2	114.5902	0.681	4	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.0730	0.000	1	114.5902	0.681	4	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.3550	0.000	1	114.5902	0.681	4	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5,6]C[5,6]2O[5,5])	115.0380	0.000	1	114.9613	0.015	3	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.0240	0.000	1	114.9613	0.015	3	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.8220	0.000	1	114.9613	0.015	3	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.0500	0.000	1	113.5800	5.742	3	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	110.8150	0.000	1	113.5800	5.742	3	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.8750	0.000	1	113.5800	5.742	3	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.7687	0.743	3	114.9688	0.528	4	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.5690	0.000	1	114.9688	0.528	4	114.5614	1.475	14	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.4870	0.000	1	115.4870	0.000	1	115.4843	0.131	4	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.4833	0.443	3	115.4833	0.196	3	115.4843	0.131	4	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.9637	0.050	3	114.9637	0.003	3	114.6516	5.048	9	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.4830	0.000	1	115.8080	0.211	2	114.6516	5.048	9	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	116.1330	0.000	1	115.8080	0.211	2	114.6516	5.048	9	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<2>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	108.7500	0.000	1	108.7500	0.000	1	114.6516	5.048	9	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,2|P<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.5357	0.111	3	115.5357	0.012	3	114.6516	5.048	9	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	116.9160	0.000	1	116.9160	0.000	1	115.6967	1.136	3	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.9420	0.000	1	114.9420	0.000	1	115.6967	1.136	3	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.2320	0.000	1	115.2320	0.000	1	115.6967	1.136	3	114.8477	2.265	31	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:O-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.1115	0.374	8	115.1115	0.140	8	115.0009	0.197	17	115.0832	0.465	23	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.0414	0.294	8	114.9026	0.249	9	115.0009	0.197	17	115.0832	0.465	23	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.7920	0.000	1	114.9026	0.249	9	115.0009	0.197	17	115.0832	0.465	23	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.0923	0.109	4	115.0923	0.012	4	115.3163	1.328	6	115.0832	0.465	23	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H){2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]2O[5,5])	114.0320	0.000	1	114.0320	0.000	1	115.3163	1.328	6	115.0832	0.465	23	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	117.4970	0.000	1	117.4970	0.000	1	115.3163	1.328	6	115.0832	0.465	23	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:2:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.9230	0.000	1	114.9193	0.029	4	114.9193	0.029	4	114.9193	0.029	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:3:2:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|F<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.9180	0.207	3	114.9193	0.029	4	114.9193	0.029	4	114.9193	0.029	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.1457	0.130	3	115.1457	0.017	3	115.1457	0.017	3	114.9961	0.652	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.0550	1.455	2	114.3213	1.272	3	114.3213	1.272	3	114.9961	0.652	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.8540	0.000	1	114.3213	1.272	3	114.3213	1.272	3	114.9961	0.652	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<3>,1|H<1>,1|P<4>}	H(C[5,5,6]C[5,6]2O[5,5])	115.5213	0.433	3	115.5213	0.188	3	115.5213	0.188	3	114.9961	0.652	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:4:4:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3){1|C<3>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	114.1340	0.031	2	114.1340	0.001	2	114.0703	0.013	3	114.0703	0.013	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:3:1:	4:4:4:4:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CH3)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CH3)2{1|O<1>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	113.9430	0.000	1	113.9430	0.000	1	114.0703	0.013	3	114.0703	0.013	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H){1|S<4>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2{2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:2:4:4:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H){1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2{2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H)	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H){1|O<2>,2|C<4>}	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2{2|O<2>,6|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	113.5590	0.000	1	113.5590	0.000	1	113.5590	0.000	1	115.5465	16.789	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.5180	0.000	1	113.5180	0.000	1	113.5180	0.000	1	115.5465	16.789	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4170	0.000	1	113.4170	0.000	1	117.5545	34.238	2	115.5465	16.789	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H){1|S<4>,2|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	121.6920	0.000	1	121.6920	0.000	1	117.5545	34.238	2	115.5465	16.789	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	108.5160	0.000	1	108.5160	0.000	1	109.3460	0.353	5	110.3256	3.034	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	109.4805	0.476	2	109.4805	0.226	2	109.3460	0.353	5	110.3256	3.034	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	109.2370	0.000	1	109.2370	0.000	1	109.3460	0.353	5	110.3256	3.034	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	110.0160	0.000	1	110.0160	0.000	1	109.3460	0.353	5	110.3256	3.034	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5,6]-2:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.7745	0.033	2	112.7745	0.001	2	112.7745	0.001	2	110.3256	3.034	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.7365	7.271	2	115.7365	52.870	2	115.7365	52.870	2	115.7365	52.870	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:3:1:	4:3:4:2:	4:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.6553	1.276	3	110.6553	1.628	3	110.6553	1.628	3	110.6553	1.628	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]N[5,5]N[5,6])	110.7105	0.026	2	110.7105	0.001	2	110.7105	0.001	2	110.7105	0.001	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	112.9660	0.000	1	112.9660	0.000	1	112.9660	0.000	1	112.9660	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.4440	0.062	2	115.4440	0.004	2	115.4440	0.004	2	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	116.2035	0.466	2	116.2035	0.217	2	115.8473	0.489	3	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	115.1350	0.000	1	115.1350	0.000	1	115.8473	0.489	3	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	116.0010	0.000	1	116.0010	0.000	1	116.0010	0.000	1	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3300	0.000	1	114.3300	0.000	1	115.0772	0.697	5	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7110	0.000	1	115.7110	0.000	1	115.0772	0.697	5	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4610	0.000	1	114.4610	0.000	1	115.0772	0.697	5	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H){1|Ga<4>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2110	0.000	1	116.2110	0.000	1	115.0772	0.697	5	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H){1|Rh<6>,3|H<1>,3|N<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6730	0.000	1	114.6730	0.000	1	115.0772	0.697	5	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	116.3850	0.000	1	116.3850	0.000	1	116.3850	0.000	1	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	115.0145	0.063	2	115.0145	0.004	2	115.0145	0.004	2	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5,5,6]C[5,6]2N[5,5])	114.9700	0.103	2	114.9700	0.011	2	114.9700	0.011	2	115.3857	0.460	16	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6]Co)(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|Co<5>,1|B<6>,1|C<3>,1|C<5>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	107.4315	1.029	2	107.4315	1.059	2	107.8060	0.396	5	107.8060	0.396	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	107.8590	0.000	1	107.8590	0.000	1	107.8060	0.396	5	107.8060	0.396	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]S[5])	108.1540	0.000	2	108.1540	0.000	2	107.8060	0.396	5	107.8060	0.396	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){2|C<4>,2|O<1>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	111.5340	0.000	2	111.5340	0.000	2	111.5340	0.000	2	111.5340	0.000	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]N[5,5])	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.9967	2.008	3	114.1170	2.156	5	114.1170	2.156	5	113.8702	2.091	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.7720	0.000	1	114.1170	2.156	5	114.1170	2.156	5	113.8702	2.091	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8230	0.000	1	114.1170	2.156	5	114.1170	2.156	5	113.8702	2.091	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	113.8702	2.091	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[3x5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[5,5,6]C[3x5]C[5,6]O[5,6])	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5,6]C[3x5]C[5,6]O[5,6])	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	115.0248	2.978	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,6])	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	115.0248	2.978	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	115.0248	2.978	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.6780	0.000	1	115.6780	0.000	1	115.3160	0.133	3	115.0248	2.978	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.3220	0.000	1	115.1350	0.070	2	115.3160	0.133	3	115.0248	2.978	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.9480	0.000	1	115.1350	0.070	2	115.3160	0.133	3	115.0248	2.978	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	114.3712	0.289	12	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.6833	0.075	3	114.5830	0.044	4	114.8126	0.297	5	114.3712	0.289	12	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.2820	0.000	1	114.5830	0.044	4	114.8126	0.297	5	114.3712	0.289	12	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.7310	0.000	1	115.7310	0.000	1	114.8126	0.297	5	114.3712	0.289	12	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	114.1375	0.074	2	114.1375	0.006	2	114.1375	0.006	2	114.3712	0.289	12	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	113.9070	0.092	4	113.9070	0.008	4	113.9070	0.008	4	114.3712	0.289	12	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.1215	0.121	2	115.1215	0.015	2	115.1215	0.015	2	114.0760	3.287	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	114.0760	3.287	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-2:H-1:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H){1|N<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.0820	0.000	1	115.0820	0.000	1	115.0820	0.000	1	115.0820	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:3:2:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H){1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.8360	0.042	2	111.8360	0.002	2	111.8360	0.002	2	111.8360	0.002	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H){2|C<4>,2|F<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	111.9900	0.085	2	111.9900	0.007	2	111.9900	0.007	2	111.9900	0.007	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	114.1370	0.000	1	114.1370	0.000	1	116.7165	13.308	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	119.2960	0.000	1	119.2960	0.000	1	116.7165	13.308	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	116.8705	0.323	2	116.8705	0.104	2	116.8705	0.104	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]O[5,6])	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2{1|H<1>,5|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5,6])	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.5620	0.000	1	111.5620	0.000	1	111.3190	1.469	9	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	110.5680	0.000	1	110.5455	0.001	2	111.3190	1.469	9	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	110.5230	0.000	1	110.5455	0.001	2	111.3190	1.469	9	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.5363	1.429	6	111.5363	2.043	6	111.3190	1.469	9	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<2>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.8590	0.000	1	111.8590	0.000	1	112.2475	0.302	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.6360	0.000	1	112.6360	0.000	1	112.2475	0.302	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,5])	117.5422	1.978	4	117.5422	3.913	4	117.5422	3.913	4	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]O[5,6])	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.4390	0.000	1	114.3465	1.647	2	114.3465	1.647	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	115.2540	0.000	1	114.3465	1.647	2	114.3465	1.647	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.5110	0.119	2	113.5140	0.007	3	114.1991	1.393	22	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.5200	0.000	1	113.5140	0.007	3	114.1991	1.393	22	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8820	0.000	1	113.8820	0.000	1	114.1991	1.393	22	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8900	0.000	1	114.3309	1.613	18	114.1991	1.393	22	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	114.4082	1.385	15	114.3309	1.613	18	114.1991	1.393	22	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.9720	0.151	2	114.3309	1.613	18	114.1991	1.393	22	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.8470	0.021	2	113.8470	0.000	2	113.8470	0.000	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H){2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I){2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	115.0660	0.049	2	115.0660	0.002	2	115.0660	0.002	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.5250	0.000	1	114.5250	0.000	1	114.4445	0.013	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.3640	0.000	1	114.3640	0.000	1	114.4445	0.013	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.6810	0.000	1	114.6810	0.000	1	113.9598	0.375	6	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	113.5757	0.181	4	113.5757	0.033	4	113.9598	0.375	6	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.7750	0.000	1	114.7750	0.000	1	113.9598	0.375	6	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H){1|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.2180	0.000	1	114.2180	0.000	1	114.2405	0.001	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.2630	0.000	1	114.2630	0.000	1	114.2405	0.001	2	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.8600	0.000	1	113.8600	0.000	1	113.9343	0.294	3	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|I<1>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.5100	0.000	1	114.5100	0.000	1	113.9343	0.294	3	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4330	0.000	1	113.4330	0.000	1	113.9343	0.294	3	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H){1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|C<4>,2|O<2>,6|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.0370	0.000	1	114.0370	0.000	1	114.0370	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4310	0.038	2	113.4310	0.001	2	113.6550	0.151	3	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.1030	0.000	1	114.1030	0.000	1	113.6550	0.151	3	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|H<1>,1|S<2>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{4|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	112.7300	0.000	1	112.7300	0.000	1	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	113.6766	0.529	8	113.6766	0.280	8	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H){1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.0300	0.000	1	114.0300	0.000	1	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	112.5265	0.013	2	112.5265	0.000	2	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.6041	0.161	8	113.6041	0.026	8	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|H<1>,1|O<2>,1|P<4>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4850	0.000	1	113.4850	0.000	1	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.0730	0.000	1	113.0730	0.000	1	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.0750	0.000	1	113.0750	0.000	1	113.4649	0.254	23	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	114.3930	0.000	1	114.3930	0.000	1	114.3930	0.000	1	113.9613	2.605	96	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.4080	0.000	1	111.4080	0.000	1	111.8305	0.293	4	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.3220	0.000	1	111.3220	0.000	1	111.8305	0.293	4	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.2260	0.000	1	112.2260	0.000	1	111.8305	0.293	4	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.3660	0.000	1	112.3660	0.000	1	111.8305	0.293	4	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:Se-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.9800	0.000	1	112.0732	0.015	9	112.0750	0.013	10	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.1308	0.073	6	112.0732	0.015	9	112.0750	0.013	10	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.0730	0.000	1	112.0732	0.015	9	112.0750	0.013	10	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	111.8210	0.000	1	112.0732	0.015	9	112.0750	0.013	10	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	112.0910	0.000	1	112.0910	0.000	1	112.0750	0.013	10	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H){2|H<1>,3|C<4>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6]C[5,6]O[5,5])	114.2673	0.853	4	114.2673	0.727	4	114.2673	0.727	4	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H){1|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,5,6]C[5,6]2O[5,5])	113.7760	0.000	1	113.7760	0.000	1	113.5033	0.248	9	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.0555	0.268	2	113.0555	0.072	2	113.5033	0.248	9	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<4>,1|P<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.4330	0.000	1	113.4330	0.000	1	113.5033	0.248	9	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.8155	0.009	2	113.8155	0.000	2	113.5033	0.248	9	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.9805	0.008	2	113.9805	0.000	2	113.5033	0.248	9	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	112.6180	0.000	1	112.6180	0.000	1	113.5033	0.248	9	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H){2|C<4>,2|F<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,2|C<4>,2|F<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	113.0943	1.709	35	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	114.7365	0.433	2	114.7365	0.188	2	114.7365	0.188	2	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H)	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.8850	0.000	1	113.8850	0.000	1	113.7807	0.239	8	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,6]2O[5,5])	113.6010	0.000	1	113.6010	0.000	1	113.7807	0.239	8	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.7933	0.571	6	113.7933	0.326	6	113.7807	0.239	8	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrN)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrN)(COO)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	114.0750	0.000	1	114.0750	0.000	1	113.9467	0.806	11	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.6004	0.182	8	113.6004	0.033	8	113.9467	0.806	11	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|I<1>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	116.5640	0.000	1	116.5640	0.000	1	113.9467	0.806	11	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H){1|C<3>,1|I<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.9720	0.000	1	113.9720	0.000	1	113.9467	0.806	11	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.7990	0.000	1	113.7990	0.000	1	113.7990	0.000	1	113.9515	0.543	22	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	113.4410	4.820	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]O[5,5])	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	113.4410	4.820	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H){1|C<2>,1|N<2>,2|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,5,6]C[5,5]C[5,6]O[5,6])	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	113.4410	4.820	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	113.0555	0.293	2	113.0555	0.086	2	113.7140	7.594	5	113.4410	4.820	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H){1|C<3>,1|I<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	118.5370	0.000	1	118.5370	0.000	1	113.7140	7.594	5	113.4410	4.820	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5,6]C[5,6]2O[5,5])	111.9610	0.117	2	111.9610	0.014	2	113.7140	7.594	5	113.4410	4.820	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(CH3)(COO)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	112.5080	0.061	2	112.5080	0.004	2	112.5080	0.004	2	112.5080	0.004	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(CH3)2	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]O[5])	110.3762	1.032	4	110.3762	1.065	4	110.3762	1.065	4	111.1762	2.175	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(CH3)2	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6]2O[5,5])	112.7950	0.000	1	112.7950	0.000	1	112.7760	0.001	2	111.1762	2.175	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO)	H(C[5,5,6]C[5,6]2O[5,5])	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6]2O[5,5])	112.7570	0.000	1	112.7570	0.000	1	112.7760	0.001	2	111.1762	2.175	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.6080	0.000	1	115.6080	0.000	1	115.6415	0.002	2	115.6415	0.002	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.6750	0.000	1	115.6750	0.000	1	115.6415	0.002	2	115.6415	0.002	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.3700	0.000	1	115.3700	0.000	1	115.3700	0.000	1	114.4405	1.728	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:P[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	114.4405	1.728	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,1|O<1>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H)	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	113.0600	0.000	1	113.0600	0.000	1	113.0600	0.000	1	114.8166	3.758	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	111.9705	0.204	2	111.9705	0.042	2	111.9705	0.042	2	114.8166	3.758	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(COO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8300	0.021	2	115.8300	0.000	2	115.8300	0.000	2	114.8166	3.758	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4605	0.025	2	116.4605	0.001	2	116.5040	0.006	3	114.8166	3.758	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5910	0.000	1	116.5910	0.000	1	116.5040	0.006	3	114.8166	3.758	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H){1|N<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	114.8166	3.758	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	112.3140	0.000	1	112.3140	0.000	1	111.0837	2.770	3	111.0837	2.770	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5])	110.4685	1.808	2	110.4685	3.269	2	111.0837	2.770	3	111.0837	2.770	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	112.2647	0.040	3	112.2647	0.002	3	112.2647	0.002	3	112.2647	0.002	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	115.7420	0.112	4	115.7420	0.013	4	115.6662	0.038	5	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	115.3630	0.000	1	115.3630	0.000	1	115.6662	0.038	5	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H){2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.6360	0.429	2	112.6360	0.184	2	112.5300	1.116	9	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.1590	0.000	1	113.1520	0.000	2	112.5300	1.116	9	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.1450	0.000	1	113.1520	0.000	2	112.5300	1.116	9	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Se<2>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.3000	0.000	1	113.3000	0.000	1	112.5300	1.116	9	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.7620	0.000	1	112.7620	0.000	1	112.5300	1.116	9	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|I<1>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.5550	0.000	1	113.5550	0.000	1	112.5300	1.116	9	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7885	0.432	2	110.7885	0.187	2	112.5300	1.116	9	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]Cl2)(N[5]S[5]S)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Cl)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]Cl2)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Cl)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H){1|S<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.4430	0.000	1	110.4430	0.000	1	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H){1|C<3>,1|N<2>,2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.3830	0.536	2	110.3830	0.287	2	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H){1|O<2>,2|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	111.0960	0.000	1	111.0960	0.000	1	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	108.4230	0.000	1	108.4230	0.000	1	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	112.9385	6.243	2	110.1143	1.059	70	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.0333	0.517	67	110.1143	1.059	70	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.8900	0.000	1	110.1143	1.059	70	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	110.6710	0.000	1	110.6710	0.000	1	110.1237	1.036	76	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H){2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	115.1230	0.000	1	115.1230	0.000	1	115.1230	0.000	1	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4682	0.180	4	115.4682	0.033	4	115.5609	0.065	10	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5425	0.402	2	115.5425	0.162	2	115.5609	0.065	10	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8170	0.000	1	115.8955	0.012	2	115.5609	0.065	10	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9740	0.000	1	115.8955	0.012	2	115.5609	0.065	10	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5270	0.000	1	115.5270	0.000	1	115.5609	0.065	10	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3330	0.000	1	115.3330	0.000	1	115.5609	0.065	10	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H){2|Br<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,1|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4770	0.000	1	115.4770	0.000	1	115.4770	0.000	1	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|C<3>,1|S<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5220	0.000	1	116.5220	0.000	1	114.7140	6.538	2	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.9060	0.000	1	112.9060	0.000	1	114.7140	6.538	2	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6020	0.000	1	115.6020	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2133	0.223	3	115.1734	0.075	13	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1614	0.296	10	115.1734	0.075	13	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1640	0.000	1	116.1640	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2490	0.000	1	116.2739	1.193	8	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5490	0.066	3	116.2739	1.193	8	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.8238	1.361	4	116.2739	1.193	8	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6070	0.000	1	115.3673	0.232	3	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2475	0.614	2	115.3673	0.232	3	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4170	1.195	2	116.4170	1.428	2	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7685	0.446	2	114.7685	0.199	2	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0510	0.000	1	116.0510	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2601	0.144	8	115.3936	0.124	13	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2577	0.048	3	115.3936	0.124	13	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1315	0.213	2	115.3936	0.124	13	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3723	0.612	3	116.3723	0.374	3	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2422	0.807	9	116.2104	0.589	10	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9240	0.000	1	116.2104	0.589	10	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7605	0.016	2	115.7605	0.000	2	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<2>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.4140	0.000	1	112.4140	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1390	0.000	1	116.1390	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0633	0.127	3	116.0633	0.016	3	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1650	0.054	2	116.1072	0.008	4	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9880	0.000	1	116.1072	0.008	4	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1110	0.000	1	116.1072	0.008	4	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2{3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.1630	0.000	1	110.1630	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]RhH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|Rh<5>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]RhH)(H)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0075	0.011	2	116.0075	0.000	2	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6780	0.000	1	115.7448	0.121	4	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5235	0.045	2	115.7448	0.121	4	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2540	0.000	1	115.7448	0.121	4	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2150	0.000	1	114.2150	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5420	0.000	1	115.4980	0.123	3	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1280	0.000	1	115.4980	0.123	3	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8240	0.000	1	115.4980	0.123	3	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0600	0.000	1	116.0600	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9745	0.432	2	114.9745	0.187	2	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2090	0.000	1	116.2090	0.000	1	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3155	0.175	2	116.3155	0.031	2	115.6292	0.972	85	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6870	0.170	2	115.6870	0.029	2	115.6870	0.029	2	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.9240	0.083	2	114.9240	0.007	2	114.9240	0.007	2	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	113.4357	0.209	3	113.4357	0.044	3	113.4357	0.044	3	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:S[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]S[5,6])	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7060	0.000	1	115.7060	0.000	1	116.1875	0.492	4	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3480	0.764	3	116.3480	0.583	3	116.1875	0.492	4	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,6]2N[5,5])	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.6077	0.254	4	115.6077	0.065	4	115.9145	0.169	13	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	116.2630	0.000	1	116.2630	0.000	1	115.9145	0.169	13	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.9744	0.129	5	115.9744	0.017	5	115.9145	0.169	13	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.2380	0.000	1	115.2380	0.000	1	115.9145	0.169	13	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,5,6]C[5,6]2P[5,5])	116.5420	0.045	2	116.5420	0.002	2	115.9145	0.169	13	113.5054	7.647	217	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7950	0.000	1	115.7950	0.000	1	115.7950	0.000	1	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.5443	2.110	4	112.5443	4.450	4	112.5443	4.450	4	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2830	0.091	2	116.2830	0.008	2	116.2187	0.017	3	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0900	0.000	1	116.0900	0.000	1	116.2187	0.017	3	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7280	0.000	1	115.7280	0.000	1	115.7280	0.000	1	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,2|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.1670	0.000	1	111.1670	0.000	1	110.8900	0.153	2	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.6130	0.000	1	110.6130	0.000	1	110.8900	0.153	2	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	116.3290	0.000	1	116.3290	0.000	1	116.3290	0.000	1	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	112.4305	0.189	4	112.4305	0.036	4	112.4305	0.036	4	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	113.3129	4.990	19	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	109.9290	0.041	2	109.9290	0.002	2	109.9290	0.002	2	110.0695	0.429	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	110.0695	0.429	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.0695	0.429	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	115.0970	0.000	1	115.0970	0.000	1	115.0970	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	H(C[5,5,6]C[3,5,5]C[5,6]2)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]2)	115.7867	0.187	3	115.7867	0.035	3	115.7867	0.035	3	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H){3|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	115.2080	0.000	1	115.2080	0.000	1	115.2080	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.6640	0.000	1	112.6640	0.000	1	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.2980	0.000	1	112.2980	0.000	1	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.9640	0.000	1	111.9640	0.000	1	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.3720	0.000	1	113.3720	0.000	1	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.6260	0.168	2	111.2745	0.084	6	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.0987	0.079	4	111.2745	0.084	6	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.4540	0.000	1	109.4540	0.000	1	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(CNO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.2680	1.165	2	109.2680	1.358	2	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7819	0.156	8	110.7819	0.024	8	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.2695	0.248	2	111.0480	0.123	10	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.4470	0.000	1	111.0480	0.123	10	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.0592	0.315	4	111.0480	0.123	10	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7523	0.335	3	111.0480	0.123	10	111.0539	0.774	31	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H)	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]N[5])	112.3300	0.000	1	112.3300	0.000	1	112.3300	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<3>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6730	0.000	1	115.7017	0.009	3	115.6324	0.119	11	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7160	0.130	2	115.7017	0.009	3	115.6324	0.119	11	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5185	0.781	2	115.5362	0.271	5	115.6324	0.119	11	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0790	0.000	1	115.5362	0.271	5	115.6324	0.119	11	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|Co<5>,1|B<6>,1|C<3>,1|C<5>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7825	0.378	2	115.5362	0.271	5	115.6324	0.119	11	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7440	0.000	1	115.7233	0.000	3	115.6324	0.119	11	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7130	0.000	2	115.7233	0.000	3	115.6324	0.119	11	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6662	0.173	5	115.6662	0.030	5	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0920	0.000	1	115.5935	0.503	2	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0950	0.000	1	115.5935	0.503	2	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.0210	0.255	2	116.0210	0.065	2	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2980	0.000	1	115.2980	0.000	1	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4232	0.785	13	115.4232	0.616	13	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3160	0.960	4	115.3160	0.922	4	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9970	1.794	3	114.9970	3.218	3	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H){3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8830	0.000	1	115.8830	0.000	1	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2067	0.632	4	116.2067	0.399	4	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4560	0.533	2	116.4560	0.284	2	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.9477	3.160	3	118.9477	9.987	3	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9830	0.000	1	115.9830	0.000	1	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9630	0.000	1	115.9630	0.000	1	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Si<4>,1|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.4460	0.000	1	113.4460	0.000	1	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|Si<4>,1|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.0180	0.000	1	111.0180	0.000	1	115.6930	2.400	44	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4910	0.000	1	116.4910	0.000	1	116.4910	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7900	0.000	1	113.7900	0.000	1	113.7900	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5110	0.000	1	116.5110	0.000	1	116.5110	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0648	1.476	4	115.0648	2.178	4	115.7619	1.495	9	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8660	0.000	1	115.9225	0.006	2	115.7619	1.495	9	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9790	0.000	1	115.9225	0.006	2	115.7619	1.495	9	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.5470	0.000	1	116.5843	0.696	3	115.7619	1.495	9	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1030	0.051	2	116.5843	0.696	3	115.7619	1.495	9	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	115.8550	0.000	1	115.8550	0.000	1	115.8550	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,5,6]C[5,6]2N[5,5])	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.8180	0.000	1	115.8180	0.000	1	115.6324	0.101	5	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.9200	0.000	1	115.9200	0.000	1	115.6324	0.101	5	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.4747	0.327	3	115.4747	0.107	3	115.6324	0.101	5	114.3252	5.749	116	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:C-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2670	0.000	1	115.2670	0.000	1	115.2670	0.000	1	115.2670	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,6])	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<3>,9|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,6])	112.1455	0.636	2	112.1455	0.404	2	112.1455	0.404	2	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(COO)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<2>,1|S<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(COO)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(CNO)(NCH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(CNO)(NCH){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9180	0.000	1	115.9180	0.000	1	115.9180	0.000	1	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1390	0.180	2	116.1390	0.032	2	116.1390	0.032	2	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4070	0.000	1	116.4070	0.000	1	116.4070	0.000	1	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[5]C[5]2)(CNO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[5]C[5]2)(CNO){2|O<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3340	0.000	1	116.3340	0.000	1	116.3340	0.000	1	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,1|O<1>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.1300	0.000	1	111.1225	0.000	2	111.1225	0.000	2	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,2|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.1150	0.000	1	111.1225	0.000	2	111.1225	0.000	2	114.3637	5.701	10	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H)	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	115.3680	0.346	2	115.3680	0.120	2	115.3680	0.120	2	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	114.9910	0.038	2	114.9910	0.001	2	115.3139	0.057	8	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H)	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	115.4760	0.000	1	115.4760	0.000	1	115.3139	0.057	8	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	115.3697	0.168	4	115.3697	0.028	4	115.3139	0.057	8	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H)	H(C[5,5,6]As[5,5]C[5,6]2)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]As[5,5]C[5,6]2)	115.5740	0.000	1	115.5740	0.000	1	115.3139	0.057	8	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(C[5,5,6]C[3x5]C[5,6]2)	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,5,6]C[3x5]C[5,6]2)	115.8645	0.146	4	115.8645	0.021	4	115.8645	0.021	4	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7935	0.078	2	115.7935	0.006	2	115.7935	0.006	2	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8470	0.000	1	115.8470	0.000	1	115.3549	0.919	11	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4940	0.000	1	115.4940	0.000	1	115.3549	0.919	11	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4210	0.000	1	115.4210	0.000	1	115.3549	0.919	11	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8902	1.601	4	114.8902	2.563	4	115.3549	0.919	11	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6453	0.110	4	115.6453	0.012	4	115.3549	0.919	11	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4215	0.315	2	116.4215	0.099	2	116.4215	0.099	2	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.0277	3.977	4	111.0277	15.817	4	111.0277	15.817	4	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	112.3685	0.170	4	112.3685	0.029	4	112.3685	0.029	4	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.8080	0.000	1	115.8080	0.000	1	115.8080	0.000	1	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.2910	0.000	1	115.2910	0.000	1	115.5243	0.041	3	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.6640	0.000	1	115.6640	0.000	1	115.5243	0.041	3	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.6180	0.000	1	115.6180	0.000	1	115.5243	0.041	3	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.7060	0.075	3	115.7060	0.006	3	115.7624	0.032	5	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H)	H(C[5,5,6]C[5,6]2P[5,5])	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6]2P[5,5])	115.8470	0.305	2	115.8470	0.093	2	115.7624	0.032	5	114.7977	3.921	47	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a])	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H){10|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a]){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	109.0645	0.042	2	109.0645	0.002	2	109.0645	0.002	2	109.0645	0.002	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO)	H(C[5,5,6]C[3,5,5]C[5,6]2)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]2)	115.8705	0.013	2	115.8705	0.000	2	115.9587	0.023	3	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO)	H(C[5,5,6]C[3,5,5]C[5,6]2)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]2)	116.1350	0.000	1	116.1350	0.000	1	115.9587	0.023	3	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6397	0.143	3	115.6397	0.020	3	115.6538	0.011	5	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6630	0.000	1	115.6630	0.000	1	115.6538	0.011	5	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)(COO){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6870	0.000	1	115.6870	0.000	1	115.6538	0.011	5	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)(COO){1|C<4>,1|N<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.9070	0.000	1	116.3294	1.108	5	116.3294	1.108	5	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5460	0.000	1	116.3294	1.108	5	116.3294	1.108	5	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6000	0.000	1	116.3294	1.108	5	116.3294	1.108	5	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2970	0.891	2	116.3294	1.108	5	116.3294	1.108	5	115.9931	0.437	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(C[5]N[5]O)(H){2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	114.0452	21.927	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH)	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]N[5,5])	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	114.0452	21.927	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3020	0.000	1	116.3020	0.000	1	117.4127	0.932	3	114.0452	21.927	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3){1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.9680	0.115	2	117.9680	0.013	2	117.4127	0.932	3	114.0452	21.927	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){3|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H){1|S<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	111.5055	3.048	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[6]-2:N[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	111.5055	3.048	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.1220	0.000	1	111.1220	0.000	1	111.2315	0.024	2	111.2315	0.024	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	111.3410	0.000	1	111.3410	0.000	1	111.2315	0.024	2	111.2315	0.024	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4035	0.213	2	114.4035	0.045	2	114.4035	0.045	2	113.9218	2.220	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	113.9218	2.220	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	113.9218	2.220	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	113.9218	2.220	5	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.1260	0.000	1	115.1260	0.000	1	115.1260	0.000	1	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	114.9720	0.058	2	114.9720	0.003	2	114.9720	0.003	2	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3250	0.000	1	114.3250	0.000	1	114.2080	0.027	2	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0910	0.000	1	114.0910	0.000	1	114.2080	0.027	2	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6715	0.288	2	114.6715	0.083	2	114.6715	0.083	2	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7950	0.000	1	113.7950	0.000	1	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	107.4530	0.000	1	107.4530	0.000	1	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8870	0.000	1	114.7758	3.082	19	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9259	1.956	15	114.7758	3.082	19	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3213	0.283	3	114.7758	3.082	19	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3240	0.011	2	114.4455	0.402	102	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6815	0.192	4	114.4455	0.402	102	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4409	0.656	94	114.4455	0.402	102	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3115	0.411	2	114.4455	0.402	102	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1040	0.000	1	114.4000	0.175	2	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6960	0.000	1	114.4000	0.175	2	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2{1|Ga<4>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6710	0.000	1	114.6710	0.000	1	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]HH)2(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2{1|Sn<2>,1|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.5437	0.327	3	118.5437	0.107	3	114.5313	1.541	129	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9770	0.000	1	113.9770	0.000	1	113.9770	0.000	1	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6]-4:N[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	114.7315	0.070	2	114.7315	0.005	2	114.7315	0.005	2	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-3:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H){1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7440	0.000	1	114.7440	0.000	1	114.7440	0.000	1	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	114.7803	0.389	3	114.7803	0.151	3	114.7803	0.151	3	114.5272	1.434	145	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	109.3370	0.038	2	109.3370	0.001	2	109.3370	0.001	2	110.6797	2.724	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	110.6797	2.724	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H){2|C<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	110.6797	2.724	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H){2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	113.1834	4.157	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5210	0.139	2	114.5210	0.019	2	114.5210	0.019	2	113.1834	4.157	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	113.1834	4.157	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	113.1834	4.157	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6700	0.136	3	114.6700	0.019	3	114.6700	0.019	3	113.1834	4.157	8	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7300	0.000	1	114.7590	0.002	2	114.7590	0.002	2	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7880	0.000	1	114.7590	0.002	2	114.7590	0.002	2	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	108.9070	0.000	1	108.9070	0.000	1	109.9405	2.136	2	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.9740	0.000	1	110.9740	0.000	1	109.9405	2.136	2	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.3810	0.000	1	110.3810	0.000	1	109.8893	0.182	3	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.6435	0.035	2	109.6435	0.001	2	109.8893	0.182	3	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9520	0.000	1	114.9520	0.000	1	114.9113	0.013	3	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7810	0.000	1	114.7810	0.000	1	114.9113	0.013	3	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0010	0.000	1	115.0010	0.000	1	114.9113	0.013	3	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	112.2200	6.763	14	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5])	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5]){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.6928	0.099	4	110.6928	0.010	4	110.6928	0.010	4	110.6928	0.010	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O){1|N<4>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2040	0.031	3	114.2040	0.001	3	114.0929	0.787	9	114.0929	0.787	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.8160	0.000	1	111.8160	0.000	1	114.0929	0.787	9	114.0929	0.787	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4310	0.000	1	114.2240	0.086	2	114.0929	0.787	9	114.0929	0.787	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0170	0.000	1	114.2240	0.086	2	114.0929	0.787	9	114.0929	0.787	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6533	0.085	3	114.6533	0.007	3	114.0929	0.787	9	114.0929	0.787	9	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	H(C[5,5,6]C[3,5,5,6]C[5,5,6]C[5,6])	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[5,5,6]C[3,5,5,6]C[5,5,6]C[5,6])	115.6280	0.034	2	115.6280	0.001	2	115.6280	0.001	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.6033	0.077	4	115.6033	0.006	4	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){6|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.3190	0.017	2	114.3190	0.000	2	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H){2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.2700	0.423	2	114.2700	0.179	2	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.3460	0.109	2	115.3460	0.012	2	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	116.0055	0.145	2	116.0055	0.021	2	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.4595	0.128	4	115.4595	0.016	4	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|W<6>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.2190	0.054	2	115.2190	0.003	2	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.9270	0.000	1	114.8635	0.008	2	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.8000	0.000	1	114.8635	0.008	2	115.2148	0.319	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<5>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.1490	0.146	2	115.1490	0.021	2	115.2182	0.031	11	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.2010	0.000	1	115.3498	0.010	5	115.2182	0.031	11	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.3570	0.086	2	115.3498	0.010	5	115.2182	0.031	11	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.4170	0.052	2	115.3498	0.010	5	115.2182	0.031	11	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.1295	0.272	2	115.1295	0.074	2	115.2182	0.031	11	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6,6]C[5,5]C[5,6])	115.0470	0.018	2	115.0470	0.000	2	115.2182	0.031	11	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]2)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]2)	113.4548	0.121	4	113.4548	0.015	4	113.4548	0.015	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]2)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]2)	113.4395	0.124	4	113.4395	0.015	4	113.4395	0.015	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H){1|C<4>,1|N<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.8700	0.000	1	111.8700	0.000	1	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H){1|Br<1>,1|C<4>,3|O<2>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|Br<1>,4|C<4>,4|O<2>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7410	0.000	1	110.7410	0.000	1	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.5750	1.833	2	110.5750	3.359	2	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.0795	0.120	2	111.0795	0.014	2	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.7110	0.000	1	111.7110	0.000	1	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.3930	0.211	2	111.3930	0.044	2	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.5930	1.076	2	111.5930	1.158	2	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	113.6950	0.000	1	113.6950	0.000	1	111.4415	1.111	12	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5]C[5,6]2)	C[5,5,6](C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]HH)2(H){1|O<1>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5]C[5,6]2)	114.4783	0.203	15	114.4783	0.041	15	114.4783	0.041	15	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	H(C[5,5,6]C[4,5,6,6]C[5,5,6]C[5,6])	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[5,5,6]C[4,5,6,6]C[5,5,6]C[5,6])	114.3460	0.353	3	114.3460	0.125	3	114.3460	0.125	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	107.7960	0.584	2	107.7960	0.341	2	113.9058	6.897	14	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.0620	0.129	10	115.0620	0.017	10	113.9058	6.897	14	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	114.9170	0.000	1	114.9170	0.000	1	113.9058	6.897	14	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	113.5520	0.000	1	113.5520	0.000	1	113.9058	6.897	14	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.6490	0.000	1	114.6365	0.000	2	114.7677	0.025	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.6240	0.000	1	114.6365	0.000	2	114.7677	0.025	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.7460	0.000	1	114.8332	0.024	4	114.7677	0.025	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.6580	0.000	1	114.8332	0.024	4	114.7677	0.025	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.9810	0.000	1	114.8332	0.024	4	114.7677	0.025	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	114.9480	0.000	1	114.8332	0.024	4	114.7677	0.025	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,5|C<4>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.9030	0.027	2	114.8200	0.021	3	114.8200	0.021	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	H(C[5,5,6]C[5,4x6]C[5,5,6]C[5,6])	114.6540	0.000	1	114.8200	0.021	3	114.8200	0.021	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,3x6]C[5,5]C[5,6])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,5]C[5,6])	114.7490	0.098	2	114.7490	0.010	2	114.7490	0.010	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	113.6215	0.619	2	114.7519	0.340	17	114.6661	0.332	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.9026	0.392	15	114.7519	0.340	17	114.6661	0.332	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.0550	0.000	1	114.0550	0.000	1	114.6661	0.332	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.1690	0.000	1	114.2425	0.011	2	114.6661	0.332	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	114.3160	0.000	1	114.2425	0.011	2	114.6661	0.332	20	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	114.6195	0.484	2	114.6195	0.235	2	114.7430	0.163	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H)	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<4>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	114.9900	0.000	1	114.9900	0.000	1	114.7430	0.163	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	113.9333	1.047	3	113.8150	0.485	6	113.8150	0.485	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	113.6967	0.276	3	113.8150	0.485	6	113.8150	0.485	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	113.2337	0.681	3	112.9138	0.354	6	112.9138	0.354	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	112.5940	0.336	3	112.9138	0.354	6	112.9138	0.354	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2{4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]2)	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5,6])	113.9700	0.000	1	113.9700	0.000	1	113.9700	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3070	0.000	1	114.3070	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|P<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0620	0.000	1	115.0620	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1190	0.000	1	115.1190	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8630	0.000	1	114.8630	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4690	0.000	1	114.7522	0.017	11	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6985	0.156	2	114.7522	0.017	11	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7550	0.000	1	114.7522	0.017	11	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8076	0.082	7	114.7522	0.017	11	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3900	0.000	1	114.3900	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<10>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.3730	0.093	2	116.3730	0.009	2	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Fe<10>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.5950	0.000	1	116.5950	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8110	0.477	2	114.9248	0.111	4	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0385	0.231	2	114.9248	0.111	4	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.0010	0.000	1	113.0010	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9930	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4890	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.6870	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6945	0.070	2	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|N<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7410	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6808	0.098	4	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9500	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8950	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5220	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7637	0.043	3	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7170	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9032	0.626	11	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7655	0.231	2	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9265	0.135	2	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4460	0.000	1	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.0205	0.115	2	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3810	0.130	2	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7962	0.418	13	114.7863	0.242	50	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3105	1.050	2	114.3105	1.103	2	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6025	0.151	2	114.6025	0.023	2	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ti<8>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.9492	0.471	9	115.9492	0.222	9	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<2>,1|S<3>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8400	0.000	1	114.8400	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8226	0.165	7	114.8226	0.027	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8415	0.221	2	114.8415	0.049	2	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0000	0.000	1	115.0000	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.7940	0.000	1	114.9543	0.072	8	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1130	0.162	4	114.9543	0.072	8	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.5280	0.000	1	114.9543	0.072	8	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1740	0.000	1	114.9543	0.072	8	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6860	0.000	1	114.9543	0.072	8	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.7860	0.000	1	113.7860	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6745	0.033	2	114.9583	0.042	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.1430	0.021	2	114.9583	0.042	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	115.0243	0.058	3	114.9583	0.042	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9270	0.000	1	114.9270	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8540	0.000	1	114.8540	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	117.2330	0.000	1	117.2330	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<2>,1|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.9050	0.000	1	113.9050	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3850	0.000	1	114.3850	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.1150	0.000	1	114.1150	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|O<1>,2|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8050	0.000	1	114.8050	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	117.8710	0.000	1	115.5429	2.335	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6073	0.094	3	115.5429	2.335	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6230	0.000	1	115.5429	2.335	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	116.2420	2.031	2	115.5429	2.335	7	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.6060	0.000	1	114.6060	0.000	1	114.9440	0.507	129	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.3480	0.000	1	113.3480	0.000	1	113.5382	0.023	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.5675	0.230	2	113.5762	0.018	5	113.5382	0.023	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6360	0.028	2	113.5762	0.018	5	113.5382	0.023	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.4740	0.000	1	113.5762	0.018	5	113.5382	0.023	6	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|C<2>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.8790	0.000	1	114.8790	0.000	1	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.3510	0.000	1	113.3510	0.000	1	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.2135	0.316	2	114.2135	0.100	2	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H){1|N<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2{1|Fe<5>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.7987	0.027	3	113.7987	0.001	3	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.5715	0.138	2	113.6108	0.012	6	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6305	0.108	4	113.6108	0.012	6	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6330	0.000	1	113.5995	0.002	2	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.5660	0.000	1	113.5995	0.002	2	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6760	0.093	2	113.6760	0.009	2	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]C)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|Se<2>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	112.7210	0.000	1	112.7210	0.000	1	113.7217	0.192	18	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.8750	0.000	1	114.8750	0.000	1	114.3145	0.776	8	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.6780	0.000	1	114.6780	0.000	1	114.3145	0.776	8	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.5735	0.086	4	114.5735	0.007	4	114.3145	0.776	8	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.5130	0.000	1	114.5130	0.000	1	114.3145	0.776	8	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	112.1560	0.000	1	112.1560	0.000	1	114.3145	0.776	8	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.6250	0.000	1	114.6250	0.000	1	114.6275	0.000	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	114.6300	0.000	1	114.6300	0.000	1	114.6275	0.000	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|P<5>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2780	0.000	1	114.2780	0.000	1	114.2780	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9830	0.000	1	114.1788	0.247	76	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.5320	0.000	1	114.1788	0.247	76	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8600	0.000	1	114.1788	0.247	76	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1682	0.469	70	114.1788	0.247	76	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9900	0.000	1	114.1788	0.247	76	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3540	0.000	1	114.1788	0.247	76	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0960	0.000	1	114.1788	0.247	76	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3790	0.000	1	113.9890	0.933	8	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1300	0.000	1	113.9890	0.933	8	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9005	1.124	6	113.9890	0.933	8	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1155	2.980	2	114.1155	8.883	2	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1990	2.817	2	116.1990	7.936	2	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.8100	0.000	1	112.8100	0.000	1	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9235	0.049	2	113.9235	0.002	2	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3410	0.000	1	114.3410	0.000	1	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3910	0.000	1	114.3910	0.000	1	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|O<1>,3|H<1>,7|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5520	0.000	1	114.5520	0.000	1	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4090	0.021	2	114.4090	0.000	2	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4310	0.000	1	114.4310	0.000	1	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|O<1>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3300	0.000	1	114.3300	0.000	1	114.2005	0.543	98	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3560	0.546	2	114.3560	0.298	2	114.8215	0.450	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<2>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5910	0.000	1	115.2870	0.185	2	114.8215	0.450	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9830	0.000	1	115.2870	0.185	2	114.8215	0.450	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(Cl)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(Cl)2{1|Cl<1>,1|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6560	3.210	2	114.6560	10.306	2	114.3083	5.516	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H){3|Cl<1>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.6130	0.000	1	113.6130	0.000	1	114.3083	5.516	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H){2|Cl<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1565	1.756	2	115.1565	3.083	2	115.1565	3.083	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6020	0.000	1	114.6020	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6995	0.564	2	114.1298	0.319	83	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.2140	0.000	1	114.1298	0.319	83	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1777	0.274	72	114.1298	0.319	83	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1300	0.014	2	114.1298	0.319	83	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8512	1.464	6	114.1298	0.319	83	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2310	0.137	2	114.2310	0.019	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1330	0.000	1	114.1330	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.4420	0.000	1	113.6190	0.024	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7075	0.033	2	113.6190	0.024	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3080	0.000	1	114.3080	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3645	0.011	2	114.4243	0.011	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5440	0.000	1	114.4243	0.011	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6890	0.294	2	114.6890	0.087	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5315	0.197	2	114.3820	0.092	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2823	0.356	3	114.3820	0.092	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1720	0.000	1	114.1720	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H){3|Cl<1>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2{2|Cl<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.5460	0.000	1	113.5460	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8897	1.240	3	113.8897	1.537	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8000	0.000	1	114.7975	0.000	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7950	0.000	1	114.7975	0.000	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<3>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9493	1.666	3	115.9493	2.775	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3021	0.150	14	114.1438	0.526	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9272	1.093	11	114.1438	0.526	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3100	0.000	1	114.1438	0.526	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2{1|Co<9>,2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9065	0.309	2	113.9065	0.095	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0220	0.027	2	114.0220	0.001	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2{3|H<1>,6|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3310	0.000	1	114.3310	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3195	0.173	2	114.1953	0.061	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9470	0.000	1	114.1953	0.061	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.8740	0.000	1	111.8740	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){2|Cl<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.6350	2.070	2	116.6350	4.287	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2701	0.165	14	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4500	0.000	1	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8036	3.204	14	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9510	0.000	1	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8350	0.000	1	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3735	0.001	2	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8931	1.757	14	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1390	0.052	2	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3520	0.313	3	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1705	0.342	8	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.4038	1.871	4	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3973	0.758	95	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0525	0.033	2	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9467	1.461	21	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9200	0.000	1	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3230	0.314	2	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0722	0.344	4	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|Sn<4>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1627	2.257	3	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5074	0.130	9	114.3058	1.565	201	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3255	0.162	2	114.1132	0.302	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1615	0.128	2	114.1132	0.302	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1925	0.447	4	114.1132	0.302	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9038	0.891	4	114.1132	0.302	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6852	0.179	4	114.2413	0.884	27	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1600	0.093	2	114.2413	0.884	27	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1644	1.048	21	114.2413	0.884	27	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9320	0.000	1	113.9320	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9715	0.306	2	113.9715	0.094	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2705	0.260	2	114.2705	0.067	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SnH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|Sn<4>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SnH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4993	2.838	3	115.4993	8.054	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<3>,1|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0790	0.000	1	114.0790	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3580	0.940	2	114.3580	0.884	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3645	0.845	2	114.3645	0.714	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H){4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3847	0.155	3	114.3847	0.024	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8415	0.078	4	114.8415	0.006	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7057	0.136	4	114.7057	0.018	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7360	0.000	1	114.7360	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4530	0.000	1	114.4530	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3790	0.000	1	114.3790	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9265	0.187	4	114.9265	0.035	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3350	0.000	1	114.3350	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.6750	0.000	1	113.6750	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4110	0.068	2	114.4110	0.005	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1900	0.000	1	114.4693	0.418	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1090	0.238	2	114.4693	0.418	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ag<6>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.4500	0.040	2	116.4500	0.002	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5400	0.000	1	114.3217	0.238	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6620	0.000	1	114.3217	0.238	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7630	0.000	1	114.3217	0.238	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6223	0.044	3	114.6223	0.002	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.0859	0.729	20	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.0230	0.000	1	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1767	0.059	3	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0100	0.134	3	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4340	0.000	1	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4140	0.634	7	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7220	0.000	1	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9930	0.000	1	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7850	0.000	1	113.5824	0.776	38	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<3>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0390	0.000	1	114.0390	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.6610	0.307	2	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4147	0.571	3	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5432	0.589	10	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|I<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3560	0.173	2	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3190	0.000	1	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.0350	0.000	1	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3295	0.161	4	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<5>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6347	0.418	3	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2710	0.089	2	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2064	1.403	5	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.9853	1.799	6	114.7634	1.447	39	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	107.7790	7.777	2	112.7041	21.877	7	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3727	0.722	3	112.7041	21.877	7	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3720	0.000	1	112.7041	21.877	7	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8810	0.000	1	112.7041	21.877	7	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7700	0.000	1	114.7700	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.8358	0.260	6	116.0044	0.158	8	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<6>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.5100	0.288	2	116.0044	0.158	8	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H){1|C<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5945	0.214	2	114.5945	0.046	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5900	0.000	1	114.3958	2.565	10	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3775	0.037	2	114.3958	2.565	10	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.1335	4.293	2	114.3958	2.565	10	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1715	0.022	2	114.3958	2.565	10	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6050	0.000	1	114.3958	2.565	10	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6990	0.000	2	114.3958	2.565	10	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0693	0.183	3	115.0693	0.033	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6890	0.000	1	114.6890	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3835	0.204	2	114.4930	0.125	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pt<6>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3110	0.000	1	114.4930	0.125	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Si<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0930	0.000	1	114.4930	0.125	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2940	0.000	1	114.4930	0.125	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0330	0.000	1	114.2810	0.075	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5750	0.000	1	114.2810	0.075	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2350	0.000	1	114.2810	0.075	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6475	0.421	2	114.6475	0.177	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1190	0.000	1	114.1190	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|W<11>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5205	0.028	2	115.5205	0.001	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.3270	0.000	1	113.3270	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|P<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.0330	0.000	1	113.0330	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4680	0.000	1	114.4680	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.3820	0.000	1	114.6868	0.544	13	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7270	0.000	1	114.6868	0.544	13	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8272	0.374	5	114.6868	0.544	13	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9472	0.754	6	114.6868	0.544	13	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.6600	0.000	1	112.6600	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6580	0.000	1	114.6580	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0580	0.000	1	114.0580	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6370	0.000	1	114.6370	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8000	0.000	1	114.8000	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7500	0.000	1	114.6310	0.018	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6560	0.000	1	114.6310	0.018	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Cl<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4870	0.000	1	114.6310	0.018	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6300	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7892	0.205	8	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8640	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8478	0.754	6	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Cl<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4670	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6285	0.076	2	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6730	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7240	0.000	2	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Ni<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.3460	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.2550	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Pd<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5930	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4290	0.000	1	114.8986	0.477	26	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7780	0.000	1	114.7707	0.000	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7670	0.000	2	114.7707	0.000	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2975	0.559	2	114.6105	0.288	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2050	0.000	1	114.6105	0.288	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Pd<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6420	0.000	1	114.6105	0.288	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.6330	0.000	1	113.6330	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]NiH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Ni<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]NiH)(H)2{1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.2010	0.000	1	117.2010	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ir<5>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.1792	1.502	6	116.1792	2.256	6	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<5>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7113	0.048	4	115.7113	0.002	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0675	0.289	2	115.0675	0.084	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6360	0.000	1	115.1628	0.403	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0182	0.131	4	115.1628	0.403	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9370	0.489	3	115.1628	0.403	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<5>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3940	0.000	1	115.1628	0.403	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3980	0.000	1	115.1628	0.403	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	116.3205	0.262	2	115.1628	0.403	12	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<6>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5680	0.000	1	115.1030	0.273	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<5>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8250	0.000	1	115.1030	0.273	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<5>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7980	0.000	1	115.1030	0.273	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.6620	0.109	2	115.1030	0.273	5	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5400	0.058	2	115.5400	0.003	2	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	118.3960	0.000	1	118.3960	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9730	0.000	1	114.9730	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6672	1.102	4	114.6672	1.215	4	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,1|P<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.7323	0.380	3	115.7323	0.144	3	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{3|H<1>,5|C<3>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.7820	0.000	1	111.7820	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H){2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|S<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0080	0.000	1	114.0080	0.000	1	114.4013	1.392	658	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H){1|C<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6165	0.296	2	114.6165	0.088	2	114.6165	0.088	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.4603	0.035	3	112.4603	0.001	3	112.5957	0.074	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.0020	0.000	1	113.0020	0.000	1	112.5957	0.074	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:S[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H){2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)(H)2{1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0260	0.000	1	114.0260	0.000	1	114.0260	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	113.4890	0.000	1	113.9865	0.495	2	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,1|P<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.4840	0.000	1	113.9865	0.495	2	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2885	0.146	2	114.3632	0.015	5	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2970	0.000	1	114.3632	0.015	5	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.4710	0.034	2	114.3632	0.015	5	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<9>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.3678	0.748	4	114.3678	0.560	4	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.6750	0.000	1	114.6750	0.000	1	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	113.6860	0.000	1	114.1753	0.197	3	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.2890	0.000	1	114.1753	0.197	3	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.5510	0.000	1	114.1753	0.197	3	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0670	0.000	1	115.0670	0.000	1	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.8830	0.000	1	114.8830	0.000	1	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.0797	0.126	14	115.0797	0.016	14	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.8090	0.000	1	115.2805	0.559	2	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.7520	0.000	1	115.2805	0.559	2	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<4>,4|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.5530	0.372	2	114.4885	0.116	4	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<3>,4|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.4240	0.438	2	114.4885	0.116	4	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.7330	0.578	2	114.7330	0.335	2	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.9330	0.000	1	115.1115	0.064	2	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	115.2900	0.000	1	115.1115	0.064	2	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	114.6110	0.000	1	114.6110	0.000	1	114.7224	0.253	42	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:S[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]C[5,6]S[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[5,5,6]C[5,6,6]C[5,6]S[5,5])	115.7185	0.087	2	115.7185	0.008	2	115.7185	0.008	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.2820	0.366	2	112.3797	0.096	3	112.3797	0.096	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.5750	0.000	1	112.3797	0.096	3	112.3797	0.096	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5930	0.000	1	115.5930	0.000	1	115.5930	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Cl)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Cl)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3580	0.000	1	114.3580	0.000	1	114.3580	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.9340	0.000	1	110.9340	0.000	1	112.9450	8.088	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Se<2>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9560	0.000	1	114.9560	0.000	1	112.9450	8.088	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9170	0.000	1	114.9170	0.000	1	114.9170	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8350	0.000	1	113.8350	0.000	1	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7350	0.000	1	114.7350	0.000	1	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|Cl<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3060	0.000	1	114.3060	0.000	1	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.0000	0.000	1	112.0000	0.000	1	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3870	0.000	1	114.5640	0.063	2	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7410	0.000	1	114.5640	0.063	2	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.4260	0.000	1	115.4260	0.000	1	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1560	0.000	1	114.7290	0.052	8	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9380	0.000	1	114.7290	0.052	8	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6573	0.075	3	114.7290	0.052	8	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5887	0.166	3	114.7290	0.052	8	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8550	0.000	1	114.8550	0.000	1	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3735	0.018	2	115.3735	0.000	2	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9010	0.000	1	114.9010	0.000	1	114.6192	0.558	19	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.2780	0.122	2	112.2780	0.015	2	112.4110	0.060	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.6770	0.000	1	112.6770	0.000	1	112.4110	0.060	3	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	113.1670	0.000	1	113.1670	0.000	1	113.1670	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|S<2>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]N[5,5,6]C[5,5]C[5,6])	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.4250	0.089	8	114.4250	0.008	8	114.5142	0.243	23	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H){2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.5213	0.102	3	114.5213	0.010	3	114.5142	0.243	23	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	115.0130	0.000	1	115.0130	0.000	1	114.5142	0.243	23	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	116.5940	0.000	1	114.5317	0.495	11	114.5142	0.243	23	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	114.3255	0.175	10	114.5317	0.495	11	114.5142	0.243	23	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	114.9190	0.096	3	114.9190	0.009	3	115.0192	0.046	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	115.3200	0.000	1	115.3200	0.000	1	115.0192	0.046	4	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	S[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,5,6]C[5,6]2S[5,5])	C[5,5,6](S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)2(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[5,5,6]C[5,6]2S[5,5])	115.6120	0.023	2	115.6120	0.001	2	115.6120	0.001	2	114.4166	1.297	1181	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	114.7390	0.000	1	114.7390	0.000	1	114.7390	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H)	H(C[5,5,6]C[4x5,6]C[5,6]C[5])	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H){4|H<1>,5|C<4>}	H(C[5,5,6]C[4x5,6]C[5,6]C[5])	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<2>,1|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H){3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	112.8580	0.000	1	112.8580	0.000	1	114.3595	1.148	6	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9565	1.643	2	114.9565	2.698	2	114.3595	1.148	6	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.4620	0.145	3	114.4620	0.021	3	114.3595	1.148	6	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	109.4822	0.298	4	109.4822	0.089	4	109.4822	0.089	4	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.5330	0.000	1	113.5695	0.003	2	113.5695	0.003	2	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6060	0.000	1	113.5695	0.003	2	113.5695	0.003	2	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.8250	0.000	1	112.8250	0.000	1	113.7915	1.868	2	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7580	0.000	1	114.7580	0.000	1	113.7915	1.868	2	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(CN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(CN)(H){1|Br<1>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5730	0.000	1	115.5730	0.000	1	114.7587	0.514	3	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|I<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3515	0.182	2	114.3515	0.033	2	114.7587	0.514	3	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7240	0.000	1	114.6707	0.022	3	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6440	0.199	2	114.6707	0.022	3	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2600	0.000	1	114.2600	0.000	1	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4600	0.309	4	114.4600	0.096	4	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2057	0.263	3	114.2057	0.069	3	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6840	0.000	1	114.1180	0.641	2	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.5520	0.000	1	114.1180	0.641	2	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3960	0.137	2	114.3960	0.019	2	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6050	0.260	2	114.6050	0.068	2	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6340	0.000	1	114.6340	0.000	1	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PtH)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pt<6>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PtH)(OC)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1550	0.000	1	114.1550	0.000	1	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Si<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.0470	0.000	1	113.0470	0.000	1	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.2690	0.000	1	113.2690	0.000	1	114.2891	0.239	21	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7410	0.000	1	113.7410	0.000	1	113.8910	0.045	2	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0410	0.000	1	114.0410	0.000	1	113.8910	0.045	2	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6,6]C[5,6])	112.2370	0.092	2	112.2370	0.008	2	112.2370	0.008	2	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Se-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0210	0.000	1	115.0210	0.000	1	115.0210	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.7800	0.000	1	109.7800	0.000	1	110.0247	0.015	6	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.0610	0.000	1	110.0610	0.000	1	110.0247	0.015	6	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.0768	0.022	4	110.0768	0.000	4	110.0247	0.015	6	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6]-4:	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H)	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	113.0929	4.138	58	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-2:C-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]C[6]H)(CN)2	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]C[6]H)(CN)2{3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	112.5295	2.281	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.2053	0.166	3	111.2053	0.028	3	111.2053	0.028	3	112.5295	2.281	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2210	0.144	2	114.2210	0.021	2	114.2210	0.021	2	112.5295	2.281	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,7|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	111.6065	1.682	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	111.6065	1.682	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.2805	0.083	2	112.2805	0.007	2	112.2805	0.007	2	111.6065	1.682	4	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H){1|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.1510	0.000	1	110.1510	0.000	1	111.5245	3.773	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.8980	0.000	1	112.8980	0.000	1	111.5245	3.773	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	112.3325	0.088	4	112.3325	0.008	4	112.3325	0.008	4	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H){3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.6805	0.342	2	110.6805	0.117	2	110.6805	0.117	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.8200	0.091	2	114.8200	0.008	2	114.8200	0.008	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	113.6995	0.070	2	113.6995	0.005	2	113.6995	0.005	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H){2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<4>,9|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.5660	0.000	1	113.5660	0.000	1	113.8403	0.718	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7910	0.000	1	114.7910	0.000	1	113.8403	0.718	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.1640	0.000	1	113.1640	0.000	1	113.8403	0.718	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:B-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(COO)(H){1|Br<1>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9730	0.000	1	114.9730	0.000	1	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3545	0.500	2	114.3545	0.250	2	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.8675	1.084	8	112.8675	1.174	8	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(COO)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.2105	1.336	2	112.2105	1.784	2	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7980	0.000	1	114.7980	0.000	1	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5335	0.398	4	114.5335	0.158	4	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	117.6260	0.000	1	117.6260	0.000	1	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4190	0.000	1	114.4190	0.000	1	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5687	0.287	4	114.5687	0.082	4	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9710	0.000	1	113.9710	0.000	1	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<4>,1|S<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3050	0.000	1	114.3050	0.000	1	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2405	0.322	2	114.2405	0.104	2	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2220	0.021	2	114.2220	0.000	2	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|Pd<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2630	0.051	2	114.2630	0.003	2	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Pd<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.0220	0.000	1	115.0220	0.000	1	114.0316	1.462	33	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5720	0.000	1	114.5275	0.004	2	114.6257	0.031	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4830	0.000	1	114.5275	0.004	2	114.6257	0.031	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8220	0.000	1	114.8220	0.000	1	114.6257	0.031	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5530	0.199	2	114.5530	0.040	2	114.3356	1.198	9	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.5400	0.000	1	111.5400	0.000	1	114.3356	1.198	9	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6830	0.000	1	114.6830	0.000	1	114.3356	1.198	9	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5750	0.000	1	114.5750	0.000	1	114.3356	1.198	9	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3710	0.000	1	114.3710	0.000	1	114.3356	1.198	9	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3690	0.000	1	114.3690	0.000	1	114.3356	1.198	9	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1880	0.052	2	115.1880	0.003	2	114.3356	1.198	9	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9800	0.000	1	114.2860	0.187	2	114.2860	0.187	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.5920	0.000	1	114.2860	0.187	2	114.2860	0.187	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.1290	4.141	2	112.1290	17.146	2	113.0193	10.951	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8000	0.000	1	114.8000	0.000	1	113.0193	10.951	3	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Se-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	108.4930	0.000	1	108.4930	0.000	1	109.5610	2.281	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.6290	0.000	1	110.6290	0.000	1	109.5610	2.281	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	111.1720	0.135	4	111.1720	0.018	4	111.1720	0.018	4	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,4,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7490	0.000	1	114.7490	0.000	1	114.7490	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S[5,6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6]C)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6]C)(H){1|O<1>,6|C<4>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8270	0.061	2	113.8270	0.004	2	113.8270	0.004	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3030	0.000	1	114.3030	0.000	1	114.5270	0.100	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7510	0.000	1	114.7510	0.000	1	114.5270	0.100	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8760	0.000	1	114.8760	0.000	1	114.4622	0.238	8	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8270	0.025	2	113.8270	0.001	2	114.4622	0.238	8	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3550	0.000	1	114.3550	0.000	1	114.4622	0.238	8	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4170	0.000	1	114.4170	0.000	1	114.4622	0.238	8	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4030	0.000	1	114.4030	0.000	1	114.4622	0.238	8	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7730	0.000	1	114.7730	0.000	1	114.4622	0.238	8	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2200	0.000	1	115.2200	0.000	1	114.4622	0.238	8	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2970	0.042	2	114.2970	0.002	2	114.2970	0.002	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.3200	0.000	1	109.3200	0.000	1	111.0255	5.817	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H){1|S<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.7310	0.000	1	112.7310	0.000	1	111.0255	5.817	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.4630	0.000	2	110.4630	0.000	2	110.4630	0.000	2	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,6]2N[5,5])	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	H(C[5,5,6]C[5,6]2N[5,5])	117.1070	0.000	1	117.1070	0.000	1	117.1070	0.000	1	113.4465	3.071	104	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2290	0.000	1	114.2290	0.000	1	114.5400	0.193	2	114.5400	0.193	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8510	0.000	1	114.8510	0.000	1	114.5400	0.193	2	114.5400	0.193	2	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8080	0.000	1	114.8080	0.000	1	114.8080	0.000	1	114.7853	13.266	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5940	8.751	2	114.8794	19.826	5	114.7815	15.918	6	114.7853	13.266	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4030	0.714	3	114.8794	19.826	5	114.7815	15.918	6	114.7853	13.266	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(COO)(NCH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(COO)(NCH){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2920	0.000	1	114.2920	0.000	1	114.7815	15.918	6	114.7853	13.266	7	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	109.6020	3.009	2	109.6020	9.057	2	109.6020	9.057	2	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.4485	0.022	2	111.5143	0.564	6	111.3494	0.661	7	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.5472	0.968	4	111.5143	0.564	6	111.3494	0.661	7	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	110.3600	0.000	1	110.3600	0.000	1	111.3494	0.661	7	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H){1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.2600	0.000	1	110.5230	1.086	2	110.5230	1.086	2	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.7860	0.000	1	110.5230	1.086	2	110.5230	1.086	2	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	110.8062	1.807	13	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6]-4:C[3x5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	H(C[5,5,6]C[3,5,6]C[3x5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3,5,6]C[3x5]C[5,6])	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	108.5555	0.944	2	108.8730	2.306	6	109.0183	2.069	7	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.0318	1.856	4	108.8730	2.306	6	109.0183	2.069	7	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.8900	0.000	1	109.8900	0.000	1	109.0183	2.069	7	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6]C[5])	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){1|C<4>,2|O<2>,4|C<3>}	H(C[5,5,6]C[5,5,6]C[3x5]C[5,6])	111.5460	0.144	2	111.5460	0.021	2	111.5460	0.021	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H)	H(C[5,5,6]C[5,5,6]2C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6])	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	112.9405	0.349	2	112.9405	0.122	2	112.9405	0.122	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H)	H(C[5,5,6]C[5,5,6]C[5,6]2)	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|Se<2>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]2)	112.7940	0.000	1	112.7940	0.000	1	112.7940	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H){1|C<4>,1|I<1>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7340	0.000	1	114.7340	0.000	1	114.2665	0.437	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.7990	0.000	1	113.7990	0.000	1	114.2665	0.437	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1575	0.530	2	114.1575	0.281	2	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4940	0.000	1	114.4940	0.000	1	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H){1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.5270	0.000	1	112.5270	0.000	1	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H){1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.4540	0.011	2	112.4540	0.000	2	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H){1|Br<1>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3770	0.488	2	114.3770	0.238	2	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1950	0.000	1	114.1950	0.000	1	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.3690	0.000	1	114.3690	0.000	1	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4193	0.495	3	114.4193	0.245	3	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.5660	0.000	1	115.5660	0.000	1	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	119.0620	0.000	1	119.0620	0.000	1	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.9625	0.415	4	114.9625	0.172	4	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.4620	0.000	1	114.5855	0.143	4	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<5>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6267	0.453	3	114.5855	0.143	4	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<3>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9810	0.000	1	114.2150	0.043	4	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2930	0.168	3	114.2150	0.043	4	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0707	0.088	3	114.0707	0.008	3	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2595	0.295	2	114.2595	0.087	2	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|Pd<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2890	0.083	2	114.2890	0.007	2	114.4061	1.166	34	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6820	0.000	1	114.6820	0.000	1	113.6236	2.471	5	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.8130	0.000	2	114.8130	0.000	2	113.6236	2.471	5	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.9050	0.167	2	111.9050	0.028	2	113.6236	2.471	5	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.2640	0.000	1	114.2640	0.000	1	114.5263	0.136	3	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.6575	0.411	2	114.6575	0.169	2	114.5263	0.136	3	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.3370	0.000	1	112.3370	0.000	1	111.4610	1.535	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.5850	0.000	1	110.5850	0.000	1	111.4610	1.535	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.6885	0.103	4	110.6885	0.011	4	110.6885	0.011	4	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.6560	0.000	2	109.6560	0.000	2	109.6560	0.000	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.4620	0.000	1	111.4620	0.000	1	110.7685	0.962	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	110.0750	0.000	1	110.0750	0.000	1	110.7685	0.962	2	112.9764	4.875	73	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.9000	0.000	1	113.9000	0.000	1	113.8930	0.000	2	111.8203	5.381	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8860	0.000	1	113.8860	0.000	1	113.8930	0.000	2	111.8203	5.381	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	112.8680	0.000	1	112.0140	1.459	2	112.0140	1.459	2	111.8203	5.381	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.1600	0.000	1	112.0140	1.459	2	112.0140	1.459	2	111.8203	5.381	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	107.7500	0.000	1	109.5540	6.509	2	109.5540	6.509	2	111.8203	5.381	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.3580	0.000	1	109.5540	6.509	2	109.5540	6.509	2	111.8203	5.381	6	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H){1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1000	0.262	2	114.1000	0.068	2	114.1000	0.068	2	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8545	0.145	2	113.8545	0.021	2	113.4423	0.549	34	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.1267	0.699	22	113.1267	0.489	22	113.4423	0.549	34	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0800	0.500	7	114.0800	0.250	7	113.4423	0.549	34	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]H)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.0290	0.000	1	114.0290	0.000	1	113.4423	0.549	34	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.8520	0.000	1	113.9760	0.031	2	113.4423	0.549	34	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{4|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	114.1000	0.000	1	113.9760	0.031	2	113.4423	0.549	34	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:N-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH)	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH){1|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	111.4420	0.000	1	111.4420	0.000	1	111.4420	0.000	1	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.4550	0.000	1	113.4550	0.000	1	112.4917	5.051	4	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	113.6935	0.032	2	113.6935	0.001	2	112.4917	5.051	4	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|P<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	109.1250	0.000	1	109.1250	0.000	1	112.4917	5.051	4	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	N[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,5,6]-4:	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH)	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH){4|H<1>,5|C<4>}	H(C[5,5,6]C[5,5]C[5,6]N[5,6])	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	113.1920	1.440	44	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	5:4:4:1:	4:4:1:1:	4:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2700	0.000	1	115.2700	0.000	1	115.2990	0.002	3	115.2990	0.002	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	5:4:4:1:	4:4:1:1:	4:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,1|O<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.2810	0.000	1	115.3135	0.002	2	115.2990	0.002	3	115.2990	0.002	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5,6]	H	5:4:4:1:	4:4:1:1:	4:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5]C[5,6]2)	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<4>,1|O<3>,4|H<1>}	H(C[5,5,6]C[5,5]C[5,6]2)	115.3460	0.000	1	115.3135	0.002	2	115.2990	0.002	3	115.2990	0.002	3	114.1390	3.318	2819	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	113.6450	0.000	1	113.6450	0.000	1	113.6450	0.000	1	113.6450	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	112.0650	0.033	2	112.0650	0.001	2	112.0984	0.092	5	112.0984	0.092	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	111.6840	0.000	1	111.6840	0.000	1	112.0984	0.092	5	112.0984	0.092	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	112.1420	0.000	1	112.3390	0.078	2	112.0984	0.092	5	112.0984	0.092	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	112.5360	0.000	1	112.3390	0.078	2	112.0984	0.092	5	112.0984	0.092	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.3690	0.000	1	112.3690	0.000	1	112.3690	0.000	1	112.3690	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	113.1683	1.626	3	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,5,6]C[5,6,6]N[5,5,6]C[5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6]N[5,5,6]C[5])	113.5755	1.503	2	113.5755	2.258	2	113.5755	2.258	2	113.1683	1.626	3	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[3x5,6]-4:C[5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5]-2:N[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H)	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]O[5,6]C[5])	113.5190	0.000	1	113.5190	0.000	1	113.5190	0.000	1	113.5190	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1150	0.000	1	110.1150	0.000	1	109.6707	0.161	3	109.6707	0.161	3	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4485	0.159	2	109.4485	0.025	2	109.6707	0.161	3	109.6707	0.161	3	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.1693	0.176	4	111.1693	0.031	4	111.5414	0.180	8	111.5414	0.180	8	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9135	0.138	4	111.9135	0.019	4	111.5414	0.180	8	111.5414	0.180	8	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H)	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5,5]H)(C[5]N[5,5]CC)(H){4|C<4>,4|H<1>}	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{3|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	107.6865	0.285	2	107.6865	0.081	2	107.9385	0.124	4	107.9385	0.124	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H)	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]CC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	108.1905	0.190	2	108.1905	0.036	2	107.9385	0.124	4	107.9385	0.124	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2{1|H<1>,1|P<4>,5|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.6830	2.043	7	110.6830	4.175	7	110.6830	4.175	7	111.0988	3.430	10	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	111.0988	3.430	10	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.6145	0.029	2	112.6145	0.001	2	112.6145	0.001	2	111.0988	3.430	10	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6780	0.000	1	110.6780	0.000	1	109.5348	1.341	4	108.8304	3.486	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.6865	0.759	2	109.1537	1.140	3	109.5348	1.341	4	108.8304	3.486	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<1>,2|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.0880	0.000	1	109.1537	1.140	3	109.5348	1.341	4	108.8304	3.486	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H)	H(C[5,5,6]C[5,5,6]P[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]P[5,5,6]C[5])	106.0130	0.000	1	106.0130	0.000	1	106.0130	0.000	1	108.8304	3.486	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H){3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1330	0.000	1	110.1330	0.000	1	110.0457	0.017	3	110.0457	0.017	3	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1100	0.000	1	110.1100	0.000	1	110.0457	0.017	3	110.0457	0.017	3	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H){2|Cl<1>,1|C<3>,1|O<1>,2|O<2>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	109.8940	0.000	1	109.8940	0.000	1	110.0457	0.017	3	110.0457	0.017	3	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[4,5,5,6])(CH3)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H){1|Br<1>,1|C<4>,3|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[4,5,5,6])(CH3)2{1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.0760	0.000	1	110.0760	0.000	1	110.9435	1.505	2	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.8110	0.000	1	111.8110	0.000	1	110.9435	1.505	2	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.4275	1.141	2	111.4275	1.301	2	111.4015	0.447	4	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.3755	0.196	2	111.3755	0.038	2	111.4015	0.447	4	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.4340	0.000	1	109.4340	0.000	1	110.7564	0.930	7	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.4850	0.000	1	111.4850	0.000	1	110.7564	0.930	7	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	112.1250	0.000	1	112.1250	0.000	1	110.7564	0.930	7	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7070	0.000	1	110.7070	0.000	1	110.7564	0.930	7	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){4|Cl<1>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6270	0.000	1	110.6270	0.000	1	110.7564	0.930	7	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.6740	0.000	1	109.6740	0.000	1	110.7564	0.930	7	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5,6]O)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.2430	0.000	1	111.2430	0.000	1	110.7564	0.930	7	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0600	0.041	2	110.0600	0.002	2	110.1707	0.746	4	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	109.2360	0.000	1	109.2360	0.000	1	110.1707	0.746	4	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.3270	0.000	1	111.3270	0.000	1	110.1707	0.746	4	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	113.1070	1.969	2	113.1070	3.875	2	113.1070	3.875	2	110.9892	1.476	20	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	110.3749	0.458	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2545	0.159	2	110.2545	0.025	2	110.4515	0.500	6	110.3749	0.458	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1083	0.094	3	110.1083	0.009	3	110.4515	0.500	6	110.3749	0.458	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	111.8750	0.000	1	111.8750	0.000	1	110.4515	0.500	6	110.3749	0.458	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	111.3820	1.353	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H){2|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1210	0.000	1	110.1210	0.000	1	111.2605	2.597	2	111.3820	1.353	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	112.4000	0.000	1	112.4000	0.000	1	111.2605	2.597	2	111.3820	1.353	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]2C[5])	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	111.3820	1.353	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H)	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H){3|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.1805	0.035	2	111.1805	0.001	2	111.1805	0.001	2	110.5503	0.200	9	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	109.8590	0.000	1	109.8590	0.000	1	110.3703	0.096	7	110.5503	0.200	9	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.0600	0.000	1	110.3790	0.077	3	110.3703	0.096	7	110.5503	0.200	9	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5385	0.028	2	110.3790	0.077	3	110.3703	0.096	7	110.5503	0.200	9	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H){3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.7000	0.000	1	110.7000	0.000	1	110.3703	0.096	7	110.5503	0.200	9	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.5900	0.000	1	110.5900	0.000	1	110.3703	0.096	7	110.5503	0.200	9	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.3060	0.000	1	110.3060	0.000	1	110.3703	0.096	7	110.5503	0.200	9	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5,6]-4:C[5,5,3x6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2	H(C[5,5,6]C[3,5,5,6]C[5,5,3x6]C[5])	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,5,6]C[3,5,5,6]C[5,5,3x6]C[5])	110.2150	0.361	2	110.2150	0.130	2	110.2150	0.130	2	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.1095	0.368	2	111.1095	0.136	2	108.9842	5.262	5	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	109.5310	0.000	1	109.5310	0.000	1	108.9842	5.262	5	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,6|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	106.5855	0.265	2	106.5855	0.070	2	108.9842	5.262	5	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[5,5]O[5]2)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[5,5]O[5]2)(H)2{1|H<1>,1|O<2>,7|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.8645	6.424	2	111.8645	41.269	2	111.0680	8.768	6	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H){1|C<4>,9|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.3730	0.000	1	110.3730	0.000	1	111.0680	8.768	6	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	110.1660	0.000	1	110.1660	0.000	1	111.0680	8.768	6	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.0700	0.081	2	111.0700	0.006	2	111.0680	8.768	6	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5,6]C[4x5,6]C[5,6]C[5])	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[4x5,6]C[5,6]C[5])	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[3x5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[3x5,6]C[5])	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,5,6]C[5,5,6,6]C[5,6]C[5])	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6]C[5])	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,5,6]C[5])	111.2500	0.133	2	111.2500	0.018	2	111.2500	0.018	2	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[3,5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2{2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	108.9380	0.000	2	108.9380	0.000	2	109.7341	0.796	8	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]PdH)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|Pd<5>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]PdH)(H)2{3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.7017	0.223	3	109.7017	0.050	3	109.7341	0.796	8	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7700	0.000	1	111.7700	0.000	1	109.7341	0.796	8	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.5610	0.000	2	109.5610	0.000	2	109.7341	0.796	8	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2{1|C<3>,2|O<2>,7|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.1835	0.269	4	111.1835	0.072	4	111.1835	0.072	4	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.7190	0.023	2	111.6050	0.039	3	111.6050	0.039	3	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	111.3770	0.000	1	111.6050	0.039	3	111.6050	0.039	3	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	112.4007	0.306	3	112.4007	0.093	3	112.4007	0.093	3	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	111.7440	0.000	1	111.7440	0.000	1	111.5510	0.074	2	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,1|S<2>,2|H<1>,3|C<4>}	H(C[5,5,6]N[3x5,6]C[5,6]C[5])	111.3580	0.000	1	111.3580	0.000	1	111.5510	0.074	2	110.5328	3.438	41	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H)	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H){1|C<4>,1|N<2>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H){1|N<2>,3|C<4>,4|H<1>}	H(C[5,5,6]C[3x5,6]C[5,6]C[5])	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	109.5778	1.662	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H)	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,5,6]C[3x5,6]C[5,6,6]C[5])	109.0113	0.277	4	109.0113	0.076	4	109.0113	0.076	4	109.5778	1.662	5	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H)	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	111.5839	0.425	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(CNO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(CNO)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.4010	0.004	2	111.4010	0.000	2	111.5267	0.482	6	111.5839	0.425	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.5060	0.000	1	111.5895	0.788	4	111.5267	0.482	6	111.5839	0.425	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	111.6173	1.085	3	111.5895	0.788	4	111.5267	0.482	6	111.5839	0.425	7	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H){2|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5,6]C[5,5,6]2C[5])	111.7490	0.000	1	111.7490	0.000	1	111.7490	0.000	1	110.1220	1.608	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:S[5]-4:C-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	109.1235	0.211	2	109.1235	0.045	2	109.1235	0.045	2	110.1220	1.608	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(SN[6]OO)(H)	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(SN[6]OO)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6]C[5])	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	110.1220	1.608	4	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(CHHN)(COO)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(CHHN)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.7289	2.547	146	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[3x5,6,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H)	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	H(C[5,5]C[3x5,6,6]C[5]2)	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,5]C[3x5,6,6]C[5]2)	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6,6]2H)	112.8560	0.008	2	112.8560	0.000	2	112.8309	0.001	7	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,5x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6,6]H)(C[5,5]C[3x5,6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6,6]2H)	112.7940	0.000	1	112.7940	0.000	1	112.8309	0.001	7	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,3x6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5,6]H)(C[5,5]C[3x5,6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6,6]2H)	112.8555	0.016	2	112.8555	0.000	2	112.8309	0.001	7	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5]C[3x5,6,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6,6]2H)	112.7995	0.023	2	112.7995	0.001	2	112.8309	0.001	7	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2{5|H<1>,6|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5]C[3x5,6,6]2H)	113.0555	1.221	2	113.0555	1.491	2	113.4137	4.921	10	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{3|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){4|C<4>,7|H<1>}	H(C[5,5]C[3x5,6,6]2H)	113.4115	3.142	2	113.4115	9.870	2	113.4137	4.921	10	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{3|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5]C[3x5,6,6]2H)	113.8420	4.605	2	113.5338	6.518	6	113.4137	4.921	10	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){2|C<4>,6|H<1>}	H(C[5,5]C[3x5,6,6]2H)	112.6855	1.836	2	113.5338	6.518	6	113.4137	4.921	10	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5]C[3x5,6,6]2H)	114.0740	2.408	2	113.5338	6.518	6	113.4137	4.921	10	113.1737	2.856	17	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[3x5,3x6]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2{5|H<1>,6|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH){6|C<4>,8|H<1>}	H(C[5,5]C[3x5,6,6]2H)	111.2615	0.012	2	111.2615	0.000	2	111.2615	0.000	2	111.2615	0.000	2	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H)	H(C[5,5]C[3x5,6,6]2C)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[3x5]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[3x5,6,6]2C)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH)	H(C[5,5]C[3x5,6,6]2C)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6,6]2C)	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	112.3418	5.491	22	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:2:2:1:	4:4:4:4:	4:	C[3x5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH)	H(C[5,5]C[3x5,6]O[5]2)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H){4|H<1>,7|C<4>}	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH){1|O<2>,4|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]O[5]2)	110.9085	0.183	4	110.9085	0.033	4	110.9085	0.033	4	110.9085	0.033	4	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:2:3:1:	4:4:4:4:	4:	C[3x5,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)	H(C[5,5]C[3x5,6]C[5]O[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(H){4|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]C[5]O[5])	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H)	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2	H(C[5,5]C[3x5,6]C[5,6a]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2{2|Br<1>,2|H<1>,7|C<3>}	H(C[5,5]C[3x5,6]C[5,6a]2)	112.3190	0.895	2	112.3190	0.801	2	112.3190	0.801	2	112.6657	0.761	3	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]O[5]O)(N[5]O[5]C)(H)	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]O[5]O)(N[5]O[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[3x5,6]C[5]N[5])	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	112.6657	0.761	3	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:3:4:1:	4:4:2:3:	4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:C[5,6]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,5]C[3x5,6]N[5,5]C[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]N[5,5]C[5])	110.5350	0.358	2	110.5350	0.128	2	110.5350	0.128	2	110.5350	0.128	2	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O[5,5]-2:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	H(C[5,5]C[3x5,6]N[5,5]C[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,5]C[3x5,6]N[5,5]C[5])	109.5080	0.157	4	109.5080	0.025	4	109.5080	0.025	4	109.5080	0.025	4	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.2835	0.025	2	113.3038	0.001	4	113.3038	0.001	4	113.3038	0.001	4	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,7|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.3240	0.006	2	113.3038	0.001	4	113.3038	0.001	4	113.3038	0.001	4	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,5,6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2{4|C<4>,5|H<1>}	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7663	2.075	3	112.7663	4.305	3	112.7663	4.305	3	112.7663	4.305	3	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2	C[3x5,6](C[3,5,5,6]C[3,3x5,6]C[3,5,5,6]H)2(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2{2|C<4>,4|H<1>}	C[3x5,6](C[3,5,5,6]C[3,3x5,6]C[3,5,5,6]H)2(C[5,5]C[3x5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.4070	1.233	4	112.4070	1.520	4	112.7644	0.314	18	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2{2|C<4>,4|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|I<1>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.8666	0.099	14	112.8666	0.010	14	112.7644	0.314	18	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7030	0.000	1	112.7070	0.000	10	112.7070	0.000	10	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7080	0.013	5	112.7070	0.000	10	112.7070	0.000	10	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7067	0.019	4	112.7070	0.000	10	112.7070	0.000	10	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6995	0.024	4	112.7018	0.000	6	112.7018	0.000	6	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7190	0.000	1	112.7018	0.000	6	112.7018	0.000	6	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6940	0.000	1	112.7018	0.000	6	112.7018	0.000	6	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6600	0.075	3	112.6600	0.006	3	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6898	0.017	4	112.6898	0.000	4	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7220	0.034	2	112.7220	0.001	2	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6810	0.013	2	112.6990	0.001	6	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7420	0.000	1	112.6990	0.001	6	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6967	0.011	3	112.6990	0.001	6	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6925	0.009	2	112.6925	0.000	2	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6465	0.018	2	112.6904	0.002	5	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7305	0.011	2	112.6904	0.002	5	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6980	0.000	1	112.6904	0.002	5	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6590	0.016	2	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6975	0.026	6	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7170	0.017	2	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6374	0.057	16	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6633	0.041	14	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6833	0.018	4	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.7403	0.143	14	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,6|H<1>}	H(C[5,5]C[3x5,6]2H)	110.6580	1.942	2	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]2H)	114.5220	2.478	2	112.6755	0.415	62	112.6797	0.305	84	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.5590	0.000	1	112.5715	0.000	2	112.5715	0.000	2	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[3x5,6]2H)	112.5840	0.000	1	112.5715	0.000	2	112.5715	0.000	2	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)2(H)2	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[5,5,6]2H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	112.6680	0.025	4	112.6680	0.001	4	112.6680	0.001	4	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|N<2>,2|C<4>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|N<2>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8665	0.012	2	112.8665	0.000	2	112.8665	0.000	2	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7250	0.017	2	112.7250	0.000	2	112.7250	0.000	2	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Br<1>,1|O<1>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.2285	1.875	2	112.3383	1.793	3	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.5580	0.000	1	112.3383	1.793	3	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.0690	0.095	2	113.0143	0.496	4	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.9595	1.211	2	113.0143	0.496	4	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8010	0.004	2	112.8010	0.000	2	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7230	0.016	2	112.7567	0.001	6	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Se<2>,1|C<3>,1|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|Se<2>,1|O<1>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7895	0.039	2	112.7567	0.001	6	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|O<2>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7575	0.013	2	112.7567	0.001	6	112.7476	0.420	15	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.1765	0.032	2	113.1765	0.001	2	113.1765	0.001	2	112.7083	0.259	145	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7795	0.087	2	112.7795	0.008	2	112.7795	0.008	2	112.7795	0.008	2	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]C[5,5,6]HH)(CCCH)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]C[5,5,6]HH)(CCCH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.5935	0.019	4	112.5935	0.000	4	112.5935	0.000	4	112.4116	1.769	20	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.9010	0.037	2	112.9010	0.001	2	112.9010	0.001	2	112.4116	1.769	20	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3)	H(C[5,5]C[3x5,6]P[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	H(C[5,5]C[3x5,6]P[5,5,6]H)	112.7927	2.511	4	112.2896	2.523	14	112.2896	2.523	14	112.4116	1.769	20	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3)	H(C[5,5]C[3x5,6]P[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3){1|C<4>,1|S<1>,5|H<1>}	H(C[5,5]C[3x5,6]P[5,5,6]H)	112.0884	1.177	10	112.2896	2.523	14	112.2896	2.523	14	112.4116	1.769	20	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	6:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	B[4x3,4,6x5,21x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5]-4:	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<5>,3|B<6>,4|H<1>}	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,1|S<2>,5|B<6>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8512	0.054	6	112.8353	0.003	10	112.8353	0.003	10	112.8714	0.010	22	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	6:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	B[4x3,4,6x5,21x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5]-4:	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<5>,3|B<6>,4|H<1>}	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|Co<5>,1|C<3>,1|S<2>,5|B<6>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8115	0.054	4	112.8353	0.003	10	112.8353	0.003	10	112.8714	0.010	22	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	6:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	B[5x3,6x5,20x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5]-4:	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<6>,3|B<6>,4|H<1>}	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,5|B<6>,7|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.0015	0.171	4	112.9015	0.014	12	112.9015	0.014	12	112.8714	0.010	22	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:1:1:	6:4:4:3:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	B[5x3,6x5,20x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5]-4:	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<6>,3|B<6>,4|H<1>}	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|Co<7>,1|C<3>,1|S<2>,5|B<6>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8515	0.036	8	112.9015	0.014	12	112.9015	0.014	12	112.8714	0.010	22	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	H(C[5,5]C[3x5,6]C[5]O[5])	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,5]C[3x5,6]C[5]O[5])	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3x5,6]-4:O-2:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H)	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H)	H(C[5,5]C[3x5,6]2O)	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H){4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H){4|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]2O)	113.4785	1.613	2	113.4785	2.601	2	113.4785	2.601	2	112.8523	2.477	3	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5]-4:N[5]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H){3|C<4>,3|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[3x5,6]C[5]N[5])	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	112.8523	2.477	3	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[3x5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C[5,5]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2)	H(C[5,5]C[3x5,6]C[5]O[5])	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>,5|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,8|H<1>}	H(C[5,5]C[3x5,6]C[5]O[5])	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[3,5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH)	H(C[5,5]C[3x5,6]C[3,5]O[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H){4|H<1>,6|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	H(C[5,5]C[3x5,6]C[3,5]O[5])	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	109.6193	0.518	6	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H)	C[3x5,6](C[3x5,6,6]C[5,5,6,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5]C[5,5,6]HO)(CH3)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H){2|C<3>,4|C<4>}	C[3x5,6](C[3x5,6,6]C[5,5,6,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5]C[5,5,6]HO)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	109.6193	0.518	6	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H){1|O<2>,3|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH){3|H<1>,4|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	109.3143	0.209	4	109.3143	0.044	4	109.3143	0.044	4	109.6193	0.518	6	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:N-3:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H)	H(C[5,5]C[3x5,6]C[5,5,6]N)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H){2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H){7|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]N)	111.4370	0.000	1	111.4370	0.000	1	111.4370	0.000	1	110.8390	0.715	2	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5]N[5]H)(H){1|O<1>,3|C<3>,5|H<1>}	H(C[5,5]C[3x5,6]C[5]N[5])	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	110.8390	0.715	2	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|S<4>}	H(C[5,5]C[3x5,6]C[5]N[5])	111.8010	0.000	1	111.8010	0.000	1	111.8010	0.000	1	111.8010	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	3:3:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6,6a]-3:C[5,6a]-3:N[5,5,6]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH)	H(C[5,5]C[3x5,6]C[5,5,6]C)	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[3x5,6]C[5,5,6]C)	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	4:3:4:2:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,6]-3:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6])	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<2>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,8|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2)	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2){11|H<1>,1|C<4>,2|O<1>}	H(C[5,5]C[3x5,6]C[5]2)	110.5435	0.084	2	110.5435	0.007	2	110.5435	0.007	2	110.5435	0.007	2	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[3,5]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH)	H(C[5,5]C[3x5,6]C[3,5]C[5,5])	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H){1|O<2>,4|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	H(C[5,5]C[3x5,6]C[3,5]C[5,5])	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	110.3802	1.027	9	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH)	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<4>,2|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH){1|O<2>,4|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	110.9588	0.122	4	110.9588	0.015	4	110.9588	0.015	4	110.3802	1.027	9	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2{1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	108.8740	0.057	2	108.8740	0.003	2	109.4765	0.625	4	110.3802	1.027	9	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,7|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2{11|H<1>,1|C<4>,1|O<2>,2|O<1>}	H(C[5,5]C[3x5,6]C[5]2)	110.5370	0.000	1	110.5370	0.000	1	109.4765	0.625	4	110.3802	1.027	9	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2{11|H<1>,1|C<4>,1|O<2>,2|O<1>}	H(C[5,5]C[3x5,6]C[5]2)	109.6210	0.000	1	109.6210	0.000	1	109.4765	0.625	4	110.3802	1.027	9	112.3558	1.222	239	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){3|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H){6|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	114.7125	0.859	20	114.7125	0.738	20	114.7125	0.738	20	114.7125	0.738	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[3x5](C[5,5]C[5,6a]2H)3(H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(H){6|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.0150	3.396	3	110.0150	11.532	3	110.0150	11.532	3	110.0150	11.532	3	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:3:4:1:	4:4:4:2:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN){1|C<2>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){1|O<1>,2|H<1>,7|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3){6|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.1280	0.209	2	110.1280	0.044	2	110.4874	3.921	20	110.4874	3.921	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	109.9495	2.396	8	110.5273	4.362	18	110.4874	3.921	20	110.4874	3.921	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|H<1>,8|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	112.6327	0.013	3	110.5273	4.362	18	110.4874	3.921	20	110.4874	3.921	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.2854	1.713	7	110.5273	4.362	18	110.4874	3.921	20	110.4874	3.921	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:2:1:	4:3:4:3:	4:	C[5,6a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H)	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O)	H(C[5,5]C[5,6a]C[3x5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O){5|C<3>}	H(C[5,5]C[5,6a]C[3x5]O[5])	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:2:1:	4:4:4:4:	4:	C[5,5a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H)	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH)	H(C[5,5]C[5,5a]C[3x5]O[5])	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H){1|S<4>,5|C<3>,6|H<1>}	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH){2|H<1>,2|N<3>,4|C<3>}	H(C[5,5]C[5,5a]C[3x5]O[5])	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:3:1:	4:4:4:2:	4:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN){1|C<2>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.4160	0.000	1	111.4160	0.000	1	111.4855	0.010	2	111.4855	0.010	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:3:1:	4:4:4:2:	4:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN){1|C<2>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.5550	0.000	1	111.5550	0.000	1	111.4855	0.010	2	111.4855	0.010	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:3:1:	4:4:4:3:	4:	C[5,6a]-3:C[3x5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO)	H(C[5,5]C[5,6a]C[3x5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,5]C[5,6a]C[3x5]N[5])	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:4:1:	4:4:3:2:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H)	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H){2|H<1>,9|C<3>}	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){1|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	109.9720	0.000	1	109.9720	0.000	1	110.1835	0.089	2	110.1835	0.089	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	3:4:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H){1|H<1>,2|O<2>,6|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O){1|O<2>,5|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	110.3950	0.000	1	110.3950	0.000	1	110.1835	0.089	2	110.1835	0.089	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:2:2:1:	3:4:4:4:	4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H)	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)	H(C[5,5]C[3x5]O[5]2)	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H){1|O<1>,3|C<3>,5|H<1>}	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<1>}	H(C[5,5]C[3x5]O[5]2)	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:2:2:1:	4:4:4:2:	4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H)	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH)	H(C[5,5]C[3x5]O[5]2)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5]O[5]2)	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:2:2:1:	4:4:4:4:	4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	H(C[5,5]C[3x5]O[5]2)	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5]O[5]2)	110.9260	0.000	1	111.0385	0.025	2	111.0385	0.025	2	111.0385	0.025	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:2:2:1:	4:4:4:4:	4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	H(C[5,5]C[3x5]O[5]2)	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[3x5]O[5]2)	111.1510	0.000	1	111.0385	0.025	2	111.0385	0.025	2	111.0385	0.025	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:2:4:1:	3:4:4:4:	4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	110.5275	0.013	2	110.5275	0.000	2	110.6693	0.060	3	110.6693	0.060	3	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:2:4:1:	3:4:4:4:	4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	110.9530	0.000	1	110.9530	0.000	1	110.6693	0.060	3	110.6693	0.060	3	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:2:1:	3:4:4:4:	4:	C[3x5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[6a]C[5]2)(C[5,5]N[5]O[5]H)(C[5]O[5]HH)	H(C[5,5]C[3x5]N[5]O[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[6a]C[5]2)(C[5,5]N[5]O[5]H)(C[5]O[5]HH){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	H(C[5,5]C[3x5]N[5]O[5])	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:2:1:	4:3:4:2:	4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5])	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5]){1|C<4>,1|O<1>,6|C<3>}	H(C[5,5]C[3x5]C[5]O[5])	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:2:1:	4:4:3:2:	4:	C[3x5]-4:C[5,5a]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H)	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5])	H(C[5,5]C[5,5a]C[3x5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5a]C[3x5]O[5])	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:2:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[3,5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]O)(O[5]C[5])(H)	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]O)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3){1|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	112.3085	0.726	2	112.3085	0.527	2	112.3085	0.527	2	111.6505	0.753	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:2:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	110.9925	0.016	2	110.9925	0.000	2	110.9925	0.000	2	111.6505	0.753	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	3:3:4:4:	4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[3x5]N[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5]N[5]2)	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	3:4:3:4:	4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	H(C[5,5]C[3x5]N[5,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5,5]C[3x5]N[5,5]N[5])	110.6290	0.044	2	110.5830	0.007	3	110.5830	0.007	3	110.5830	0.007	3	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	3:4:3:4:	4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	H(C[5,5]C[3x5]N[5,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[5,5]C[3x5]N[5,5]N[5])	110.4910	0.000	1	110.5830	0.007	3	110.5830	0.007	3	110.5830	0.007	3	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	3:4:4:4:	4:	C[3x5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H){1|N<3>,4|C<3>,4|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	110.4393	0.299	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	3:4:4:4:	4:	C[3x5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	H(C[5,5]C[5,6a]C[3x5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H){1|O<2>,4|H<1>,5|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]N[5])	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.4393	0.299	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	3:4:4:4:	4:	C[3x5]-4:N[3,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH)	H(C[5,5]C[3x5]N[3,5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5]N[3,5]N[5])	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	110.4393	0.299	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	3:4:4:4:	4:	C[3x5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]N[5])	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	110.4393	0.299	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	4:3:4:4:	4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H)	C[3x5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[3x5]N[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3x5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[5,5]C[3x5]N[5]2)	111.4850	0.000	1	111.4850	0.000	1	111.4850	0.000	1	111.4850	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:3:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,5]C[3x5]C[5]2)	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:4:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-3:C[5]-4:H-1:	C[5,6]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H)	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<1>}	H(C[5,5]C[3x5]C[5]2)	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:4:1:	4:3:4:1:	4:	C[3x5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.3350	0.163	2	111.3350	0.026	2	111.3350	0.026	2	111.3350	0.026	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:3:4:1:	4:4:3:2:	4:	C[3x5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	H(C[5,5]C[5,6a]C[3x5]C[5,5])	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){1|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5,5])	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5]-4:C[3,5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:O[5,5]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2{1|C<3>,3|H<1>}	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H){2|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.7195	0.008	2	112.7195	0.000	2	112.7195	0.000	2	112.7195	0.000	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2{1|C<3>,1|O<2>,2|C<6>,3|B<6>,4|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H){1|B<6>,2|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.1100	0.052	2	112.1100	0.003	2	112.1807	1.880	20	112.1807	1.880	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.2775	0.069	2	112.2775	0.005	2	112.1807	1.880	20	112.1807	1.880	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x5](C[5,5]C[3,5,5]CC)(C[5,5]C[3,5,5]HH)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.4460	0.004	2	112.4460	0.000	2	112.1807	1.880	20	112.1807	1.880	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H){3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.3885	0.005	2	112.3885	0.000	2	112.1807	1.880	20	112.1807	1.880	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{2|C<4>,4|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H){3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	111.8635	0.702	2	111.8635	0.493	2	112.1807	1.880	20	112.1807	1.880	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<5>,4|H<1>}	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H){2|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	111.8303	3.361	4	112.1444	3.862	10	112.1807	1.880	20	112.1807	1.880	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<6>,5|H<1>}	C[3x5](C[5,5]C[3,5,5]RhH)(C[5,5]C[3,5,5]HH)2(H){3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.3538	0.206	6	112.1444	3.862	10	112.1807	1.880	20	112.1807	1.880	20	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,6|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2{1|O<1>,1|O<2>,7|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:2:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5])	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	112.6970	0.000	2	112.6970	0.000	2	111.2242	1.808	5	111.6721	1.231	11	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5])	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.2530	0.000	1	110.2530	0.000	1	111.2242	1.808	5	111.6721	1.231	11	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5])	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.2370	0.000	2	110.2370	0.000	2	111.2242	1.808	5	111.6721	1.231	11	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|Br<1>,1|C<3>,2|O<1>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	112.3057	1.080	3	112.3057	1.167	3	112.0453	0.649	6	111.6721	1.231	11	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|C<3>,1|O<2>,2|O<1>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	111.7850	0.502	3	111.7850	0.252	3	112.0453	0.649	6	111.6721	1.231	11	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H)	H(C[5,5]C[3,5,5]C[3x5]O)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H){1|B<6>,1|C<3>,4|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H){1|B<6>,2|H<1>}	H(C[5,5]C[3,5,5]C[3x5]O)	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.7421	0.422	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.5540	0.000	2	110.4680	0.010	4	110.4680	0.010	4	110.7421	0.422	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|Br<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.3820	0.000	2	110.4680	0.010	4	110.4680	0.010	4	110.7421	0.422	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,5|H<1>}	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H){1|O<1>,1|O<2>,5|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	112.1450	0.000	1	111.5195	0.783	2	111.5195	0.783	2	110.7421	0.422	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H){1|O<1>,1|O<2>,5|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	110.8940	0.000	1	111.5195	0.783	2	111.5195	0.783	2	110.7421	0.422	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:2:	4:	C[3x5]-4:C[5,5]-4:O[5]-2:H-1:	C[3x5]-4:C[5,5]-4:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[3x5](C[3x5]N[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]S[5])	H(C[5,5]C[3x5]C[5,5]O[5])	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>}	C[3x5](C[3x5]N[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]S[5]){1|C<3>,1|O<2>,2|C<4>,2|O<1>,5|H<1>}	H(C[5,5]C[3x5]C[5,5]O[5])	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	113.4425	0.000	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:C[5,5]-4:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H)	C[3x5](C[3x5]N[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]S[5])	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,3|O<2>}	C[3x5](C[3x5]N[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]S[5]){1|C<3>,1|O<2>,2|C<4>,2|O<1>,5|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	113.4560	0.000	1	113.4560	0.000	1	113.4560	0.000	1	113.4425	0.000	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:4:	4:	C[3,5]-4:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H)	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH)	H(C[5,5]C[3,5]C[3x5]O[5])	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH){3|C<4>,3|H<1>,3|O<2>}	H(C[5,5]C[3,5]C[3x5]O[5])	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	111.8270	0.378	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH){2|O<1>,4|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	111.8270	0.378	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	3:4:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H){3|C<4>,4|C<3>}	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){1|O<1>,5|C<3>,6|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	3:4:4:3:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]N[5])	111.1430	0.000	1	111.1430	0.000	1	111.4375	0.173	2	111.4375	0.173	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	3:4:4:3:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[3x5]C[5]N[5])	111.7320	0.000	1	111.7320	0.000	1	111.4375	0.173	2	111.4375	0.173	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	3:4:4:4:	4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH)	H(C[5,5]C[3,5]C[3x5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[3,5]C[3x5]N[5])	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:3:4:2:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CC)(C[5]C[5]O)(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5])	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CC)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5]){1|C<4>,1|O<1>,6|C<3>}	H(C[5,5]C[3x5]C[5]2)	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:3:4:3:	4:	C[3x5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O)	H(C[5,5]C[3x5]C[5,5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H){2|O<1>,4|C<3>,5|H<1>}	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[3x5]C[5,5]N[5])	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5]-4:C[3,5,5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5,5]-4:O[5,5]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H)	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H)	H(C[5,5]C[3,5,5]C[3x5]C[5a])	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H){1|N<3>,2|C<3>,5|H<1>}	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H){2|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C[5a])	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5])	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	115.8149	13.285	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|Br<1>,1|C<3>,2|O<1>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	118.2740	2.750	3	116.6557	10.004	6	116.6557	10.004	6	115.8149	13.285	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|C<3>,1|O<2>,2|O<1>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	115.0373	3.096	3	116.6557	10.004	6	116.6557	10.004	6	115.8149	13.285	7	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H)	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H){1|B<6>,1|O<2>,4|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H){1|B<6>,2|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C)	108.9160	0.000	1	108.9160	0.000	1	109.8115	1.604	2	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H){1|C<3>,1|N<4>,4|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H){3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C)	110.7070	0.000	1	110.7070	0.000	1	109.8115	1.604	2	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[3,5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H)	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[3,5]C[3x5]C[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[3,5]C[3x5]C[5])	107.5560	0.000	1	107.5560	0.000	1	107.5560	0.000	1	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[4x5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[5,5]C[3x5]C[5]2)	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H)	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	C[3x5](C[5,5]C[5]O[5]H)2(C[5,5]C[5]2H)(H){1|O<1>,1|O<2>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,6,6]C[3x5]C[5])	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>,5|C<4>}	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|Br<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,6,6]C[3x5]C[5])	111.4020	0.000	2	111.5150	0.017	4	111.5150	0.017	4	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,6,6]C[3x5]C[5])	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,4|H<1>}	C[3x5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,5]C[5,6,6]C[3x5]C[5])	111.6280	0.000	2	111.5150	0.017	4	111.5150	0.017	4	111.3409	4.938	10	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[4x5]-4:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC){2|C<4>,2|O<2>,9|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.7985	0.528	2	110.7985	0.279	2	110.7985	0.279	2	110.7985	0.279	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[3x5](C[3x5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x5](C[3x5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.0575	0.524	2	110.0575	0.275	2	110.0575	0.275	2	110.5025	0.356	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){2|S<4>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5]C[5]N[5])	110.9520	0.000	1	110.9520	0.000	1	110.9475	0.000	2	110.5025	0.356	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|S<4>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5]C[5]N[5])	110.9430	0.000	1	110.9430	0.000	1	110.9475	0.000	2	110.5025	0.356	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3){1|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.1150	0.184	2	112.1150	0.034	2	112.1150	0.034	2	111.4415	0.334	6	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<2>,5|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.1335	0.036	2	111.1335	0.001	2	111.1335	0.001	2	111.4415	0.334	6	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<4>,7|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.4450	0.000	1	111.4450	0.000	1	111.0760	0.272	2	111.4415	0.334	6	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,4|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.7070	0.000	1	110.7070	0.000	1	111.0760	0.272	2	111.4415	0.334	6	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	3:3:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2{2|O<2>,4|C<3>,8|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.1990	0.516	2	110.1990	0.266	2	110.1990	0.266	2	110.1990	0.266	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	3:4:3:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H)	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[3x5]C[5]2)	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	107.7590	0.000	1	107.7590	0.000	1	108.2600	0.502	2	109.7070	2.985	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	108.7610	0.000	1	108.7610	0.000	1	108.2600	0.502	2	109.7070	2.985	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[3x5](N[5,5]C[5]O[5])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){4|C<4>,4|H<1>}	C[3x5](N[5,5]C[5]O[5])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<3>,9|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.1540	0.281	2	111.1540	0.079	2	111.1540	0.079	2	109.7070	2.985	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:3:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,3|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.0660	0.000	1	112.0660	0.000	1	112.0660	0.000	1	112.0660	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:3:4:2:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5,5]C[3x5]C[5]2)	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<3>,2|C<4>,6|H<1>}	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2{1|C<3>,2|O<2>,8|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	110.7210	0.323	3	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[3x5](C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]CH)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.0490	0.020	2	111.0490	0.000	2	111.0490	0.000	2	110.7210	0.323	3	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:3:2:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5])	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,2|H<1>,6|C<4>}	H(C[5,5]C[3x5]C[5,6]C[5])	111.0350	0.000	1	111.0350	0.000	1	110.5517	1.206	4	110.5517	1.206	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,3|H<1>,5|C<4>}	H(C[5,5]C[3x5]C[5,6]C[5])	111.1300	0.168	2	110.3907	1.654	3	110.5517	1.206	4	110.5517	1.206	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5,6]C[5])	108.9120	0.000	1	110.3907	1.654	3	110.5517	1.206	4	110.5517	1.206	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.3450	0.003	2	111.3450	0.000	2	111.3450	0.000	2	111.3450	0.000	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:C-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H)	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H){1|C<4>,5|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)2(C[5,5]C[3,5,5]HH)(H){3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C)	107.3470	0.011	2	107.3470	0.000	2	107.3470	0.000	2	107.3470	0.000	2	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:2:	4:	C[3x5]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[3x5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])	H(C[5,5]C[5,5,6]C[3x5]C[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[3x5]C[5])	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	110.0454	7.005	5	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>}	H(C[5,5]C[3x5]C[5]2)	112.0020	0.076	2	109.5743	7.861	4	109.5743	7.861	4	110.0454	7.005	5	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>}	H(C[5,5]C[3x5]C[5]2)	107.1465	0.025	2	109.5743	7.861	4	109.5743	7.861	4	110.0454	7.005	5	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){2|S<4>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	107.9560	0.000	1	107.9560	0.000	1	108.4265	0.443	2	109.8900	1.436	6	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H)	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|S<4>,3|C<4>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	108.8970	0.000	1	108.8970	0.000	1	108.4265	0.443	2	109.8900	1.436	6	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(N[5]C[5]C)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(N[5]C[5]C){12|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.6217	0.323	4	110.6217	0.104	4	110.6217	0.104	4	109.8900	1.436	6	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5,5]-4:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH)	H(C[5,5]C[3,5]C[3x5]C[5,5])	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(C[3x5]C[5,5]2C)(H){1|O<2>,3|C<4>,5|H<1>}	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH){3|C<4>,3|H<1>,3|O<2>}	H(C[5,5]C[3,5]C[3x5]C[5,5])	110.0640	0.000	1	110.0640	0.000	1	110.0640	0.000	1	110.7610	0.419	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H)	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH){3|C<4>,3|H<1>,3|O<2>}	H(C[5,5]C[3x5]C[5]2)	110.3770	0.000	1	110.3770	0.000	1	110.9933	0.305	3	110.7610	0.419	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.3015	0.200	2	111.3015	0.040	2	110.9933	0.305	3	110.7610	0.419	4	111.5805	4.297	198	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C[4x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H)	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2	H(C[5,5]C[5,6a]2C[4x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H){1|O<2>,4|H<1>,8|C<3>}	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2{2|H<1>,6|C<3>}	H(C[5,5]C[5,6a]2C[4x5])	109.9320	0.028	2	109.9320	0.001	2	109.9320	0.001	2	109.9320	0.001	2	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C[4x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H)	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2	H(C[5,5]C[5,6a]C[4x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2{2|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[4x5]C[5])	110.8930	0.093	2	110.8930	0.009	2	110.8930	0.009	2	110.8930	0.009	2	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:2:2:1:	4:4:4:4:	4:	C[4x5]-4:O[5]-2:O[5]-2:H-1:	C[3x5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(O[5]C[5])2(H)	C[4x5](C[3x5]C[5,5]2O)(C[5,5]C[5]2H)2(C[5,5]O[5]2H)	H(C[5,5]C[4x5]O[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(O[5]C[5])2(H){1|O<2>,4|C<4>,6|H<1>}	C[4x5](C[3x5]C[5,5]2O)(C[5,5]C[5]2H)2(C[5,5]O[5]2H){10|H<1>,2|C<3>}	H(C[5,5]C[4x5]O[5]2)	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)(C[3x5,6]C[3,5,5,6]O[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	112.3160	0.008	2	112.3160	0.000	2	112.1994	0.067	8	112.1934	0.052	10	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]H)2(C[5,5]C[3,5,5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	112.5395	0.021	2	112.5395	0.000	2	112.1994	0.067	8	112.1934	0.052	10	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{2|C<6>,4|H<1>}	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H){3|H<1>,6|B<6>}	H(C[5,5]C[3,5,5]C[4x5]H)	111.9710	0.009	4	111.9710	0.000	4	112.1994	0.067	8	112.1934	0.052	10	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:1:1:	4:4:4:1:	4:	C[4x5]-4:C[3,5,5]-4:H-1:H-1:	C[4x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5,6]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]2H)(H)2	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[4x5]C[3x5,6]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]2H)(H)2{3|C<4>,3|H<1>}	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(C[5,5]C[3,5,5]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	112.1695	0.028	2	112.1695	0.001	2	112.1695	0.001	2	112.1934	0.052	10	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:2:1:	4:4:4:4:	4:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)	H(C[5,5]C[4x5]C[5]O[5])	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|C<4>,4|O<2>,6|H<1>}	H(C[5,5]C[4x5]C[5]O[5])	111.7930	0.000	1	111.7930	0.000	1	111.8950	0.021	2	111.8950	0.021	2	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:2:1:	4:4:4:4:	4:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)	H(C[5,5]C[4x5]C[5]O[5])	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>,5|O<2>}	H(C[5,5]C[4x5]C[5]O[5])	111.9970	0.000	1	111.9970	0.000	1	111.8950	0.021	2	111.8950	0.021	2	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[4x5](C[3x5]C[5,5]2H)(C[5,5]C[5]2C)(C[5,5]C[5]2H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[4x5](C[3x5]C[5,5]2H)(C[5,5]C[5]2C)(C[5,5]C[5]2H)2{13|H<1>,1|C<3>,2|O<2>}	H(C[5,5]C[4x5]C[5]2)	115.5820	0.000	1	115.5820	0.000	1	112.5430	28.310	4	110.2799	22.722	7	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	C[4x5](C[3x5]C[5,5]2O)(C[5,5]C[5]2H)2(C[5,5]O[5]2H)	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4x5](C[3x5]C[5,5]2O)(C[5,5]C[5]2H)2(C[5,5]O[5]2H){10|H<1>,2|C<3>}	H(C[5,5]C[4x5]C[5]2)	109.2980	6.536	2	109.2980	42.726	2	112.5430	28.310	4	110.2799	22.722	7	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[4x5](C[3x5]C[5,5]2H)(C[5,5]C[5]2C)(C[5,5]C[5]2H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	C[4x5](C[3x5]C[5,5]2H)(C[5,5]C[5]2C)(C[5,5]C[5]2H)2{13|H<1>,1|C<3>,2|O<2>}	H(C[5,5]C[4x5]C[5]2)	115.9940	0.000	1	115.9940	0.000	1	112.5430	28.310	4	110.2799	22.722	7	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[4x5]	H	4:4:4:1:	4:4:4:4:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:N[5,5]-4:	C[5,5]-4:	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H)	C[4x5](C[5,5]C[5]2H)3(N[5,5]C[5]2B)	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H){1|B<4>,4|C<4>,6|H<1>}	C[4x5](C[5,5]C[5]2H)3(N[5,5]C[5]2B){16|H<1>}	H(C[5,5]C[4x5]C[5]2)	107.2623	1.341	3	107.2623	1.798	3	107.2623	1.798	3	110.2799	22.722	7	111.5861	9.138	24	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	H(C[5,5]C[5,5,6,6]C[5,6a]O[5])	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5,6,6]C[5,6a]O[5])	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5,6,6]C[5]O[5])	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5,6,6]C[5]O[5])	112.4420	0.308	2	112.4420	0.095	2	112.3530	0.071	3	112.2482	0.091	4	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5,6,6]C[5]O[5])	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5,6,6]C[5]O[5])	112.1750	0.000	1	112.1750	0.000	1	112.3530	0.071	3	112.2482	0.091	4	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5,6,6]C[5]O[5])	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5]O[5])	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	112.2482	0.091	4	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,3|O<1>,6|H<1>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	112.7050	0.222	3	112.7050	0.049	3	112.7850	0.050	8	112.7850	0.050	8	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	112.8330	0.237	5	112.8330	0.056	5	112.7850	0.050	8	112.7850	0.050	8	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{1|H<1>,5|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	113.0950	1.161	2	113.0950	1.348	2	113.0950	1.348	2	113.0950	1.348	2	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	3:4:2:3:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	H(C[5,5]C[5,5,6,6]2H)	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6,6]2H)	112.7030	0.039	4	112.7030	0.002	4	112.7030	0.002	4	112.7030	0.002	4	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:2:2:3:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:S[5,6,6]-2:S[5,6,6]-2:C[6a]-3:	C[5,5]-4:	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2{1|S<2>,2|S<1>,4|C<3>}	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2){1|S<2>,2|H<1>,2|S<1>,3|C<3>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	110.0925	0.121	2	110.0925	0.015	2	110.0925	0.015	2	110.0925	0.015	2	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7495	0.033	2	112.7495	0.001	2	112.7495	0.001	2	112.7495	0.001	2	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	112.7135	0.011	2	112.7135	0.000	2	112.7135	0.000	2	112.8126	1.254	16	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.6580	0.033	4	112.6580	0.001	4	112.6580	0.001	4	112.8126	1.254	16	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]Br)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H){1|N<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]Br)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	112.8126	1.254	16	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	113.3199	0.056	7	113.3199	0.003	7	113.3486	0.006	9	112.8126	1.254	16	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	113.4490	0.049	2	113.4490	0.002	2	113.3486	0.006	9	112.8126	1.254	16	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	H(C[5,5]C[5,5,6,6]2H)	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6,6]2H)	112.6840	0.020	2	112.6840	0.000	2	112.6840	0.000	2	112.8419	0.125	13	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH){2|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7970	0.115	4	112.7970	0.013	4	112.7646	0.011	9	112.8419	0.125	13	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.6385	0.037	2	112.6385	0.001	2	112.7646	0.011	9	112.8419	0.125	13	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.8053	0.054	3	112.8053	0.003	3	112.7646	0.011	9	112.8419	0.125	13	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6])	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	113.3480	0.895	2	113.3480	0.801	2	113.3480	0.801	2	112.8419	0.125	13	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7685	0.059	2	112.7685	0.003	2	112.7685	0.003	2	112.7685	0.003	2	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.8633	0.035	3	112.8633	0.001	3	112.8224	0.004	5	112.8224	0.004	5	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7610	0.040	2	112.7610	0.002	2	112.8224	0.004	5	112.8224	0.004	5	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	111.9098	0.271	8	111.9098	0.073	8	112.1120	0.156	12	112.1120	0.156	12	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	112.6955	0.282	2	112.5165	0.074	4	112.1120	0.156	12	112.1120	0.156	12	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	112.3375	0.120	2	112.5165	0.074	4	112.1120	0.156	12	112.1120	0.156	12	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H)	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]O)	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H){2|C<4>,2|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]O)	110.9907	0.348	3	110.9907	0.121	3	110.9907	0.121	3	111.3926	0.368	5	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	112.0900	0.000	1	112.0900	0.000	1	111.9955	0.018	2	111.3926	0.368	5	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	111.9010	0.000	1	111.9010	0.000	1	111.9955	0.018	2	111.3926	0.368	5	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	112.5023	0.731	78	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H)	H(C[5,5]C[5,5,6]N[5,5,6]H)	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2{2|O<1>,6|H<1>}	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H){2|H<1>,2|O<1>}	H(C[5,5]C[5,5,6]N[5,5,6]H)	112.1070	0.040	2	112.1070	0.002	2	112.1070	0.002	2	112.1070	0.002	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	3:4:2:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO)	H(C[5,5]C[5,5,6]C[5,6a]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]O[5])	112.7940	0.253	2	112.7940	0.064	2	112.7940	0.064	2	112.7940	0.064	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H)	H(C[5,5]C[5,5,6]N[5,5a]C[5,5])	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[3x5]C[5,6]H)(C[5,5]N[5,5a]C[5,5]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]N[5,5a]C[5,5])	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H){5|H<1>,6|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H)	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H){4|H<1>,5|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3){2|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	71.0747	0.000	1	71.0747	0.000	1	71.0747	0.000	1	71.0747	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:2:2:1:	4:3:4:1:	4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5,6]O[5]2)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H){1|N<2>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5,6]O[5]2)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:2:2:1:	4:4:4:2:	4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC)	H(C[5,5]C[5,5,6]O[5]2)	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:2:2:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3)	H(C[5,5]C[5,5,6]O[5]2)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	110.7240	0.146	2	110.7240	0.021	2	110.7240	0.021	2	112.9847	15.342	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:2:2:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]O[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5,6]O[5]2)	117.5060	0.000	1	117.5060	0.000	1	117.5060	0.000	1	112.9847	15.342	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,5,6]-4:P[5,5,6]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2{2|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	112.2000	0.015	3	112.2000	0.000	3	112.2000	0.000	3	112.2000	0.000	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	114.4775	0.013	2	114.4775	0.000	2	114.4775	0.000	2	114.4775	0.000	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:2:1:	3:4:3:4:	4:	C[5,5,6]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,5]C[5,5,6]N[5]O[5])	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]N[5]O[5])	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:2:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C)	H(C[5,5]C[5,5,6]C[5,6a]O[5])	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,6a]O[5])	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:2:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]O[5])	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:3:4:1:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]N[5]2)	111.9240	0.000	1	112.0413	0.012	3	112.0413	0.012	3	112.0413	0.012	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:3:4:1:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){2|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]N[5]2)	112.1000	0.061	2	112.0413	0.012	3	112.0413	0.012	3	112.0413	0.012	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]N[5]2)	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	111.5100	0.000	1	111.5100	0.000	1	111.8550	0.338	3	111.7253	0.293	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	112.0275	0.705	2	112.0275	0.497	2	111.8550	0.338	3	111.7253	0.293	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]N[5]2)	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	111.7253	0.293	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]N[5]2)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]N[5]2)	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H)	H(C[5,5]C[5,5,6]N[5,5,6]C[6a])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H){2|C<3>,2|O<1>,6|H<1>}	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5,5]C[5,5,6]N[5,5,6]C[6a])	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	112.3845	0.549	2	112.3845	0.302	2	112.5045	0.225	6	112.5045	0.225	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	112.9890	0.000	1	112.9890	0.000	1	112.5045	0.225	6	112.5045	0.225	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5,6]C[5]2)	112.9850	0.000	1	112.9850	0.000	1	112.5045	0.225	6	112.5045	0.225	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)2(H)	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)2(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	112.1420	0.260	2	112.1420	0.068	2	112.5045	0.225	6	112.5045	0.225	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.3330	0.000	1	111.3993	0.005	3	111.3993	0.005	3	111.3993	0.005	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.4700	0.000	1	111.3993	0.005	3	111.3993	0.005	3	111.3993	0.005	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.3950	0.000	1	111.3993	0.005	3	111.3993	0.005	3	111.3993	0.005	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.5430	0.000	1	110.5430	0.000	1	110.1520	0.306	2	110.1520	0.306	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.7610	0.000	1	109.7610	0.000	1	110.1520	0.306	2	110.1520	0.306	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{1|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H){1|H<1>,6|C<3>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	113.6460	0.027	2	113.6460	0.001	2	113.6460	0.001	2	112.8776	0.081	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.8175	0.037	6	112.8175	0.001	6	112.7816	0.003	16	112.8776	0.081	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{2|C<3>,2|N<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	112.7600	0.057	10	112.7600	0.003	10	112.7816	0.003	16	112.8776	0.081	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1718	0.048	4	113.1718	0.002	4	113.1718	0.002	4	112.9870	0.449	22	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8163	0.048	3	113.2981	0.094	13	113.2402	0.104	15	112.9870	0.449	22	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	113.4426	0.156	10	113.2981	0.094	13	113.2402	0.104	15	112.9870	0.449	22	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<4>,2|N<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]C[5,5,6]2H)	112.8640	0.035	2	112.8640	0.001	2	113.2402	0.104	15	112.9870	0.449	22	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	Ga[5,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	111.4750	0.025	3	111.4750	0.001	3	111.4750	0.001	3	112.9870	0.449	22	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	P[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](P[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](P[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2C)(H)2{1|C<4>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	112.5420	0.111	4	112.5420	0.012	4	112.5516	0.012	8	112.5516	0.012	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	P[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](P[5,5,6]C[5,6]2Rh)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](P[5,5,6]C[5,6]2Rh)(C[5,5,6]C[5,6]2C)(H)2{1|C<4>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	112.5613	0.120	4	112.5613	0.014	4	112.5516	0.012	8	112.5516	0.012	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:Br-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br)	H(C[5,5]C[5,5,6]2Br)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br){1|Br<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2Br)	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H)	H(C[5,5]C[5,5,6]2Br)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2Br)	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,1|C<3>,1|P<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9660	0.013	2	112.8445	0.020	4	112.8285	0.012	8	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,1|C<3>,1|P<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7230	0.035	2	112.8445	0.020	4	112.8285	0.012	8	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,3|H<1>,3|N<3>}	H(C[5,5]C[5,5,6]2H)	112.8795	0.016	2	112.8125	0.007	4	112.8285	0.012	8	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,3|H<1>,3|N<3>}	H(C[5,5]C[5,5,6]2H)	112.7455	0.062	2	112.8125	0.007	4	112.8285	0.012	8	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6830	0.015	3	112.6830	0.000	3	112.6830	0.000	3	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	112.5640	0.008	2	112.5640	0.000	2	112.5640	0.000	2	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<2>,1|C<3>,1|P<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9677	0.012	4	112.9677	0.000	4	112.9632	0.000	6	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	H(C[5,5]C[5,5,6]2H)	112.9380	0.000	1	112.9380	0.000	1	112.9632	0.000	6	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	H(C[5,5]C[5,5,6]2H)	112.9700	0.000	1	112.9700	0.000	1	112.9632	0.000	6	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	112.8085	0.045	2	112.7795	0.002	4	112.7795	0.002	4	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.7505	0.043	2	112.7795	0.002	4	112.7795	0.002	4	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:Cl-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]2H)	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.6465	0.009	2	112.6465	0.000	2	112.7202	0.004	13	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6535	0.053	2	112.7144	0.002	9	112.7202	0.004	13	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.7354	0.030	5	112.7144	0.002	9	112.7202	0.004	13	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7230	0.034	2	112.7144	0.002	9	112.7202	0.004	13	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8195	0.005	2	112.8195	0.000	2	112.7202	0.004	13	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{3|Br<1>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H){1|Br<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	114.6610	3.195	2	114.6610	10.206	2	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{3|Br<1>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	114.2870	4.629	2	114.2870	21.425	2	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8574	0.015	5	112.8769	0.129	123	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0456	0.129	7	112.8769	0.129	123	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9183	0.125	4	112.8769	0.129	123	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7383	0.285	22	112.8769	0.129	123	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8863	0.442	58	112.8769	0.129	123	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9234	0.280	27	112.8769	0.129	123	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8735	0.013	2	112.9460	0.005	5	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9943	0.024	3	112.9460	0.005	5	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|Pt<7>,1|O<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H){1|O<2>,1|O<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8080	0.074	2	112.8080	0.005	2	112.9261	0.432	134	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-4:Cl-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	H(C[5,5]C[5,5,6]2H)	112.9965	0.033	2	112.9965	0.001	2	112.9965	0.001	2	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<2>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.8250	0.000	1	112.8250	0.000	1	112.9727	0.006	6	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0022	0.020	5	113.0022	0.000	5	112.9727	0.006	6	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2{2|C<4>,5|H<1>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{1|C<3>,1|S<4>,4|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0980	0.006	2	113.0980	0.000	2	113.0980	0.000	2	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	P[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|S<4>,4|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5810	0.021	2	112.5810	0.000	2	112.5810	0.000	2	112.8662	0.419	186	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,6]-4:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5420	0.013	2	112.5420	0.000	2	112.5420	0.000	2	112.5420	0.000	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	3:5:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-5:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|Pt<7>,1|O<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8425	0.069	2	112.8425	0.005	2	112.8425	0.005	2	112.8425	0.005	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:S[5,6]-2:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5885	0.016	2	112.5885	0.000	2	112.5885	0.000	2	112.5885	0.000	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H){1|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3865	0.008	2	113.3865	0.000	2	113.3865	0.000	2	113.3865	0.000	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7740	0.047	2	112.7740	0.002	2	112.7740	0.002	2	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<6>,3|B<6>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|B<6>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3545	0.008	2	113.3545	0.000	2	113.4304	1.330	17	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	114.5120	2.174	4	113.7736	2.650	8	113.4304	1.330	17	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0353	0.055	4	113.7736	2.650	8	113.4304	1.330	17	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2300	0.017	5	113.2300	0.000	5	113.4304	1.330	17	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6340	0.557	2	112.6340	0.310	2	113.4304	1.330	17	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2117	0.059	4	113.2117	0.003	4	113.0862	0.276	18	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0540	1.779	2	113.0540	3.165	2	113.0862	0.276	18	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1320	0.023	2	113.1320	0.001	2	113.0862	0.276	18	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H){2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3845	0.005	2	113.3845	0.000	2	113.0862	0.276	18	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3157	0.036	4	113.3157	0.001	4	113.0862	0.276	18	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5752	0.040	4	112.5752	0.002	4	113.0862	0.276	18	113.2275	0.762	37	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2{6|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	H(C[5,5]C[5,5,6]2H)	112.6170	0.091	4	112.6170	0.008	4	112.6170	0.008	4	112.7882	1.858	19	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){2|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2H)	112.9730	1.888	4	112.9730	3.566	4	112.9730	3.566	4	112.7882	1.858	19	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	113.0433	2.448	4	113.0433	5.991	4	113.0433	5.991	4	112.7882	1.858	19	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8110	0.028	2	112.8110	0.001	2	112.6347	0.678	7	112.7882	1.858	19	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	110.8160	0.000	1	110.8160	0.000	1	112.6347	0.678	7	112.7882	1.858	19	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H){1|Ga<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8045	0.042	2	112.8045	0.002	2	112.6347	0.678	7	112.7882	1.858	19	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H){1|Rh<6>,3|H<1>,3|N<3>}	H(C[5,5]C[5,5,6]2H)	113.1980	0.052	2	113.1980	0.003	2	112.6347	0.678	7	112.7882	1.858	19	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2{6|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH){1|C<4>,2|H<1>,7|C<3>}	H(C[5,5]C[5,5,6]2H)	112.6593	0.070	4	112.6593	0.005	4	112.6593	0.005	4	112.2015	1.758	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	111.2860	2.502	2	111.2860	6.259	2	111.2860	6.259	2	112.2015	1.758	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H){1|N<2>,2|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.2105	0.042	2	113.2105	0.002	2	113.2105	0.002	2	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.2065	0.032	2	113.2065	0.001	2	113.2065	0.001	2	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:Br-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H)	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]Br)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]Br)	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7850	0.218	2	113.2130	0.079	8	113.2130	0.079	8	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	113.3557	0.059	6	113.2130	0.079	8	113.2130	0.079	8	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|Cr<9>,1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	117.4170	1.066	2	117.4170	1.137	2	117.4170	1.137	2	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2795	0.011	2	113.2795	0.000	2	113.2338	0.003	4	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(O[5,6]N[5,6])(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1880	0.013	2	113.1880	0.000	2	113.2338	0.003	4	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5,6]2H)	113.3346	0.042	5	113.3236	0.002	7	113.2289	0.025	10	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2960	0.021	2	113.3236	0.002	7	113.2289	0.025	10	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2{1|I<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0080	0.032	3	113.0080	0.001	3	113.2289	0.025	10	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5,6]2H)	112.5657	0.039	4	112.5657	0.002	4	112.5657	0.002	4	113.2636	1.812	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<5>,3|B<6>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8216	0.038	5	112.8194	0.002	9	112.8681	0.009	19	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<5>,3|B<6>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8167	0.056	4	112.8194	0.002	9	112.8681	0.009	19	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<6>,3|B<6>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.0287	0.156	3	112.9118	0.012	10	112.8681	0.009	19	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<6>,3|B<6>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8617	0.021	7	112.9118	0.012	10	112.8681	0.009	19	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H){1|N<2>,2|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.2980	0.018	2	113.2980	0.000	2	113.2980	0.000	2	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7052	0.030	4	112.7052	0.001	4	112.7052	0.001	4	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H)	H(C[5,5]C[5,5,6]2Br)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2Br)	108.1788	0.185	4	108.1788	0.034	4	108.1788	0.034	4	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2Br)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(N[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2Br)	108.1370	0.197	4	108.1370	0.039	4	108.1370	0.039	4	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0575	0.176	2	113.0575	0.031	2	113.1313	0.009	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0230	0.059	2	113.0230	0.004	2	113.1313	0.009	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{2|H<1>,3|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1835	0.023	4	113.1835	0.001	4	113.1313	0.009	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1830	0.020	3	113.1830	0.000	3	113.1313	0.009	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	110.1585	2.088	2	110.1585	4.360	2	110.1585	4.360	2	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0235	0.011	2	113.0235	0.000	2	113.0235	0.000	2	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0380	0.037	2	112.1408	2.916	6	112.1408	2.916	6	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	110.4745	2.497	2	112.1408	2.916	6	112.1408	2.916	6	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9100	0.008	2	112.1408	2.916	6	112.1408	2.916	6	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8968	0.029	6	112.8968	0.001	6	112.8507	0.019	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9590	0.000	1	112.9590	0.000	1	112.8507	0.019	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5830	0.044	2	112.5830	0.002	2	112.8507	0.019	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9260	0.010	2	112.9260	0.000	2	112.8507	0.019	11	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9091	0.078	10	112.9091	0.006	10	112.9091	0.006	10	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	110.4790	0.018	2	110.4790	0.000	2	112.3711	1.153	9	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8617	0.030	3	112.8617	0.001	3	112.3711	1.153	9	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9493	0.036	4	112.9493	0.001	4	112.3711	1.153	9	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	114.8590	2.319	2	114.8590	5.379	2	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0590	0.020	2	113.0590	0.000	2	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9575	0.015	2	112.9575	0.000	2	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0655	0.042	2	113.0655	0.002	2	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]2H)	112.9035	0.006	2	112.9035	0.000	2	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9900	0.016	2	113.0460	0.004	5	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0490	0.013	2	113.0460	0.004	5	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1520	0.000	1	113.0460	0.004	5	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0490	0.000	1	113.0490	0.000	1	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8687	0.096	6	112.8687	0.009	6	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9010	0.027	2	112.9010	0.001	2	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8807	0.057	3	112.9652	0.010	11	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9969	0.095	8	112.9652	0.010	11	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9490	0.000	1	112.9223	0.001	3	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9090	0.031	2	112.9223	0.001	3	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9865	0.091	4	113.1359	0.145	10	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.7775	0.494	2	113.1359	0.145	10	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9500	0.023	2	113.1359	0.145	10	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9790	0.016	2	113.1359	0.145	10	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9785	0.082	4	112.9935	0.003	12	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0100	0.007	2	112.9935	0.003	12	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	113.0185	0.050	4	112.9935	0.003	12	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9570	0.016	2	112.9935	0.003	12	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9704	0.091	8	112.9772	0.006	12	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9907	0.038	4	112.9772	0.006	12	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	110.7830	1.867	2	110.7830	3.485	2	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9650	0.048	4	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0685	0.043	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8948	0.066	4	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5871	1.079	9	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9600	0.000	1	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2423	0.756	13	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0260	0.093	4	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9655	0.013	4	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9521	0.374	8	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9613	0.104	6	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9310	0.013	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0760	0.147	4	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.9375	2.535	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|B<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9437	0.020	3	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9036	0.585	95	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6794	0.753	7	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0010	0.007	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9214	0.016	7	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9305	0.015	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9205	0.015	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0620	0.011	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0130	0.072	4	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9005	0.015	4	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9360	0.008	2	112.9357	0.336	193	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0955	0.166	4	113.0955	0.028	4	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9945	0.015	2	113.1228	0.015	6	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1870	0.091	4	113.1228	0.015	6	112.9554	0.335	277	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0030	0.017	2	113.0030	0.000	2	113.1572	0.021	5	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2070	0.000	1	113.2070	0.000	1	113.1572	0.021	5	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(N[5,6]O[5,6]C)(H){1|C<4>,2|H<1>,2|N<2>}	H(C[5,5]C[5,5,6]2H)	113.2865	0.025	2	113.2865	0.001	2	113.1572	0.021	5	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Cl)2(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2458	0.047	4	113.2458	0.002	4	113.2458	0.002	4	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9860	0.031	2	112.9860	0.001	2	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]2H)	112.8113	0.089	11	112.8113	0.008	11	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7245	0.008	2	112.7245	0.000	2	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9967	0.011	3	112.9967	0.000	3	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9487	0.061	3	112.9487	0.004	3	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7880	0.000	1	112.7880	0.000	1	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AuH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Au<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AuH)(C[5,6]C[5,6]H)(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0495	0.059	4	113.0495	0.003	4	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|Br<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H){2|Br<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.4340	0.018	2	113.4340	0.000	2	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|S<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<2>,1|S<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.5010	0.033	2	112.8746	0.152	18	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9410	0.098	10	112.8746	0.152	18	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5550	0.458	6	112.8746	0.152	18	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.4814	0.720	8	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1371	0.321	8	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9545	0.024	4	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0341	0.421	17	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1354	0.418	17	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3541	1.454	8	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9637	0.026	3	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9440	1.021	31	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0472	0.065	10	113.0859	0.560	106	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){1|S<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9510	0.008	2	112.9740	0.002	6	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9855	0.060	4	112.9740	0.002	6	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	108.4935	0.764	2	108.4935	0.584	2	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|S<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7060	0.083	2	112.8090	0.016	4	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|C<3>,1|S<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9120	0.008	2	112.8090	0.016	4	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<2>,1|S<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]N)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7515	0.081	2	112.7515	0.007	2	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|C<3>,1|S<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|C<3>,1|S<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9560	0.030	2	113.6315	0.867	4	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	114.3070	0.880	2	113.6315	0.867	4	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8683	0.072	3	112.8174	0.002	21	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8127	0.045	12	112.8174	0.002	21	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8013	0.027	6	112.8174	0.002	21	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<2>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	107.7680	5.234	2	112.7455	1.922	50	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1640	1.402	6	112.7455	1.922	50	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9895	0.317	28	112.7455	1.922	50	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|P<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0040	0.058	2	112.7455	1.922	50	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|Rh<5>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0122	0.076	4	112.7455	1.922	50	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|S<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8295	0.016	2	112.7455	1.922	50	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5557	0.513	6	112.7455	1.922	50	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0330	0.033	2	113.0186	0.039	7	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1867	0.046	3	113.0186	0.039	7	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7520	0.017	2	113.0186	0.039	7	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	111.9125	0.595	2	111.9125	0.354	2	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0125	0.006	2	113.0732	0.005	6	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1585	0.040	2	113.0732	0.005	6	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|P<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0485	0.021	2	113.0732	0.005	6	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|S<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8550	0.000	1	112.8550	0.000	1	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	111.2610	1.301	2	111.2610	1.693	2	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9917	0.064	3	112.9917	0.004	3	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.7045	0.062	4	113.7045	0.004	4	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8480	0.082	2	113.3963	6.727	10	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|S<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.5334	2.923	8	113.3963	6.727	10	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0040	0.060	4	113.0040	0.004	4	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1760	0.072	3	113.1540	0.004	5	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1210	0.008	2	113.1540	0.004	5	112.9394	0.991	285	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3025	0.052	2	113.3025	0.003	2	112.7921	0.127	15	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|O<1>,1|S<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.4728	0.104	6	112.4845	0.008	8	112.7921	0.127	15	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|S<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5195	0.008	2	112.4845	0.008	8	112.7921	0.127	15	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0403	0.043	3	113.0403	0.002	3	112.7921	0.127	15	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{1|C<3>,1|S<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1400	0.068	2	113.1400	0.005	2	112.7921	0.127	15	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.3920	0.008	2	112.3920	0.000	2	112.3920	0.000	2	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	115.5590	0.447	2	115.5590	0.200	2	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5,6]2H)	112.7725	0.040	4	112.7725	0.002	4	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9905	0.025	4	112.9682	0.002	6	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9235	0.006	2	112.9682	0.002	6	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6085	0.045	2	112.6085	0.002	2	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9977	0.041	4	112.9977	0.002	4	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9505	0.022	2	112.9505	0.000	2	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9585	0.009	2	112.9536	1.053	14	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9528	1.115	12	112.9536	1.053	14	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9415	0.040	2	112.9655	0.002	4	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9895	0.039	2	112.9655	0.002	4	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9245	0.012	2	112.9245	0.000	2	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8630	0.011	2	112.8630	0.000	2	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Cr<9>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	111.0788	13.366	4	111.0788	178.641	4	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9175	0.059	4	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9555	0.040	4	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9627	0.095	3	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9141	0.046	8	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9087	0.026	3	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8955	0.005	2	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.2714	1.793	7	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|S<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9080	0.000	1	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2288	1.131	8	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6982	2.218	26	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9849	0.046	7	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9776	0.743	12	112.8426	1.928	85	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9260	0.021	2	112.9070	0.001	4	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|S<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8880	0.013	2	112.9070	0.001	4	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9077	0.025	3	112.7661	1.087	11	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7130	1.241	8	112.7661	1.087	11	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9010	0.000	1	112.9080	0.000	3	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9115	0.013	2	112.9080	0.000	3	112.8499	5.071	149	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	113.1440	0.034	2	113.1440	0.001	2	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1120	0.000	1	112.9163	0.018	6	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8772	0.103	5	112.9163	0.018	6	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]2H)	112.9385	0.022	2	112.9385	0.000	2	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3653	0.544	7	113.3653	0.296	7	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9500	0.047	2	112.9500	0.002	2	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8988	0.038	6	113.0032	0.066	18	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0553	0.305	12	113.0032	0.066	18	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	111.1305	1.716	2	111.1305	2.945	2	112.9599	0.366	39	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5110	0.601	2	112.5110	0.361	2	112.5110	0.361	2	112.8649	1.596	862	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2{4|C<4>,5|H<1>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.5952	1.695	4	112.5952	2.871	4	112.5952	2.871	4	112.7832	0.884	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9012	0.030	5	112.9012	0.001	5	112.8906	0.001	7	112.7832	0.884	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8640	0.030	2	112.8640	0.001	2	112.8906	0.001	7	112.7832	0.884	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]O)(COO)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]O)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	111.7475	1.879	2	111.7475	3.530	2	111.7475	3.530	2	112.6652	0.673	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7510	0.000	1	112.7510	0.000	1	112.7510	0.000	1	112.6652	0.673	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7067	1.020	4	112.7067	1.041	4	112.7067	1.041	4	112.6652	0.673	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CCC)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CCC){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8265	0.059	2	112.8265	0.003	2	112.8265	0.003	2	112.6652	0.673	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8390	0.020	2	112.8390	0.000	2	112.9174	0.006	5	112.6652	0.673	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2{1|I<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2){1|I<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9697	0.025	3	112.9697	0.001	3	112.9174	0.006	5	112.6652	0.673	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3){2|Cl<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5245	0.013	2	112.5245	0.000	2	112.7974	0.017	13	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8070	0.000	1	112.8070	0.000	1	112.7974	0.017	13	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8433	0.055	6	112.8433	0.003	6	112.7974	0.017	13	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8625	0.071	4	112.8625	0.005	4	112.7974	0.017	13	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6]C[6]2Cr)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|Cr<9>,1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6]C[6]2Cr){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	110.1475	3.200	2	110.1475	10.238	2	110.1475	10.238	2	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5,6]2H)	112.9840	0.000	1	112.9840	0.000	1	112.6968	0.014	9	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6435	0.047	6	112.6435	0.002	6	112.6968	0.014	9	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7130	0.020	2	112.7130	0.000	2	112.6968	0.014	9	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8100	0.018	2	112.8100	0.000	2	112.7860	0.002	3	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7380	0.000	1	112.7380	0.000	1	112.7860	0.002	3	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(P[5,5,6]C[5,5,6]C[5,6]S)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(P[5,5,6]C[5,5,6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<1>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	111.0920	0.905	2	111.0920	0.819	2	111.0920	0.819	2	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	111.8460	0.559	2	111.4017	3.687	4	111.4017	3.687	4	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{3|C<4>,3|H<1>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<4>,1|S<1>,2|H<1>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	110.9575	3.156	2	111.4017	3.687	4	111.4017	3.687	4	112.3358	1.349	33	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.6765	0.011	2	112.6765	0.000	2	112.6765	0.000	2	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|N<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|N<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8610	0.004	2	112.8610	0.000	2	113.1635	0.131	4	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){3|H<1>,4|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	113.4660	0.168	2	113.4660	0.028	2	113.1635	0.131	4	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.6497	0.052	4	112.6497	0.003	4	112.7235	0.013	13	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8625	0.100	2	112.8625	0.010	2	112.7235	0.013	13	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.6220	0.000	1	112.6220	0.000	1	112.7235	0.013	13	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.6265	0.139	2	112.6980	0.013	4	112.7235	0.013	13	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7695	0.006	2	112.6980	0.013	4	112.7235	0.013	13	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8340	0.033	2	112.8340	0.001	2	112.7235	0.013	13	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	115.2135	0.595	2	115.2135	0.354	2	113.5745	1.686	6	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.6955	0.023	2	112.6955	0.001	2	113.5745	1.686	6	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Se<2>,1|C<3>,1|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.8145	0.029	2	112.8145	0.001	2	113.5745	1.686	6	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7790	0.000	1	112.8144	0.002	5	112.8144	0.002	5	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.8233	0.040	4	112.8144	0.002	5	112.8144	0.002	5	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2F)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<5>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2F)	110.4530	0.042	2	110.4530	0.002	2	108.9590	2.021	7	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2F)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2F)	110.5260	0.000	1	108.3614	1.468	5	108.9590	2.021	7	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2F)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2F)	107.8835	0.029	2	108.3614	1.468	5	108.9590	2.021	7	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2F)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2F)	107.7570	0.016	2	108.3614	1.468	5	108.9590	2.021	7	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7437	0.045	3	112.7437	0.002	3	112.7936	0.004	7	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8310	0.046	4	112.8310	0.002	4	112.7936	0.004	7	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5923	0.058	8	112.5923	0.003	8	112.6661	0.008	27	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,8|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8360	0.028	2	112.8080	0.002	4	112.6661	0.008	27	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7800	0.031	2	112.8080	0.002	4	112.6661	0.008	27	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6730	0.042	5	112.6730	0.002	5	112.6661	0.008	27	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7740	0.027	2	112.7740	0.001	2	112.6661	0.008	27	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|N<3>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5858	0.030	4	112.5858	0.001	4	112.6661	0.008	27	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|P<4>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|W<6>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6898	0.026	4	112.6898	0.001	4	112.6661	0.008	27	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]2H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]2H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.6280	0.026	4	112.6280	0.001	4	112.6280	0.001	4	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<7>,3|C<4>,3|H<1>,3|N<3>}	H(C[5,5]C[5,5,6]2H)	112.7320	0.035	2	112.6758	0.012	12	112.6758	0.012	12	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|H<1>,3|N<3>,4|C<4>}	H(C[5,5]C[5,5,6]2H)	112.8000	0.079	2	112.6758	0.012	12	112.6758	0.012	12	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7202	0.030	4	112.6758	0.012	12	112.6758	0.012	12	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5413	0.022	4	112.6758	0.012	12	112.6758	0.012	12	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7395	1.163	2	112.7395	1.353	2	113.0326	6.817	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	114.4667	7.124	4	114.4667	50.749	4	113.0326	6.817	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5745	0.028	2	112.7509	0.012	17	113.0326	6.817	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8685	0.013	2	112.7509	0.012	17	113.0326	6.817	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7599	0.090	13	112.7509	0.012	17	113.0326	6.817	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8520	0.074	2	112.8520	0.005	2	113.0326	6.817	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|B<4>,6|H<1>}	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<3>,2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8445	0.008	2	112.8457	0.000	3	112.8507	0.001	11	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|B<4>,6|H<1>}	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8480	0.000	1	112.8457	0.000	3	112.8507	0.001	11	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8345	0.015	2	112.8526	0.002	8	112.8507	0.001	11	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8905	0.030	2	112.8526	0.002	8	112.8507	0.001	11	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8660	0.025	2	112.8526	0.002	8	112.8507	0.001	11	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8195	0.062	2	112.8526	0.002	8	112.8507	0.001	11	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8018	0.140	14	112.8018	0.020	14	112.7858	0.015	44	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8214	0.154	13	112.7783	0.014	30	112.7858	0.015	44	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7453	0.065	17	112.7783	0.014	30	112.7858	0.015	44	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5298	1.501	4	112.7930	0.313	25	112.7930	0.313	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8431	0.146	21	112.7930	0.313	25	112.7930	0.313	25	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7790	0.028	2	112.7790	0.001	2	112.7790	0.001	2	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8050	0.023	2	112.8050	0.001	2	112.7774	0.002	15	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){5|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8080	0.040	2	112.8010	0.001	4	112.7774	0.002	15	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]2H)	112.7940	0.017	2	112.8010	0.001	4	112.7774	0.002	15	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7860	0.004	2	112.7860	0.000	2	112.7774	0.002	15	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7450	0.033	2	112.7908	0.003	4	112.7774	0.002	15	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)2(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]2H)	112.8365	0.022	2	112.7908	0.003	4	112.7774	0.002	15	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{2|Si<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7040	0.009	3	112.7040	0.000	3	112.7774	0.002	15	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	114.8830	0.392	2	114.8830	0.153	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<1>}	H(C[5,5]C[5,5,6]2H)	112.5550	0.047	2	112.5550	0.002	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|O<1>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7840	0.000	1	112.7840	0.000	1	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,5]C[5,5,6]2H)	112.7845	0.032	2	112.7858	0.001	4	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7870	0.030	2	112.7858	0.001	4	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8345	0.005	2	112.8345	0.000	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7955	0.050	2	112.7955	0.003	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7750	0.033	2	112.7750	0.001	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8065	0.019	2	112.8065	0.000	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8755	0.029	2	112.7831	0.002	22	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7685	0.089	4	112.7831	0.002	22	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7750	0.008	2	112.7831	0.002	22	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7752	0.026	14	112.7831	0.002	22	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Cr<10>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7475	0.022	4	112.7475	0.000	4	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Fe<10>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6668	0.067	4	112.6668	0.004	4	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8335	0.006	2	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7310	0.004	2	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7965	0.040	2	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7485	0.005	2	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8635	0.023	2	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9010	0.013	2	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8040	0.000	1	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8710	0.000	1	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8280	0.133	4	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8790	0.029	3	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8455	0.037	4	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|N<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8130	0.000	1	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Si<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.3452	0.450	4	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9013	0.251	7	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8295	0.032	2	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5835	1.316	22	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.9900	1.838	4	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0353	0.730	26	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8830	0.074	3	112.8647	0.749	94	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8795	0.033	6	112.8454	0.230	10	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7943	0.826	4	112.8454	0.230	10	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9060	0.091	6	112.9060	0.008	6	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Si<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3683	0.278	4	113.3683	0.077	4	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Ti<8>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8932	0.137	16	112.8932	0.019	16	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|S<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<2>,1|S<3>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	114.4600	1.816	2	114.4600	3.297	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8003	0.118	3	112.8003	0.014	3	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<4>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8110	0.000	1	112.8110	0.000	1	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8125	0.026	8	112.7965	0.002	15	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6880	0.000	1	112.7965	0.002	15	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7745	0.016	2	112.7965	0.002	15	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8230	0.033	2	112.7965	0.002	15	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7820	0.041	2	112.7965	0.002	15	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7705	0.515	2	112.8072	0.054	6	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8255	0.029	4	112.8072	0.054	6	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8765	0.008	4	112.9842	0.331	13	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8565	0.041	4	112.9842	0.331	13	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.8285	1.497	2	112.9842	0.331	13	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7350	0.016	3	112.9842	0.331	13	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6855	0.037	2	112.6855	0.001	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|S<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	109.9500	3.814	2	109.9500	14.548	2	112.8599	0.577	221	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7900	0.020	2	112.7900	0.000	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6815	0.019	2	112.6815	0.000	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7887	0.024	4	112.7887	0.001	4	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	113.8670	0.383	2	113.2362	0.376	5	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5,6]2H)	112.8157	0.125	3	113.2362	0.376	5	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7386	0.213	38	112.7431	0.215	65	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6585	0.490	2	112.7431	0.215	65	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7087	0.056	4	112.7431	0.215	65	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6875	0.019	2	112.7431	0.215	65	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5,6]2H)	112.6704	0.052	5	112.7431	0.215	65	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8109	0.949	14	112.7431	0.215	65	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Cl<1>,1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1200	0.000	1	113.1200	0.000	1	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9090	0.031	4	112.9000	0.001	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8820	0.013	2	112.9000	0.001	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ag<6>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7453	0.064	3	112.7453	0.004	3	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<3>,1|P<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8060	0.007	2	112.8202	0.004	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7605	0.015	2	112.8202	0.004	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8940	0.051	2	112.8202	0.004	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6985	0.054	2	112.8287	0.009	8	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8385	0.040	2	112.8287	0.009	8	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8890	0.063	4	112.8287	0.009	8	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6940	0.013	2	112.7888	0.005	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8363	0.008	4	112.7888	0.005	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8200	0.025	2	112.9795	0.030	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0592	0.157	4	112.9795	0.030	6	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|I<1>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|I<1>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8240	0.086	4	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9513	0.121	6	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|N<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8890	0.007	2	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7688	0.347	9	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5230	2.888	2	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6773	0.391	12	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	116.3920	3.999	4	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<3>,1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8980	0.006	2	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8504	0.065	7	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<5>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8473	0.157	6	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8513	0.836	21	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0680	0.176	4	113.0054	1.570	79	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	111.6650	0.281	2	112.6741	0.262	14	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8320	0.434	6	112.6741	0.262	14	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8527	0.041	6	112.6741	0.262	14	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|S<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0675	1.158	2	113.0675	1.340	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|Pd<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8233	0.024	4	112.8398	0.006	9	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7810	0.019	3	112.8398	0.006	9	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9610	0.027	2	112.8398	0.006	9	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8893	0.106	6	111.5597	8.376	14	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|S<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8285	0.033	2	111.5597	8.376	14	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|N<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.1235	0.599	2	111.5597	8.376	14	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	108.6490	4.477	4	111.5597	8.376	14	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8055	0.018	2	112.8055	0.000	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cu<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9090	0.033	9	112.8552	0.008	13	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cu<6>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7340	0.026	4	112.8552	0.008	13	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|I<1>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H){1|C<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8127	0.166	4	112.8127	0.028	4	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8960	0.035	2	113.0309	1.000	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7457	0.059	3	113.0309	1.000	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9055	0.008	2	113.0309	1.000	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8415	0.036	4	113.0309	1.000	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8693	0.022	3	113.0309	1.000	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|N<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.6857	2.216	4	113.0309	1.000	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9665	0.009	2	112.4346	2.977	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8015	0.293	6	112.4346	2.977	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7910	0.027	4	112.4346	2.977	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|O<2>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.8745	0.326	2	112.4346	2.977	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pt<6>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0070	0.102	2	112.4346	2.977	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Si<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Si<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	108.0770	2.325	2	112.4346	2.977	18	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<3>,1|P<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7735	0.037	2	112.8563	0.008	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7760	0.031	2	112.8563	0.008	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8760	0.065	2	112.8563	0.008	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|P<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|P<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9280	0.075	4	112.8563	0.008	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8850	0.000	1	112.8850	0.000	1	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|W<11>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7977	0.064	3	112.7977	0.004	3	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<2>,1|S<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	H(C[5,5]C[5,5,6]2H)	112.7770	0.042	2	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2285	0.862	6	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|S<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|S<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	114.0870	0.093	2	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7774	0.296	14	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|N<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.2375	0.501	2	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6805	0.436	12	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7728	0.024	4	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8810	0.016	2	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7710	0.022	4	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|O<2>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0530	0.305	2	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8395	0.030	2	112.8528	0.246	52	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ir<5>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7000	0.671	12	112.7000	0.450	12	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]MgH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Mg<7>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]MgH)2(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	113.2660	0.018	2	113.2660	0.000	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ni<5>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8620	0.036	7	112.8620	0.001	7	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7945	0.067	2	112.7945	0.005	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8595	0.022	4	112.8307	0.834	28	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7730	0.054	2	112.8307	0.834	28	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8552	0.050	8	112.8307	0.834	28	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8675	0.008	2	112.8307	0.834	28	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8681	0.209	8	112.8307	0.834	28	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6887	2.713	4	112.8307	0.834	28	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<5>,1|O<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8280	0.051	2	112.8461	0.005	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<5>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8528	0.055	4	112.8461	0.005	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8995	0.141	2	112.8461	0.005	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<7>,1|O<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7975	0.033	2	112.8461	0.005	10	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)2(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8324	0.054	8	112.8324	0.003	8	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhC)(C[5,6]C[5,6]RhH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<10>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhC)(C[5,6]C[5,6]RhH)(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	115.0315	0.978	2	115.0315	0.956	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8102	0.018	4	112.8102	0.000	4	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<10>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H){1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	108.3600	2.550	2	111.9483	4.953	9	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<7>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)2(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9736	0.042	7	111.9483	4.953	9	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RuH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ru<8>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RuH)2(H){3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9720	0.075	4	112.9720	0.006	4	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Si<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	115.2765	1.968	2	115.2765	3.873	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Ni)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Ni)(C[5,5,6]C[5,6]2H)(H)2{7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Ni<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.4190	0.033	2	112.4190	0.001	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2H)(H)2{1|O<2>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Pd<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7695	0.009	2	112.7695	0.000	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	115.5370	0.201	2	115.5370	0.040	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.2335	0.008	2	112.2335	0.000	2	112.8172	1.066	451	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0093	0.024	4	113.0093	0.001	4	113.0093	0.001	4	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8355	0.021	2	112.7883	0.003	4	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7410	0.021	2	112.7883	0.003	4	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9780	0.048	4	112.9582	0.008	10	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Si<4>,1|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0845	0.012	2	112.9582	0.008	10	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8752	0.023	4	112.9582	0.008	10	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Cr<9>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.4803	1.581	7	112.4803	2.499	7	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8975	0.037	2	112.9835	0.010	6	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9705	0.011	2	112.9835	0.010	6	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0825	0.122	2	112.9835	0.010	6	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8040	0.018	2	112.8040	0.000	2	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1870	0.151	2	113.0330	0.040	4	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8790	0.051	2	113.0330	0.040	4	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7915	0.067	4	112.7915	0.004	4	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|S<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8155	0.202	2	112.8900	0.027	4	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|S<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|S<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9645	0.132	2	112.8900	0.027	4	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Si<4>,1|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.1225	0.030	2	113.1225	0.001	2	112.8537	0.401	43	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl){2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0880	0.020	2	113.0880	0.000	2	113.0880	0.000	2	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8695	0.005	2	112.8530	0.001	3	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8200	0.000	1	112.8530	0.001	3	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5755	0.036	2	112.5755	0.001	2	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8070	0.013	2	112.8070	0.000	2	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){3|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.9857	0.059	3	112.9857	0.003	3	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.9110	0.008	2	112.8069	0.005	19	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7865	0.036	2	112.8069	0.005	19	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6990	0.054	2	112.8069	0.005	19	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7872	0.048	6	112.8069	0.005	19	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8309	0.064	7	112.8069	0.005	19	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8255	0.009	2	112.8255	0.000	2	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8100	0.017	2	112.8100	0.000	2	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.4110	0.000	1	112.4110	0.000	1	112.8028	0.014	34	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,6|C<3>}	H(C[5,5]C[5,5,6]2H)	112.9420	0.023	2	112.9420	0.001	2	112.9420	0.001	2	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]N[5,5,6]C[5,6]H)2(H)2{2|C<4>,5|H<1>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|O<1>,1|S<4>,4|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.4595	0.075	6	112.4595	0.006	6	112.4009	0.016	8	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,6|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.2250	0.010	2	112.2250	0.000	2	112.4009	0.016	8	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2I)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2I)	114.7395	1.023	2	114.7395	1.047	2	114.7395	1.047	2	112.8035	0.962	977	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH){1|O<2>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5,6]2H)	111.7520	1.184	2	111.7520	1.401	2	111.7520	1.401	2	111.7520	1.401	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5758	0.061	9	112.5758	0.004	9	112.5758	0.004	9	112.3876	0.718	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CNO)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CNO){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	111.5410	2.324	2	111.5410	5.399	2	111.5410	5.399	2	112.3876	0.718	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	112.7180	0.069	2	112.7180	0.005	2	112.7180	0.005	2	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7975	0.016	4	112.7475	0.007	10	112.7475	0.007	10	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	112.7142	0.093	6	112.7475	0.007	10	112.7475	0.007	10	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5,6]2H)	113.3915	0.937	2	113.3915	0.878	2	113.0475	0.451	4	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	112.7035	0.029	2	112.7035	0.001	2	113.0475	0.451	4	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.3706	0.647	14	112.3706	0.419	14	112.4003	0.324	18	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)2(H)2{1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.5175	0.013	2	112.5175	0.000	2	112.4003	0.324	18	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)2(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)2(H)2{1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.4915	0.022	2	112.4915	0.000	2	112.4003	0.324	18	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8922	0.083	4	112.8922	0.007	4	112.8150	2.121	6	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6605	3.242	2	112.6605	10.511	2	112.8150	2.121	6	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7103	0.203	42	112.7103	0.041	42	112.7073	0.037	48	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7165	0.006	2	112.7165	0.000	2	112.7073	0.037	48	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	112.7900	0.055	2	112.6705	0.020	4	112.7073	0.037	48	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]2H)	112.5510	0.008	2	112.6705	0.020	4	112.7073	0.037	48	112.6721	0.246	88	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	5:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,1|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.6725	0.361	2	112.6725	0.131	2	112.7752	0.034	6	112.7752	0.034	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	5:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<5>,1|O<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8235	0.016	2	112.8265	0.002	4	112.7752	0.034	6	112.7752	0.034	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	5:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<7>,1|O<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,5]C[5,5,6]2H)	112.8295	0.083	2	112.8265	0.002	4	112.7752	0.034	6	112.7752	0.034	6	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:1:1:	6:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C[5,5]-4:C[5,6]-3:C[5,6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<6>,3|B<6>,3|H<1>}	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2{1|C<3>,2|S<2>,5|B<6>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	113.3440	0.017	2	113.3440	0.000	2	113.3440	0.000	2	113.3440	0.000	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	H(C[5,5]C[5,5,6]2O)	111.8450	0.000	1	111.8450	0.000	1	111.6490	0.077	2	111.6490	0.077	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	H(C[5,5]C[5,5,6]2O)	111.4530	0.000	1	111.4530	0.000	1	111.6490	0.077	2	111.6490	0.077	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2O)	111.1900	0.000	1	110.6135	0.665	2	110.1765	0.476	4	110.1765	0.476	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	110.0370	0.000	1	110.6135	0.665	2	110.1765	0.476	4	110.1765	0.476	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2O)	109.7210	0.000	1	109.7395	0.001	2	110.1765	0.476	4	110.1765	0.476	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	109.7580	0.000	1	109.7395	0.001	2	110.1765	0.476	4	110.1765	0.476	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5,5]C[5,5,6]2O)	111.8300	0.000	1	111.6265	0.083	2	111.6265	0.083	2	111.6265	0.083	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<2>}	H(C[5,5]C[5,5,6]2O)	111.4230	0.000	1	111.6265	0.083	2	111.6265	0.083	2	111.6265	0.083	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	112.7550	0.311	2	112.5447	0.101	4	112.5447	0.101	4	112.5447	0.101	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	112.3345	0.168	2	112.5447	0.101	4	112.5447	0.101	4	112.5447	0.101	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|S<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H){3|H<1>}	H(C[5,5]C[5,5,6]2O)	110.2440	0.000	1	110.2440	0.000	1	111.1100	1.500	2	111.1100	1.500	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|S<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H){1|S<4>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	111.9760	0.000	1	111.9760	0.000	1	111.1100	1.500	2	111.1100	1.500	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H){1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3){3|H<1>}	H(C[5,5]C[5,5,6]2O)	112.8270	0.000	1	112.8270	0.000	1	112.8270	0.000	1	112.8270	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	111.9080	0.241	7	111.9080	0.058	7	111.9080	0.058	7	111.9080	0.058	7	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H){2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,2|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[3x5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	112.0090	0.208	2	112.0090	0.043	2	112.0090	0.043	2	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:N-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2N)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2N)	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]2O)	112.8065	0.087	2	112.8065	0.008	2	112.8065	0.008	2	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H){1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5,6]2O)	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	114.7690	0.000	1	114.7690	0.000	1	112.9016	1.516	5	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	111.9860	0.069	2	111.9860	0.005	2	112.9016	1.516	5	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5,6]2O)	112.2140	0.000	1	112.2140	0.000	1	112.9016	1.516	5	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	113.5530	0.000	1	113.5530	0.000	1	112.9016	1.516	5	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|N<3>}	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5,6]C[5]O[5])	112.1540	0.000	1	112.1540	0.000	1	112.1540	0.000	1	112.2852	0.912	15	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	112.1022	0.200	4	112.1022	0.040	4	112.1022	0.040	4	112.1022	0.040	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:N-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H)	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2N)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2N)	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	112.9190	0.000	1	112.9190	0.000	1	112.1981	1.240	8	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2O)	112.9290	0.000	1	112.9290	0.000	1	112.1981	1.240	8	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	112.2090	0.000	1	112.2090	0.000	1	112.1981	1.240	8	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	109.8570	0.000	1	111.2920	1.551	3	112.1981	1.240	8	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	112.0095	0.117	2	111.2920	1.551	3	112.1981	1.240	8	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	113.6230	0.000	1	113.6230	0.000	1	112.1981	1.240	8	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<4>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5,6]2O)	112.0290	0.000	1	112.0290	0.000	1	112.1981	1.240	8	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.7520	0.000	1	111.8355	0.014	2	111.8355	0.014	2	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.9190	0.000	1	111.8355	0.014	2	111.8355	0.014	2	112.0615	0.844	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2O)	113.2425	0.474	2	113.9300	0.793	4	113.9300	0.793	4	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2O)	114.6175	0.513	2	113.9300	0.793	4	113.9300	0.793	4	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]2O)	111.3905	0.218	2	111.3905	0.048	2	111.7671	0.101	7	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2O)	112.1150	0.000	1	112.1150	0.000	1	111.7671	0.101	7	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2O)	111.7860	0.000	1	111.7860	0.000	1	111.7671	0.101	7	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]2O)	111.8960	0.226	3	111.8960	0.051	3	111.7671	0.101	7	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]2O)	112.4390	0.000	1	112.4390	0.000	1	112.3102	6.591	6	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]2O)	108.7050	0.000	1	108.7050	0.000	1	112.3102	6.591	6	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2O)	111.1840	0.000	1	113.8533	5.733	3	112.3102	6.591	6	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2O)	115.1880	0.882	2	113.8533	5.733	3	112.3102	6.591	6	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2O)	111.1570	0.000	1	111.1570	0.000	1	112.3102	6.591	6	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	112.4892	2.836	18	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH)	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]O)	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.6310	0.026	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.6310	0.026	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5,6]2O)	111.4640	0.181	2	111.4640	0.033	2	111.2232	2.197	5	111.4453	1.113	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2O)	112.1000	0.000	1	112.1000	0.000	1	111.2232	2.197	5	111.4453	1.113	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2O)	112.4080	0.000	1	112.4080	0.000	1	111.2232	2.197	5	111.4453	1.113	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2O)	108.6800	0.000	1	108.6800	0.000	1	111.2232	2.197	5	111.4453	1.113	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5,6]2O)	111.8415	0.204	4	111.8415	0.042	4	111.8415	0.042	4	111.4453	1.113	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	111.4453	1.113	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,6|H<1>}	H(C[5,5]C[5,5,6]2C)	109.4855	0.209	2	109.4762	0.028	4	109.4762	0.028	4	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]2C)	109.4670	0.204	2	109.4762	0.028	4	109.4762	0.028	4	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2O)	106.3090	0.031	2	106.3090	0.001	2	106.3090	0.001	2	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2O)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2O)	111.3990	0.000	1	111.3990	0.000	1	112.3027	0.616	3	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	112.7545	0.090	2	112.7545	0.008	2	112.3027	0.616	3	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){8|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,5]C[5,5,6]2O)	113.5270	0.607	2	113.5270	0.368	2	113.3320	0.298	3	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2O)	112.9420	0.000	1	112.9420	0.000	1	113.3320	0.298	3	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5]C)(C[5,5]C[5,5]O[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	111.6075	0.032	2	111.6075	0.001	2	111.6075	0.001	2	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5]O[5]H)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.7930	0.152	3	111.7930	0.023	3	111.7930	0.023	3	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.3180	0.000	1	111.3180	0.000	1	111.4503	0.032	3	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.5165	0.196	2	111.5165	0.038	2	111.4503	0.032	3	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	113.9000	0.000	2	113.9000	0.000	2	113.9000	0.000	2	111.1865	4.188	25	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[4,5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H)	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	111.5175	0.226	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|S<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5]){1|C<4>,1|S<1>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.5700	0.000	1	111.5700	0.000	1	111.1883	0.112	3	111.5175	0.226	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	110.9975	0.071	2	110.9975	0.005	2	111.1883	0.112	3	111.5175	0.226	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.5808	0.425	5	111.5808	0.181	5	111.5601	0.204	7	111.5175	0.226	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.5085	0.701	2	111.5085	0.491	2	111.5601	0.204	7	111.5175	0.226	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:N[5,6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2N[5,6])(C[5,5]C[5]2C)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[5,6]2N[5,6])(C[5,5]C[5]2C)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6]){3|C<3>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	111.5313	0.038	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	111.5313	0.038	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	111.5313	0.038	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[3x5,6]C[5,5,6]O)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H){1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]O)	109.3205	0.182	4	109.3205	0.033	4	109.3205	0.033	4	109.6672	0.511	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2O)	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	109.6672	0.511	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H){2|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	109.6672	0.511	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H){3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|S<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	109.6140	0.058	2	109.6140	0.003	2	109.6140	0.003	2	109.6672	0.511	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(CC[6a]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(CC[6a]O)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2C)	109.9290	0.013	2	109.9290	0.000	2	109.9290	0.000	2	110.4393	0.354	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-3:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2S)	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H){1|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2S)	110.9495	0.148	2	110.9495	0.022	2	110.9495	0.022	2	110.4393	0.354	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1995	0.066	2	111.1995	0.004	2	111.1995	0.004	2	111.4250	0.155	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5,5]-4:C[6]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	111.4250	0.155	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H)	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2C[6a])	108.3075	1.517	4	108.3075	2.301	4	108.3075	2.301	4	108.3075	2.301	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:N[5,6,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,7|C<3>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,7|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H)	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[3x5,6]C[5,5,6]N)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(NCH)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]N)	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	111.5715	0.024	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	111.5715	0.024	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH)	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2C[6a])	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(H){6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,5]C[5,5,6]2C)	109.5680	1.810	2	109.5680	3.277	2	109.5680	3.277	2	110.2518	1.724	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2S)	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H){1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2S)	110.9355	0.159	2	110.9355	0.025	2	110.9355	0.025	2	110.2518	1.724	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2C[6a])	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(CC[6a]O)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(CC[6a]O)(H){1|C<4>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){6|H<1>}	H(C[5,5]C[5,5,6]2C)	110.3980	0.016	2	110.3980	0.000	2	110.3980	0.000	2	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2C)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2C)	108.7420	0.000	1	108.7420	0.000	1	109.2010	0.421	2	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2C)	109.6600	0.000	1	109.6600	0.000	1	109.2010	0.421	2	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2C[6a])	108.8800	0.000	1	108.8800	0.000	1	108.8780	0.000	2	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H)	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2C[6a])	108.8760	0.000	1	108.8760	0.000	1	108.8780	0.000	2	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1670	0.000	1	111.4525	0.163	2	111.2917	0.159	3	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.7380	0.000	1	111.4525	0.163	2	111.2917	0.159	3	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9700	0.000	1	110.9700	0.000	1	111.2917	0.159	3	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.1331	1.051	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,4|C<4>,8|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2C)	109.2405	0.702	2	109.2405	0.493	2	109.2405	0.493	2	110.2859	1.179	9	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CCH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO){3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2C)	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	110.2859	1.179	9	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.1150	0.000	1	110.1150	0.000	1	110.1150	0.000	1	110.2859	1.179	9	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	111.4887	0.574	3	111.4887	0.329	3	111.2710	0.409	4	110.2859	1.179	9	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	110.6180	0.000	1	110.6180	0.000	1	111.2710	0.409	4	110.2859	1.179	9	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	110.2859	1.179	9	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	2:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	O[5,6]-2:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H)	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H){2|H<1>,2|O<2>,5|C<4>}	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO){2|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.2685	0.042	2	109.2685	0.002	2	109.2685	0.002	2	109.2685	0.002	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.1030	0.000	1	110.1030	0.000	1	110.6060	0.506	2	110.6060	0.506	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1090	0.000	1	111.1090	0.000	1	110.6060	0.506	2	110.6060	0.506	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H)	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	109.0315	0.118	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	109.0315	0.118	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5,5]-4:C[6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	104.2290	0.000	1	104.2290	0.000	1	104.2290	0.000	1	104.2290	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5,6]2C)	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	109.2584	5.271	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2Si)	106.7540	0.000	1	106.7540	0.000	1	106.7720	0.001	2	109.2584	5.271	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2Si)	106.7900	0.000	1	106.7900	0.000	1	106.7720	0.001	2	109.2584	5.271	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1980	0.000	2	111.1980	0.000	2	111.1980	0.000	2	109.2584	5.271	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	110.8400	0.057	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:O[6]-2:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H)	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6])	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<4>,9|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.7610	0.277	2	110.7610	0.077	2	110.7610	0.077	2	110.8400	0.057	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1330	0.000	1	110.0485	2.352	2	110.0657	1.177	3	109.8564	0.687	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	108.9640	0.000	1	110.0485	2.352	2	110.0657	1.177	3	109.8564	0.687	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.1000	0.000	1	110.1000	0.000	1	110.0657	1.177	3	109.8564	0.687	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.5425	0.252	2	109.5425	0.064	2	109.5425	0.064	2	109.8564	0.687	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3)	H(C[5,5]C[3x5,6]C[5,5,6]C)	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(C[5,5]C[3x5,6]C[5,5,6]C)	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	111.9573	15.249	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	111.9573	15.249	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9350	0.000	1	110.9350	0.000	1	112.8288	17.615	6	111.9573	15.249	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,9|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.8570	0.000	1	113.2076	20.942	5	112.8288	17.615	6	111.9573	15.249	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,2|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	114.0452	4.821	4	113.2076	20.942	5	112.8288	17.615	6	111.9573	15.249	8	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]2C)2(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]O[5,6]2C)2(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3){1|C<4>}	H(C[5,5]C[5,5,6]2C)	110.7010	0.042	2	110.7010	0.002	2	110.9043	0.056	4	110.9043	0.056	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]2C)2(CC[6a]HH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]O[5,6]2C)2(CC[6a]HH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3){1|C<4>}	H(C[5,5]C[5,5,6]2C)	111.1075	0.008	2	111.1075	0.000	2	110.9043	0.056	4	110.9043	0.056	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[3x5]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H)	H(C[5,5]C[5,5,6]C[3x5]C[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[3x5]C[5])	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.7270	0.000	1	110.7305	0.513	8	110.7480	0.452	9	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.4835	0.376	4	110.7305	0.513	8	110.7480	0.452	9	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.5720	0.000	1	110.7305	0.513	8	110.7480	0.452	9	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.2480	0.000	1	110.7305	0.513	8	110.7480	0.452	9	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3630	0.000	1	110.7305	0.513	8	110.7480	0.452	9	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.8880	0.000	1	110.8880	0.000	1	110.7480	0.452	9	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.7630	0.000	1	110.7630	0.000	1	111.0720	0.191	2	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.3810	0.000	1	111.3810	0.000	1	111.0720	0.191	2	110.9014	0.469	12	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	112.0992	17.731	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	112.0992	17.731	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	118.1990	0.000	1	118.1990	0.000	1	114.5180	27.100	2	112.0992	17.731	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8370	0.000	1	110.8370	0.000	1	114.5180	27.100	2	112.0992	17.731	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2C)	110.3650	0.000	1	110.4785	0.026	2	110.4785	0.026	2	110.4785	0.026	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2C)	110.5920	0.000	1	110.4785	0.026	2	110.4785	0.026	2	110.4785	0.026	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH){4|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:As[5,6]-3:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H){1|H<1>,1|P<4>,1|W<6>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	H(C[5,5]C[5,5,6]2C)	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H)	H(C[5,5]C[5,5,6]2S)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2S)	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	110.5433	0.372	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	110.5433	0.372	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){2|C<4>,2|O<1>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8650	0.000	2	110.8650	0.000	2	110.8650	0.000	2	110.5433	0.372	4	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.7720	0.000	1	109.7720	0.000	1	109.7965	0.001	2	109.7965	0.001	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.8210	0.000	1	109.8210	0.000	1	109.7965	0.001	2	109.7965	0.001	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	110.4440	0.840	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	110.4440	0.840	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H){1|C<2>,1|N<2>,2|C<3>}	H(C[5,5]C[5,5,6]2C)	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	112.1952	0.454	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3140	0.000	1	112.3140	0.000	1	112.4761	0.034	8	112.1952	0.454	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3230	0.000	1	112.3230	0.000	1	112.4761	0.034	8	112.1952	0.454	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.4580	0.259	2	112.5287	0.035	6	112.4761	0.034	8	112.1952	0.454	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.5640	0.174	4	112.5287	0.035	6	112.4761	0.034	8	112.1952	0.454	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	112.1952	0.454	10	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2C)	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	H(C[5,5]C[5,5,6]2C[5])	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	H(C[5,5]C[5,5,6]2C[5])	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	111.2510	1.043	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH){10|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	110.6630	0.103	2	110.6630	0.011	2	110.6630	0.011	2	111.2510	1.043	3	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2C)	110.1795	0.018	2	110.1795	0.000	2	109.2603	2.535	3	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2C)	107.4220	0.000	1	107.4220	0.000	1	109.2603	2.535	3	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){1|H<1>,1|O<1>}	H(C[5,5]C[5,5,6]2C)	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H)	H(C[5,5]C[5,5,6]2S)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2S)	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2Si)	108.0505	0.039	2	108.0505	0.002	2	108.0505	0.002	2	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H){1|Si<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2Si)	115.2290	0.000	1	115.2290	0.000	1	111.1605	33.105	2	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H){1|Si<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2Si)	107.0920	0.000	1	107.0920	0.000	1	111.1605	33.105	2	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2Si)	108.5710	0.000	1	108.5675	0.000	2	108.5675	0.000	2	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2Si)	108.5640	0.000	1	108.5675	0.000	2	108.5675	0.000	2	109.4132	5.090	11	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2C)	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	109.7790	0.837	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN)	H(C[5,5]C[5,5,6]2C[5])	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,7|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN){1|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]2C[5])	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.7790	0.837	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2C)	110.1595	0.026	2	110.1595	0.001	2	110.1595	0.001	2	109.7914	0.181	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:P[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H){1|H<1>,1|P<4>,1|W<6>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3){1|P<4>,2|C<4>}	H(C[5,5]C[5,5,6]2C)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	109.7914	0.181	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3)	H(C[5,5]C[5,5,6]2C[5])	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2C[5])	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	109.7914	0.181	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO)	H(C[5,5]C[5,5,6]2C[5])	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2C[5])	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	109.7914	0.181	5	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2C)	108.5870	0.000	1	108.5870	0.000	1	109.5405	1.818	2	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<2>,1|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2C)	110.4940	0.000	1	110.4940	0.000	1	109.5405	1.818	2	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2C)	109.5613	0.134	3	109.5613	0.018	3	109.5613	0.018	3	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H)	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2C)	109.5550	0.113	3	109.5550	0.013	3	109.5550	0.013	3	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:P-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H)	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2P)	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H){1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2P)	115.3053	0.227	3	115.3053	0.052	3	115.3053	0.052	3	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:P-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2P)	C[5,5](C[5,5,6]C[5,6]2H)2(PC[6a]2Rh)(H){1|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2P)	115.1960	0.248	3	115.1960	0.062	3	115.1960	0.062	3	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2Si)	106.6470	0.010	2	106.6470	0.000	2	106.6470	0.000	2	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5]C[5,5]C[5]H)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.9835	0.040	2	111.9835	0.002	2	111.7737	0.046	6	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.6688	0.180	4	111.6688	0.033	4	111.7737	0.046	6	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.3960	0.000	1	110.3960	0.000	1	110.7955	0.284	4	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H)	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.4380	0.000	1	111.4380	0.000	1	110.7955	0.284	4	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.3210	0.000	1	110.3210	0.000	1	110.7955	0.284	4	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H){1|C<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H){1|S<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.0270	0.000	1	111.0270	0.000	1	110.7955	0.284	4	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	111.4205	6.629	28	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O[6]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6])	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.2480	0.373	2	111.2480	0.139	2	111.2480	0.139	2	111.2480	0.139	2	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[5,6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C){2|C<3>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2C)	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H){1|O<1>,4|C<4>,8|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,9|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.2350	0.000	1	109.9340	0.367	3	109.9340	0.367	3	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){3|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	110.2835	0.012	2	109.9340	0.367	3	109.9340	0.367	3	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O){10|H<1>,1|Si<4>,1|C<2>,1|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.1380	0.130	4	109.1380	0.017	4	109.1380	0.017	4	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.5005	0.150	4	110.1980	0.233	6	110.1980	0.233	6	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.5790	0.000	1	110.1980	0.233	6	110.1980	0.233	6	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.6070	0.000	1	110.1980	0.233	6	110.1980	0.233	6	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|N<3>,1|O<1>,1|O<2>,9|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9340	0.076	2	110.9340	0.006	2	110.9340	0.006	2	109.7455	0.885	17	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(CH3)	H(C[5,5]C[5,5,6]2C)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2C)	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>,7|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.0545	0.037	2	110.0545	0.001	2	110.0992	0.003	4	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){3|C<3>,5|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.1440	0.011	2	110.1440	0.000	2	110.0992	0.003	4	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8650	0.000	1	109.3915	2.439	8	109.6287	2.640	9	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.4935	0.926	2	109.3915	2.439	8	109.6287	2.640	9	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	107.8020	0.000	1	109.3915	2.439	8	109.6287	2.640	9	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	112.2910	0.000	1	109.3915	2.439	8	109.6287	2.640	9	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	108.3957	0.237	3	109.3915	2.439	8	109.6287	2.640	9	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH){4|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.5260	0.000	1	111.5260	0.000	1	109.6287	2.640	9	109.7868	1.675	14	112.5702	2.445	2724	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	3:3:4:1:	4:	N[5]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H)	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H){4|H<1>,6|C<3>}	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H){4|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	H(C[5,5]C[5,6a]2C[5,5])	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H){4|C<3>}	H(C[5,5]C[5,6a]2C[5,5])	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:3:3:3:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.7980	0.153	2	110.7980	0.023	2	110.7980	0.023	2	110.7980	0.023	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	112.0685	0.535	2	111.8113	0.342	3	111.8113	0.342	3	111.7304	0.240	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	111.2970	0.000	1	111.8113	0.342	3	111.8113	0.342	3	111.7304	0.240	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,6a]C[5,5]N[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]N[5,6])	111.2730	0.000	1	111.6090	0.226	2	111.6090	0.226	2	111.7304	0.240	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,6a]C[5,5]N[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]N[5,6])	111.9450	0.000	1	111.6090	0.226	2	111.6090	0.226	2	111.7304	0.240	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	H(C[5,5]C[5,6a]2C[5,5])	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:3:3:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:3:4:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	110.1790	0.000	1	110.1790	0.000	1	110.9330	1.137	2	111.5408	1.017	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	111.6870	0.000	1	111.6870	0.000	1	110.9330	1.137	2	111.5408	1.017	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	H(C[5,5]C[5,6a]2C[5,5])	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	111.5408	1.017	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H){4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	111.5408	1.017	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:4:3:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	110.2625	0.021	2	110.2625	0.000	2	110.2625	0.000	2	110.0297	0.163	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:3:4:1:	4:4:4:3:	4:	C[5,5a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO)	H(C[5,5]C[5,5a]C[5,5]N[5])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H){4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO){5|C<3>}	H(C[5,5]C[5,5a]C[5,5]N[5])	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	110.0297	0.163	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:1:1:	3:4:1:1:	4:	S[3,5,5]-3:C[5,5]-4:H-1:H-1:	S[3,5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2	H(C[5,5]S[3,5,5]C[5,5]H)	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2{10|C<4>,4|Cl<1>,1|O<2>}	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2{10|C<4>,4|Cl<1>,1|O<2>}	H(C[5,5]S[3,5,5]C[5,5]H)	108.9235	0.009	2	108.9235	0.000	2	108.9235	0.000	2	108.9235	0.000	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	3:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H)	H(C[5,5]C[5,6a]C[5,5]S[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H){1|Br<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H){1|Br<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]S[5])	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H){3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:2:2:4:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]O[5])	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:2:4:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]C[5,6a]C[5,5]O[5])	110.3185	1.234	2	110.3185	1.523	2	110.3185	1.523	2	110.8190	1.513	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:2:4:1:	4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	H(C[5,5]N[5,6a]C[5,5]O[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]N[5,6a]C[5,5]O[5])	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	110.8190	1.513	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:2:4:4:	4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3)	H(C[5,5]N[5,6a]C[5,5]O[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]N[5,6a]C[5,5]O[5])	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.7145	0.316	2	111.7145	0.100	2	111.7145	0.100	2	111.7145	0.100	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,5]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5a]C[5,5]O[5])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>}	H(C[5,5]C[5,5a]C[5,5]O[5])	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.8115	0.486	4	110.8115	0.236	4	111.1550	0.429	6	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.8420	0.146	2	111.8420	0.021	2	111.1550	0.429	6	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){1|C<4>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	112.3017	0.255	4	111.9926	0.239	14	111.9667	0.205	17	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.8689	0.513	10	111.9926	0.239	14	111.9667	0.205	17	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.8600	0.346	2	111.8600	0.120	2	111.9667	0.205	17	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.8180	0.000	1	111.8180	0.000	1	111.9667	0.205	17	111.7357	0.427	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:2:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO){1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H){1|N<3>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.1126	5.033	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	113.9805	4.291	2	112.7877	13.477	3	112.1055	6.039	6	112.1126	5.033	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	110.4020	0.000	1	112.7877	13.477	3	112.1055	6.039	6	112.1126	5.033	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.4233	0.473	3	111.4233	0.224	3	112.1055	6.039	6	112.1126	5.033	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5a]C[5,5]O[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5a]C[5,5]O[5])	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	111.7195	0.244	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	111.7195	0.244	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	118.7785	0.155	2	119.1822	0.806	16	118.3328	6.825	18	118.3328	6.825	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	119.8790	0.397	4	119.1822	0.806	16	118.3328	6.825	18	118.3328	6.825	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	119.6588	0.563	6	119.1822	0.806	16	118.3328	6.825	18	118.3328	6.825	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	117.9723	0.418	4	119.1822	0.806	16	118.3328	6.825	18	118.3328	6.825	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.5380	0.221	2	111.5380	0.049	2	118.3328	6.825	18	118.3328	6.825	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:4:	4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH)	H(C[5,5]N[5,5a]C[5,5]N[5])	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]N[5,5a]C[5,5]N[5])	112.0300	0.000	1	112.0300	0.000	1	111.5887	0.146	3	111.6890	0.138	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:4:	4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3)	H(C[5,5]N[5,5a]C[5,5]N[5])	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]N[5,5a]C[5,5]N[5])	111.3680	0.008	2	111.3680	0.000	2	111.5887	0.146	3	111.6890	0.138	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	3:4:3:4:	4:	N[5]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H)	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2H)(N[5]C[5]H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H){1|H<1>,2|S<1>,3|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2H)(N[5]C[5]H)(CH3){1|H<1>,2|S<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	111.6890	0.138	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.0810	0.000	1	111.5220	0.625	2	111.5220	0.625	2	111.5220	0.625	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9630	0.000	1	111.5220	0.625	2	111.5220	0.625	2	111.5220	0.625	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:2:2:	4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5])	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H){2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5]){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:2:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO){1|O<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]2C[5])	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	112.3993	6.781	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,5]-4:C[5]-3:P[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H)	H(C[5,5]C[5,5]C[5,6]P[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H){4|C<3>}	H(C[5,5]C[5,5]C[5,6]P[5])	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	112.3993	6.781	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.2725	0.237	2	111.2725	0.056	2	111.2725	0.056	2	112.3993	6.781	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:3:1:	4:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.6485	0.235	2	112.6485	0.055	2	114.3653	8.870	3	112.3993	6.781	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:3:1:	4:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5,5]C[5,5]C[5]N[5])	117.7990	0.000	1	117.7990	0.000	1	114.3653	8.870	3	112.3993	6.781	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(N[5]C[5]H)(COO)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(N[5]C[5]H)(COO){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:3:4:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.3320	0.048	2	111.3320	0.002	2	111.3320	0.002	2	111.3320	0.002	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1700	0.000	1	112.1700	0.000	1	112.1700	0.000	1	110.8555	0.814	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.2665	0.050	2	110.2665	0.003	2	110.4173	0.070	3	110.8555	0.814	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.7190	0.000	1	110.7190	0.000	1	110.4173	0.070	3	110.8555	0.814	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9540	0.000	1	111.4607	0.648	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.2140	0.964	2	111.4607	0.648	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.2130	0.000	1	111.6417	0.247	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.3560	0.071	2	111.6417	0.247	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.5260	0.000	1	114.1270	2.044	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<6>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	114.9275	0.493	2	114.1270	2.044	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<4>,1|C<4>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9857	0.418	4	112.1184	0.219	5	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.6490	0.000	1	112.1184	0.219	5	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<4>,1|C<4>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6865	0.598	2	112.0763	0.634	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<8>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.8560	0.000	1	112.0763	0.634	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.9810	0.000	1	112.2223	0.487	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.8430	0.332	2	112.2223	0.487	3	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.3440	0.198	2	111.3440	0.039	2	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.3670	0.000	1	110.3670	0.000	1	112.0970	1.246	23	112.0970	1.246	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:2:3:	4:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2){2|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	111.5761	3.512	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H)	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8690	0.453	2	110.8690	0.205	2	110.8690	0.205	2	111.5761	3.512	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	111.5761	3.512	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7230	0.000	1	110.7230	0.000	1	113.3940	14.268	2	111.5761	3.512	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	116.0650	0.000	1	116.0650	0.000	1	113.3940	14.268	2	111.5761	3.512	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){2|C<3>,2|O<1>,3|C<4>}	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	111.5761	3.512	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,6]C[5])	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,6]C[5])	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	111.5761	3.512	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO){2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.8370	0.926	2	111.8370	0.858	2	111.8370	0.858	2	112.3313	1.162	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	112.3313	1.162	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5a]C[5,5]N[5])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5,5]C[5,5a]C[5,5]N[5])	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	112.2224	1.354	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	112.2224	1.354	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6990	0.000	1	111.6990	0.000	1	111.8608	0.083	5	112.2224	1.354	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H){2|C<3>,2|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9013	0.316	4	111.9013	0.100	4	111.8608	0.083	5	112.2224	1.354	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	3:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	3:4:2:4:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8667	0.485	10	110.8667	0.235	10	111.3651	0.587	17	111.6257	1.131	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1558	0.442	6	112.1558	0.195	6	111.3651	0.587	17	111.6257	1.131	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.6040	0.000	1	111.6040	0.000	1	111.3651	0.587	17	111.6257	1.131	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	3:4:4:1:	4:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.8415	0.081	2	113.8415	0.007	2	113.8415	0.007	2	111.6257	1.131	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	3:4:4:2:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4600	0.000	1	111.4635	0.000	2	111.9386	0.331	9	111.9386	0.331	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4670	0.000	1	111.4635	0.000	2	111.9386	0.331	9	111.9386	0.331	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1913	0.989	3	112.0870	0.413	6	111.9386	0.331	9	111.9386	0.331	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9827	0.144	3	112.0870	0.413	6	111.9386	0.331	9	111.9386	0.331	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9980	0.000	1	111.9980	0.000	1	111.9386	0.331	9	111.9386	0.331	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:2:4:	4:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H){2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	112.1730	0.052	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:2:4:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	112.1730	0.052	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-3:N-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO){1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:3:4:	4:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:4:1:	4:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H)	H(C[5,5]N[5,6a]C[5,5]C[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,5]N[5,6a]C[5,5]C[5])	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:2:4:4:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4220	0.048	2	111.4220	0.002	2	111.4220	0.002	2	111.4220	0.002	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5a]C[5,5]C[5])	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	111.8902	0.090	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9398	0.187	4	111.8472	0.049	9	111.8472	0.049	9	111.8902	0.090	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.7732	0.239	5	111.8472	0.049	9	111.8472	0.049	9	111.8902	0.090	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.4230	0.000	1	111.4230	0.000	1	111.4230	0.000	1	111.8902	0.090	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:1:	4:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	H(C[5,5]N[5,6a]C[5,5]C[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]N[5,6a]C[5,5]C[5])	111.9925	0.073	2	111.9925	0.005	2	111.9925	0.005	2	111.8902	0.090	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9933	0.353	3	110.9933	0.125	3	110.9933	0.125	3	110.9933	0.125	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:4:	4:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.2900	0.000	1	111.2900	0.000	1	110.5200	0.975	3	110.5200	0.975	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:2:4:	4:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.1350	1.030	2	110.1350	1.060	2	110.5200	0.975	3	110.5200	0.975	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9700	0.000	1	110.5000	0.442	2	110.5000	0.442	2	110.9197	0.328	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0300	0.000	1	110.5000	0.442	2	110.5000	0.442	2	110.9197	0.328	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.2330	0.000	1	110.2330	0.000	1	110.8840	0.347	3	110.9197	0.328	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.2095	0.241	2	111.2095	0.058	2	110.8840	0.347	3	110.9197	0.328	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4820	0.000	1	111.4820	0.000	1	111.4307	0.003	3	110.9197	0.328	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4050	0.052	2	111.4050	0.003	2	111.4307	0.003	3	110.9197	0.328	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.9197	0.328	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:3:4:	4:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5a]C[5,5]C[5])	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	110.8460	0.040	2	110.8460	0.002	2	110.8460	0.002	2	110.9383	0.026	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	110.9383	0.026	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:3:4:4:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:C-4:	C[5,5]-4:	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.2485	0.238	2	112.2485	0.057	2	112.2485	0.057	2	112.2485	0.057	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:2:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9925	0.190	2	111.9925	0.036	2	111.9925	0.036	2	112.0750	0.039	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:2:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:N-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(O[5]C[5,6a])(NOO)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(O[5]C[5,6a])(NOO){2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	112.0750	0.039	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4780	0.000	1	111.4780	0.000	1	111.1607	0.118	8	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9340	0.000	1	110.9340	0.000	1	111.1607	0.118	8	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1457	0.367	6	111.1457	0.135	6	111.1607	0.118	8	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.6640	0.000	1	111.6640	0.000	1	111.5685	0.018	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4730	0.000	1	111.4730	0.000	1	111.5685	0.018	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	109.7590	0.000	1	109.7590	0.000	1	110.6920	1.741	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	111.6250	0.000	1	111.6250	0.000	1	110.6920	1.741	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0310	0.000	1	110.0310	0.000	1	110.0875	0.006	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.1440	0.000	1	110.1440	0.000	1	110.0875	0.006	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.7330	0.000	1	110.7330	0.000	1	110.7985	0.009	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.8640	0.000	1	110.8640	0.000	1	110.7985	0.009	2	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H)	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H)	H(C[5,5]N[5,5a]C[5,5]C[5])	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	H(C[5,5]N[5,5a]C[5,5]C[5])	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	110.9914	0.324	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:2:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN){2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8750	0.000	2	110.8750	0.000	2	110.8750	0.000	2	109.3418	3.136	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:2:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.7590	0.000	1	107.8085	0.005	2	107.8085	0.005	2	109.3418	3.136	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:3:2:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.8580	0.000	1	107.8085	0.005	2	107.8085	0.005	2	109.3418	3.136	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H){2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H){2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.6130	0.000	1	111.6130	0.000	1	111.2360	0.700	12	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.5810	0.000	1	111.5810	0.000	1	111.2360	0.700	12	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.8186	0.572	5	111.7440	0.295	6	111.2360	0.700	12	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.3710	0.000	1	111.7440	0.295	6	111.2360	0.700	12	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.5290	0.000	1	110.2935	0.286	4	111.2360	0.700	12	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.2150	0.626	3	110.2935	0.286	4	111.2360	0.700	12	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3652	0.307	5	111.3652	0.094	5	111.2170	0.150	7	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8465	0.370	2	110.8465	0.137	2	111.2170	0.150	7	110.9660	1.249	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:3:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:3:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H){2|H<1>,4|C<3>}	H(C[5,5]C[5,5]O[5]2)	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:3:4:4:	4:	C[5,5]-4:O[5]-2:N[5]-2:H-1:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]C)(O[5]C[5,6a])(N[5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5,6]C)(O[5]C[5,6a])(N[5]C[5,6])(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:4:2:1:	4:	C[5,5]-4:O[5]-2:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H){3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.4930	0.000	1	110.4250	0.009	2	110.3731	0.685	9	110.3731	0.685	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]O[5]2)	110.3570	0.000	1	110.4250	0.009	2	110.3731	0.685	9	110.3731	0.685	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.4537	1.628	3	110.3988	1.079	6	110.3731	0.685	9	110.3731	0.685	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.3440	0.195	3	110.3988	1.079	6	110.3731	0.685	9	110.3731	0.685	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]O[5]2)	110.1150	0.000	1	110.1150	0.000	1	110.3731	0.685	9	110.3731	0.685	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:2:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H)	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H){4|O<1>}	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H){4|O<1>}	H(C[5,5]C[5,5]O[5]2)	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:3:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.2410	0.000	1	111.2410	0.000	1	110.9017	0.289	3	110.9017	0.289	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:3:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.1820	0.000	1	111.1820	0.000	1	110.9017	0.289	3	110.9017	0.289	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:3:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H){4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.2820	0.000	1	110.2820	0.000	1	110.9017	0.289	3	110.9017	0.289	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:3:2:2:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]O[5]2)	110.9890	0.124	2	111.0648	0.029	5	111.0648	0.029	5	111.0648	0.029	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:3:2:2:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]O[5]2)	111.0920	0.000	1	111.0648	0.029	5	111.0648	0.029	5	111.0648	0.029	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:3:2:2:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{4|C<3>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	111.1270	0.286	2	111.0648	0.029	5	111.0648	0.029	5	111.0648	0.029	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[3x5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[4,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<3>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.8045	0.333	4	110.8045	0.111	4	111.4018	1.402	9	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	114.3270	0.000	1	112.0487	4.049	3	111.4018	1.402	9	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){5|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.3040	0.000	1	112.0487	4.049	3	111.4018	1.402	9	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.5150	0.000	1	112.0487	4.049	3	111.4018	1.402	9	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.6060	0.000	1	111.6060	0.000	1	111.4018	1.402	9	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.6460	0.000	1	111.6460	0.000	1	111.4018	1.402	9	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H){4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.9230	0.000	1	110.9230	0.000	1	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.8990	0.000	1	110.8990	0.000	1	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.9232	0.397	5	110.9232	0.158	5	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.2440	0.000	1	111.2440	0.000	1	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	112.2045	1.577	4	112.2045	2.487	4	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.4580	0.631	2	110.4580	0.398	2	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){3|C<4>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.0910	0.320	2	111.0910	0.102	2	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.8800	0.283	3	111.2497	0.309	6	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<4>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.6193	0.532	3	111.2497	0.309	6	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.0241	0.367	8	111.1925	1.883	100	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<5>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.8075	0.015	2	111.1925	1.883	100	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.8590	0.180	2	111.1925	1.883	100	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.7005	0.473	4	111.1925	1.883	100	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.5870	0.000	1	111.1925	1.883	100	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.2610	1.528	79	111.1925	1.883	100	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.1773	0.320	4	111.1925	1.883	100	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|S<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.9720	0.735	2	110.9720	0.541	2	111.1958	1.650	124	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]O[5]2)	114.5259	4.418	7	114.5259	19.516	7	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.7170	0.000	1	110.7170	0.000	1	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	112.2040	0.000	1	112.2040	0.000	1	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.0880	0.000	1	111.0880	0.000	1	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	111.0810	0.086	2	111.3716	1.529	26	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.5860	0.000	1	111.3716	1.529	26	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.5030	0.000	1	111.3716	1.529	26	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|B<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.8635	0.299	2	111.3716	1.529	26	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	112.0388	1.961	9	111.3716	1.529	26	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.9493	0.296	4	111.3716	1.529	26	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.2197	0.168	7	111.3716	1.529	26	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.7715	0.028	2	110.7715	0.001	2	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.0900	0.000	1	111.0900	0.000	1	111.8971	5.690	39	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.4690	0.000	1	110.4690	0.000	1	110.7860	0.201	2	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	111.1030	0.000	1	111.1030	0.000	1	110.7860	0.201	2	111.3634	2.554	177	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]O[5]2)	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	114.8970	6.370	2	114.8970	40.572	2	114.8970	40.572	2	112.5398	14.812	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,5|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	112.5398	14.812	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]O[5]2)	111.0630	0.000	1	111.0630	0.000	1	111.1245	0.008	2	112.5398	14.812	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]O[5]2)	111.1860	0.000	1	111.1860	0.000	1	111.1245	0.008	2	112.5398	14.812	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.7850	0.000	1	110.7850	0.000	1	112.2350	5.974	5	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	111.1150	0.000	1	113.8435	14.889	2	112.2350	5.974	5	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	116.5720	0.000	1	113.8435	14.889	2	112.2350	5.974	5	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	111.0600	0.000	1	111.3515	0.170	2	112.2350	5.974	5	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){2|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]O[5]2)	111.6430	0.000	1	111.3515	0.170	2	112.2350	5.974	5	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	111.0570	0.000	1	110.5427	0.139	4	110.5662	0.365	8	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.3713	0.181	3	110.5427	0.139	4	110.5662	0.365	8	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	111.1365	0.596	2	110.5898	0.711	4	110.5662	0.365	8	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.0430	0.764	2	110.5898	0.711	4	110.5662	0.365	8	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]O[5]2)	109.7640	0.000	1	109.7640	0.000	1	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]O[5]2)	115.8675	2.255	2	115.8675	5.085	2	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]O[5]2)	111.0950	0.000	1	110.9837	0.615	7	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.0595	0.450	2	110.9837	0.615	7	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]O[5]2)	111.4180	0.580	4	110.9837	0.615	7	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]O[5]2)	111.5000	0.000	1	111.5000	0.000	1	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<2>,7|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|H<1>}	H(C[5,5]C[5,5]O[5]2)	110.6995	0.194	2	110.6995	0.038	2	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]O[5]2)	117.2040	0.000	1	113.9967	15.141	3	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	112.3930	3.854	2	113.9967	15.141	3	112.0796	6.448	16	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]O[5]2)	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]O[5]2)	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	111.8343	6.055	32	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]O[5]2)	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:2:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:Si-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3)	H(C[5,5]C[5,5]O[5]2)	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3){2|C<3>,2|H<1>}	H(C[5,5]C[5,5]O[5]2)	109.8455	0.107	4	109.8455	0.011	4	109.8455	0.011	4	109.8455	0.011	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	3:4:3:1:	4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0690	0.000	1	111.3540	0.162	2	111.3540	0.162	2	111.3540	0.162	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	3:4:3:1:	4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.6390	0.000	1	111.3540	0.162	2	111.3540	0.162	2	111.3540	0.162	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	3:4:3:2:	4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	110.2520	0.495	4	110.2970	0.194	5	110.2970	0.194	5	110.2970	0.194	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	3:4:3:2:	4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	110.4770	0.000	1	110.2970	0.194	5	110.2970	0.194	5	110.2970	0.194	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.2770	0.147	2	113.2770	0.022	2	113.2770	0.022	2	112.9688	0.609	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.3525	0.117	2	113.3525	0.014	2	113.3525	0.014	2	112.9688	0.609	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]N[5]O[5])	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	112.9688	0.609	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	4:4:3:4:	4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	111.0076	0.353	5	111.0076	0.125	5	111.0076	0.125	5	111.0076	0.125	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:3:1:	6:4:4:2:	4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C[5]-4:S[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H)	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5])	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H){1|Fe<10>,3|C<4>,6|B<6>}	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5]){3|C<4>,5|B<6>,7|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:4:1:	3:4:2:1:	4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	116.2600	5.008	2	116.2600	25.077	2	116.2600	25.077	2	114.7823	19.089	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:4:1:	3:4:2:1:	4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	114.7823	19.089	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:4:1:	3:4:3:2:	4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]S[5])	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:4:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:4:1:	3:4:4:3:	4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:2:4:1:	4:3:4:1:	4:	C[5,5]-4:Se[5]-2:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H)	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]Se[5]C[5])	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5]Se[5]C[5])	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1400	0.000	1	111.1400	0.000	1	111.2150	0.011	2	111.2150	0.011	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:3:4:3:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.2900	0.000	1	111.2900	0.000	1	111.2150	0.011	2	111.2150	0.011	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH){2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.5060	0.000	1	110.5060	0.000	1	110.6445	0.038	2	110.6445	0.038	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.7830	0.000	1	110.7830	0.000	1	110.6445	0.038	2	110.6445	0.038	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.4330	0.298	2	111.4330	0.089	2	111.4330	0.089	2	111.4330	0.089	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:3:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){1|C<2>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3){1|H<1>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.1855	0.002	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:3:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	111.1855	0.002	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.6889	0.241	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.7150	0.265	4	110.8581	0.084	9	110.8581	0.084	9	110.6889	0.241	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.9726	0.279	5	110.8581	0.084	9	110.8581	0.084	9	110.6889	0.241	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	110.6889	0.241	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	110.6889	0.241	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.7370	0.057	2	110.7370	0.003	2	110.7370	0.003	2	110.6889	0.241	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.9095	0.150	4	108.9095	0.023	4	108.8600	0.029	5	108.8600	0.029	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.6620	0.000	1	108.6620	0.000	1	108.8600	0.029	5	108.8600	0.029	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]2)	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	111.6513	5.620	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	111.6513	5.620	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	110.0250	0.000	1	110.0250	0.000	1	110.3955	0.275	2	111.6513	5.620	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H){1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.7660	0.000	1	110.7660	0.000	1	110.3955	0.275	2	111.6513	5.620	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5360	0.000	1	112.5360	0.000	1	111.4370	1.134	3	111.4370	1.134	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.3650	0.000	1	111.3650	0.000	1	111.4370	1.134	3	111.4370	1.134	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H){4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.4100	0.000	1	110.4100	0.000	1	111.4370	1.134	3	111.4370	1.134	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3310	0.000	1	112.3310	0.000	1	113.9320	4.054	4	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1090	0.000	1	112.1090	0.000	1	113.9320	4.054	4	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	115.6440	0.643	2	115.6440	0.414	2	113.9320	4.054	4	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	117.7685	1.991	2	117.7685	3.962	2	112.6122	6.995	11	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|H<1>,2|F<1>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|H<1>,2|F<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.1790	0.000	1	111.4663	0.124	9	112.6122	6.995	11	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|P<3>,2|F<1>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|P<3>,2|F<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.3210	0.122	2	111.4663	0.124	9	112.6122	6.995	11	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|S<2>,2|F<1>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|S<2>,2|F<1>,3|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	111.3167	0.151	4	111.4663	0.124	9	112.6122	6.995	11	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|Se<1>,4|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|Se<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]O[5])	112.0545	0.059	2	111.4663	0.124	9	112.6122	6.995	11	112.9641	6.230	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H){1|C<3>,1|C<4>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H){1|C<3>,1|O<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	112.9776	7.033	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8835	0.452	2	110.8835	0.204	2	110.8835	0.204	2	112.9776	7.033	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H){2|C<4>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|H<1>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	112.9776	7.033	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]N[5]O[5])	116.7210	0.000	1	116.7210	0.000	1	116.7210	0.000	1	112.9776	7.033	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.6590	0.744	3	109.6590	0.554	3	109.6590	0.554	3	109.6590	0.554	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3420	0.000	1	112.3420	0.000	1	113.8905	10.761	13	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.5770	0.000	1	111.5770	0.000	1	113.8905	10.761	13	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.2570	0.190	2	112.2570	0.036	2	113.8905	10.761	13	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H){1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	114.9293	3.333	3	114.9293	11.107	3	113.8905	10.761	13	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9160	1.063	4	112.9160	1.129	4	113.8905	10.761	13	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	117.8455	7.217	2	117.8455	52.091	2	113.8905	10.761	13	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.2133	0.228	4	113.2133	0.052	4	112.3823	1.139	7	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2743	0.343	3	111.2743	0.117	3	112.3823	1.139	7	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	113.2988	7.402	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.7350	0.000	1	111.7350	0.000	1	111.6707	0.211	4	111.6707	0.211	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|O<1>,1|S<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.9350	0.000	1	111.9350	0.000	1	111.6707	0.211	4	111.6707	0.211	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0090	0.000	1	112.0090	0.000	1	111.6707	0.211	4	111.6707	0.211	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.0040	0.000	1	111.0040	0.000	1	111.6707	0.211	4	111.6707	0.211	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H){1|B<4>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	113.3850	0.000	1	113.3850	0.000	1	113.3850	0.000	1	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]C)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]C)(O[5]N[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.6590	0.000	1	111.6590	0.000	1	113.5174	6.010	9	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.3170	0.000	1	111.3170	0.000	1	113.5174	6.010	9	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	116.4305	0.452	2	116.0525	0.519	4	113.5174	6.010	9	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	115.0500	0.000	1	116.0525	0.519	4	113.5174	6.010	9	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	116.2990	0.000	1	116.0525	0.519	4	113.5174	6.010	9	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2080	0.000	1	111.2080	0.000	1	113.5174	6.010	9	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.6315	0.274	2	111.6315	0.075	2	113.5174	6.010	9	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0575	0.605	2	112.0575	0.366	2	112.0570	0.183	3	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0560	0.000	1	112.0560	0.000	1	112.0570	0.183	3	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H){1|O<1>,4|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|S<1>,3|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	112.6571	4.809	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:2:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH)	H(C[5,5]C[5,5]N[5]O[5])	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]N[5]O[5])	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]H)(COO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]H)(COO){1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:3:4:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	108.6240	0.057	2	108.6240	0.003	2	108.6240	0.003	2	108.6240	0.003	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8870	0.000	1	111.8870	0.000	1	112.1220	0.065	3	111.3187	2.624	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2395	0.218	2	112.2395	0.048	2	112.1220	0.065	3	111.3187	2.624	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:P[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	111.3187	2.624	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	110.4040	0.706	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	110.4040	0.706	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	110.4040	0.706	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	H(C[5,5]C[5,5]N[5,5]S[5])	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]S[5])	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:3:4:3:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H){1|N<3>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:3:4:4:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.2320	0.000	1	111.2320	0.000	1	111.1095	0.030	2	111.1095	0.030	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:3:4:4:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	110.9870	0.000	1	110.9870	0.000	1	111.1095	0.030	2	111.1095	0.030	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5370	0.000	1	111.5370	0.000	1	111.5370	0.000	1	112.3884	1.142	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H)	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.0980	0.071	2	112.0980	0.005	2	112.6783	1.013	3	112.3884	1.142	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	113.8390	0.000	1	113.8390	0.000	1	112.6783	1.013	3	112.3884	1.142	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-3:P[5]-3:H-1:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	H(C[5,5]C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H){4|C<3>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]P[5])	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	112.3884	1.142	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:1:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.5845	0.173	2	111.5845	0.030	2	111.5845	0.030	2	112.3884	1.142	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|C<3>,2|N<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH){1|C<4>,1|S<2>,2|C<3>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	111.5630	0.283	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,7|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.9410	0.000	1	111.8670	0.011	2	111.8670	0.011	2	111.5630	0.283	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:3:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){5|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.7930	0.000	1	111.8670	0.011	2	111.8670	0.011	2	111.5630	0.283	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|C<4>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.6640	0.000	1	111.1825	0.538	2	111.1825	0.538	2	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.7010	0.000	1	111.1825	0.538	2	111.1825	0.538	2	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.9525	0.163	2	110.9525	0.027	2	111.2787	0.332	3	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.9310	0.000	1	111.9310	0.000	1	111.2787	0.332	3	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.0070	0.000	1	112.0070	0.000	1	112.2255	0.095	2	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){2|H<1>,2|S<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.4440	0.000	1	112.4440	0.000	1	112.2255	0.095	2	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	116.2140	0.000	1	116.2140	0.000	1	112.6223	9.679	3	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	110.8265	0.091	2	110.8265	0.008	2	112.6223	9.679	3	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.7932	2.498	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]N[5])	110.7390	0.000	1	110.7390	0.000	1	110.2700	0.440	2	111.0630	0.624	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]N[5,5]N[5])	109.8010	0.000	1	109.8010	0.000	1	110.2700	0.440	2	111.0630	0.624	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	H(C[5,5]C[5,5]N[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,6]N[5])	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	111.0630	0.624	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	111.0630	0.624	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.0630	0.624	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC){1|S<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	111.0630	0.624	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){2|C<4>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6845	0.037	2	108.6845	0.001	2	108.6845	0.001	2	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.5395	0.609	2	111.5395	0.371	2	111.5395	0.371	2	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO){2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO){2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]2)	113.5905	0.498	4	113.5905	0.248	4	113.5905	0.248	4	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){1|S<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.2125	0.176	2	112.2125	0.031	2	111.6224	0.482	8	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.2490	0.000	1	110.8790	0.159	3	111.6224	0.482	8	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.6940	0.337	2	110.8790	0.159	3	111.6224	0.482	8	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO){1|N<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.1815	0.206	2	112.1815	0.042	2	111.6224	0.482	8	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){2|H<1>,2|S<4>,3|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.5540	0.000	1	111.5540	0.000	1	111.6224	0.482	8	111.7748	2.340	17	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3){1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9620	0.000	1	110.9620	0.000	1	110.9620	0.000	1	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.2670	0.684	2	111.2670	0.469	2	111.2670	0.469	2	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){2|H<1>,5|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.1500	0.000	1	112.1500	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	114.5980	0.000	1	114.5980	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.7420	0.000	1	111.7420	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.7260	0.000	1	111.7260	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.8590	0.000	1	111.8590	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.4240	0.000	1	111.4240	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.1070	0.000	1	111.1070	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.4390	0.000	1	111.4390	0.000	1	112.0056	1.197	8	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|S<2>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	110.3600	0.000	1	110.3600	0.000	1	111.9108	1.773	10	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.1555	0.527	2	111.1555	0.278	2	111.9108	1.773	10	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.1830	0.000	1	112.0330	1.497	5	111.9108	1.773	10	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.0040	0.000	1	112.0330	1.497	5	111.9108	1.773	10	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	112.6593	1.231	3	112.0330	1.497	5	111.9108	1.773	10	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.8970	0.000	1	111.8970	0.000	1	111.9108	1.773	10	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	114.3750	0.000	1	114.3750	0.000	1	111.9108	1.773	10	111.7672	1.210	24	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.7870	0.450	2	111.7870	0.202	2	111.7870	0.202	2	115.0210	14.503	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H){1|C<3>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5,5]C[5,5]C[5]N[5])	113.5790	0.000	1	113.5790	0.000	1	113.5790	0.000	1	115.0210	14.503	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	115.0210	14.503	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:2:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|H<1>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5])(H){2|C<4>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	115.0210	14.503	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H){1|N<3>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.1090	0.127	2	112.1090	0.016	2	112.1090	0.016	2	112.1090	0.016	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|C<3>,1|C<4>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	111.3420	0.290	4	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|N<3>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.8700	0.081	2	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.6283	0.451	29	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|Yb<9>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|Yb<9>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	111.7950	0.042	2	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|C<3>,1|C<4>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	111.3805	0.391	4	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	111.6787	0.580	606	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<2>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<2>}	H(C[5,5]C[5,5]N[5]2)	111.9986	0.542	12	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|Ir<4>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|Ir<4>,2|C<4>}	H(C[5,5]C[5,5]N[5]2)	112.7205	0.909	2	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|U<12>,2|C<4>,2|O<2>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|U<12>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]N[5]2)	113.4944	2.784	5	111.6961	0.400	666	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|H<1>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){2|C<4>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	111.5840	0.000	1	111.5840	0.000	1	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H){1|O<1>,2|H<1>,2|N<3>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.5540	0.000	1	112.5540	0.000	1	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){2|C<4>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|H<1>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	112.3280	0.000	1	112.3280	0.000	1	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){1|N<2>,1|N<3>,2|H<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){1|N<2>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.3090	0.153	2	112.2723	0.016	3	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){2|H<1>,2|O<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)2(H){2|H<1>,2|O<1>}	H(C[5,5]C[5,5]N[5]2)	112.1990	0.000	1	112.2723	0.016	3	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H){1|O<1>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]N[5]2)	112.5440	0.000	1	112.5440	0.000	1	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:1:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){2|N<3>,4|H<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){2|N<3>,4|H<1>}	H(C[5,5]C[5,5]N[5]2)	112.1415	0.025	2	112.1415	0.001	2	111.7033	0.399	675	111.7033	0.399	675	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:2:	4:	C[5,5]-4:C[5,6]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.2780	0.102	2	111.2780	0.010	2	111.2780	0.010	2	111.8353	0.937	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:2:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.9500	0.000	1	112.9500	0.000	1	112.9500	0.000	1	111.8353	0.937	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:3:4:	4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	H(C[5,5]N[5,6,6]C[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	H(C[5,5]N[5,6,6]C[5,5]N[5])	112.0590	0.173	2	112.0590	0.030	2	112.0590	0.030	2	112.0590	0.030	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(NOO)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(NOO){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[5,5]C[5,5]N[5]2)	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,6|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.8730	0.000	1	110.5587	0.430	6	111.0818	0.409	14	111.0818	0.409	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5]2)	110.2958	0.139	5	110.5587	0.430	6	111.0818	0.409	14	111.0818	0.409	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|S<4>,2|C<4>,2|N<3>,4|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.4170	0.136	4	111.4170	0.019	4	111.0818	0.409	14	111.0818	0.409	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,5|C<3>,7|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.3225	0.199	2	111.3225	0.039	2	111.0818	0.409	14	111.0818	0.409	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|N<3>,5|C<3>,6|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.7400	0.040	2	111.7400	0.002	2	111.0818	0.409	14	111.0818	0.409	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	111.8530	0.483	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6673	0.289	3	111.6673	0.084	3	112.0002	0.499	4	111.8530	0.483	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H){1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.9990	0.000	1	112.9990	0.000	1	112.0002	0.499	4	111.8530	0.483	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9923	0.040	3	110.9923	0.002	3	110.9923	0.002	3	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.3600	0.000	1	111.3600	0.000	1	111.8897	0.216	3	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.0780	0.000	1	112.0780	0.000	1	111.8897	0.216	3	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]2)	112.2310	0.000	1	112.2310	0.000	1	111.8897	0.216	3	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1600	0.000	1	111.1600	0.000	1	111.4480	0.166	2	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.7360	0.000	1	111.7360	0.000	1	111.4480	0.166	2	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H){2|C<4>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,6|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,5]C[5,5]N[5,5]N[5])	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.9080	0.000	1	110.9080	0.000	1	111.4255	0.536	2	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.9430	0.000	1	111.9430	0.000	1	111.4255	0.536	2	111.2792	0.398	14	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H){3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	111.6043	0.918	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	111.6043	0.918	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,3|C<3>,8|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	111.6043	0.918	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]H)(CCO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]H)(CCO){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.9610	0.000	1	111.9610	0.000	1	111.9610	0.000	1	109.7603	3.828	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H){2|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,6|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6600	0.626	2	108.6600	0.392	2	108.6600	0.392	2	109.7603	3.828	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO)	H(C[5,5]N[5,6,6]C[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO){1|C<4>,1|O<2>,1|S<2>,2|N<3>,4|H<1>,6|C<3>}	H(C[5,5]N[5,6,6]C[5,5]N[5])	111.6390	0.192	2	111.6390	0.037	2	111.6390	0.037	2	111.6390	0.037	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2790	0.000	1	111.2790	0.000	1	111.3975	0.028	2	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){2|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	111.5160	0.000	1	111.5160	0.000	1	111.3975	0.028	2	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H){3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.9850	0.000	1	111.9850	0.000	1	111.8765	0.024	2	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)2(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)2(H){1|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){2|C<3>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	111.7680	0.000	1	111.7680	0.000	1	111.8765	0.024	2	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.2000	0.672	2	110.2000	0.451	2	110.6565	0.527	4	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.4970	0.000	1	111.4970	0.000	1	110.6565	0.527	4	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|I<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.7290	0.000	1	110.7290	0.000	1	110.6565	0.527	4	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.9970	0.000	1	110.9970	0.000	1	110.9970	0.000	1	110.8915	0.986	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.2177	0.369	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:3:1:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	109.7200	0.023	2	109.7200	0.001	2	109.9720	0.191	3	110.2177	0.369	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:3:1:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.4760	0.000	1	110.4760	0.000	1	109.9720	0.191	3	110.2177	0.369	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH){1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	95.0211	0.000	1	95.0211	0.000	1	95.0211	0.000	1	95.0211	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.3280	0.075	2	110.3280	0.006	2	110.3280	0.006	2	110.3873	0.013	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	110.3873	0.013	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6900	0.123	4	108.6900	0.015	4	108.6900	0.015	4	109.7153	0.868	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){2|C<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.3582	0.110	4	110.3582	0.012	4	110.3011	0.338	7	109.7153	0.868	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.0840	0.000	1	109.9745	1.586	2	110.3011	0.338	7	109.7153	0.868	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.8650	0.000	1	109.9745	1.586	2	110.3011	0.338	7	109.7153	0.868	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.7260	0.000	1	110.7260	0.000	1	110.3011	0.338	7	109.7153	0.868	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.6700	0.278	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.6355	0.124	2	110.6355	0.015	2	110.4562	0.190	4	110.6700	0.278	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,1|S<4>,6|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.8150	0.000	1	109.8150	0.000	1	110.4562	0.190	4	110.6700	0.278	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.7390	0.000	1	110.7390	0.000	1	110.4562	0.190	4	110.6700	0.278	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]N[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5]2)	111.2795	0.194	2	111.2795	0.038	2	111.2795	0.038	2	110.6700	0.278	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:N[5,6]-3:C[5]-4:H-1:	C[5,5]-4:Se[5]-2:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5,6]C[5])	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]N[5,6]C[5])	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-3:S[5]-4:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(S[5]N[5]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]S[5])	114.8610	0.000	1	114.8610	0.000	1	114.8610	0.000	1	114.8610	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a])	H(C[5,5]C[5,6a]C[5,5]2)	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a]){1|C<4>,2|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[5,5]2)	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	111.8868	2.983	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H){1|C<4>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.9130	0.000	1	112.9130	0.000	1	112.7463	0.041	3	111.8868	2.983	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.6630	0.202	2	112.6630	0.041	2	112.7463	0.041	3	111.8868	2.983	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.4742	0.992	4	110.4742	0.984	4	110.4742	0.984	4	110.4742	0.984	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[3x5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	H(C[5,5]C[5,6a]C[3x5]C[5,5])	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5,5])	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H){11|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0430	0.158	2	110.0430	0.025	2	110.0430	0.025	2	110.0430	0.025	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.0678	0.348	4	111.0678	0.121	4	111.3164	0.400	5	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.3110	0.000	1	112.3110	0.000	1	111.3164	0.400	5	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.5270	0.000	1	110.5270	0.000	1	110.3968	0.194	6	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.8150	0.000	1	110.8150	0.000	1	110.3968	0.194	6	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.1465	0.680	2	110.1465	0.462	2	110.3968	0.194	6	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.6820	0.000	1	110.6820	0.000	1	110.3968	0.194	6	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.0640	0.000	1	110.0640	0.000	1	110.3968	0.194	6	111.0512	1.114	12	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	B[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3800	0.492	2	110.3800	0.242	2	110.3800	0.242	2	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.5310	0.112	2	110.5310	0.012	2	109.3945	0.556	11	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.8480	0.000	1	109.1108	0.455	6	109.3945	0.556	11	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.5480	0.068	2	109.1108	0.455	6	109.3945	0.556	11	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.5737	0.680	3	109.1108	0.455	6	109.3945	0.556	11	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.1180	0.000	1	109.2043	0.048	3	109.3945	0.556	11	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.2475	0.292	2	109.2043	0.048	3	109.3945	0.556	11	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	112.4755	0.074	2	112.4755	0.006	2	112.1560	0.309	3	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	111.5170	0.000	1	111.5170	0.000	1	112.1560	0.309	3	110.0355	1.644	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]N[5]C)(C[5]O[5]O)(CC[6a]O)	H(C[5,5]C[5,6a]C[5,5]2)	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]N[5]C)(C[5]O[5]O)(CC[6a]O){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]2)	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	111.2173	2.848	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]N[5]H)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]N[5]H)(COO){1|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.1310	0.000	1	112.1310	0.000	1	112.1910	0.007	2	111.2173	2.848	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(N[5]N[5]H)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(N[5]N[5]H)(COO){1|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2510	0.000	1	112.2510	0.000	1	112.1910	0.007	2	111.2173	2.848	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H){2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	110.5391	8.577	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	110.5391	8.577	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H){2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	110.5391	8.577	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.0210	0.000	1	110.0210	0.000	1	110.4920	0.444	2	110.5391	8.577	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.9630	0.000	1	110.9630	0.000	1	110.4920	0.444	2	110.5391	8.577	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	108.9290	0.030	2	108.9290	0.001	2	108.9290	0.001	2	110.5391	8.577	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9380	0.902	2	109.9380	0.814	2	109.9380	0.814	2	109.9380	0.814	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2	H(C[5,5]C[4,5,5,6]C[5,5]H)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2{1|C<2>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5]H)	111.9805	0.388	2	111.9805	0.151	2	111.9805	0.151	2	111.9321	0.130	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2{1|C<2>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	111.8665	0.385	2	111.8665	0.149	2	111.8665	0.149	2	111.9321	0.130	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	111.9407	0.447	4	111.9407	0.200	4	111.9407	0.200	4	111.9321	0.130	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2{1|O<1>,3|C<4>}	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	109.3775	0.415	2	109.3775	0.172	2	109.3775	0.172	2	109.3775	0.172	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2{1|O<2>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H){5|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	111.9270	0.034	2	111.9270	0.001	2	111.9270	0.001	2	111.9270	0.001	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.4060	0.000	1	110.8553	0.284	3	110.8553	0.284	3	110.9462	0.165	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0800	0.515	2	110.8553	0.284	3	110.8553	0.284	3	110.9462	0.165	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9620	0.000	1	111.0825	0.029	2	111.0825	0.029	2	110.9462	0.165	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2030	0.000	1	111.0825	0.029	2	111.0825	0.029	2	110.9462	0.165	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|H<1>,1|N<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.0600	0.000	1	113.0600	0.000	1	113.0600	0.000	1	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H)	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>}	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.6125	0.566	4	111.6125	0.321	4	111.6030	0.204	6	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5840	0.238	2	111.5840	0.056	2	111.6030	0.204	6	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){1|C<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.4430	0.282	4	111.1666	0.183	14	111.3348	0.314	17	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.0560	0.436	10	111.1666	0.183	14	111.3348	0.314	17	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8745	0.200	2	111.8745	0.040	2	111.3348	0.314	17	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.6110	0.000	1	112.6110	0.000	1	111.3348	0.314	17	111.4397	0.400	26	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.1265	0.066	2	111.3993	0.225	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9450	0.000	1	111.3993	0.225	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.3490	0.000	1	111.3053	0.129	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2835	0.506	2	111.3053	0.129	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9800	0.000	1	113.1810	9.060	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<6>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.7815	3.994	2	113.1810	9.060	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<4>,1|C<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.6527	0.239	4	111.7520	0.092	5	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1490	0.000	1	111.7520	0.092	5	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<4>,1|C<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5265	0.200	2	111.6897	0.100	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<8>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0160	0.000	1	111.6897	0.100	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7535	1.626	2	112.0653	1.613	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6890	0.000	1	112.0653	1.613	3	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0685	0.047	2	111.0685	0.002	2	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5780	0.000	1	111.5780	0.000	1	111.7999	1.406	23	111.7999	1.406	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.9705	0.217	2	111.9705	0.047	2	111.9705	0.047	2	111.9705	0.047	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[3x5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[3x5]C[5,5]O[5])	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>}	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[3x5]C[5,5]O[5])	113.3650	0.000	1	113.3650	0.000	1	113.3650	0.000	1	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[4,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	H(C[5,5]C[4,5]C[5,5]O[5])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[4,5]C[5,5]O[5])	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	113.1707	0.228	3	113.1707	0.052	3	112.9590	0.095	8	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]2O[5])	113.2340	0.000	1	112.8227	0.154	3	112.9590	0.095	8	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	112.4510	0.000	1	112.8227	0.154	3	112.9590	0.095	8	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	112.7830	0.000	1	112.8227	0.154	3	112.9590	0.095	8	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	112.7080	0.000	1	112.7080	0.000	1	112.9590	0.095	8	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	112.9840	0.000	1	112.9840	0.000	1	112.9590	0.095	8	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<3>}	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H){4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9200	0.000	1	112.9200	0.000	1	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3950	0.000	1	112.3950	0.000	1	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.6310	0.281	5	112.6310	0.079	5	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5000	0.000	1	112.5000	0.000	1	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.2233	2.249	4	113.2233	5.060	4	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.0510	0.348	2	113.0510	0.121	2	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3595	0.555	2	112.3595	0.308	2	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<4>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.0947	0.763	3	112.9187	0.274	6	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.7427	0.100	3	112.9187	0.274	6	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.0864	0.907	8	112.8942	0.766	99	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<5>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.0750	0.000	1	112.8942	0.766	99	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.5765	0.560	4	112.8942	0.766	99	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9630	0.791	79	112.8942	0.766	99	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.5478	0.602	4	112.8942	0.766	99	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1560	0.000	1	112.8942	0.766	99	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.0145	1.230	2	112.8942	0.766	99	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|S<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.0630	0.216	2	113.0630	0.047	2	112.8850	0.772	123	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.0780	0.000	1	113.0780	0.000	1	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7150	0.000	1	112.7150	0.000	1	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.0170	0.000	1	113.0170	0.000	1	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.7353	2.470	7	113.7353	6.101	7	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|B<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.1005	0.149	2	112.8476	0.265	27	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.2790	0.000	1	112.8476	0.265	27	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.1154	0.398	9	112.8476	0.265	27	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.5700	0.484	2	112.8476	0.265	27	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.6133	0.711	4	112.8476	0.265	27	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7970	0.238	8	112.8476	0.265	27	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.3980	0.000	1	112.8476	0.265	27	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.7385	0.037	2	113.7385	0.001	2	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.3440	0.000	1	113.3440	0.000	1	113.0666	1.257	40	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.3210	0.000	1	111.3210	0.000	1	111.9380	0.761	2	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5550	0.000	1	112.5550	0.000	1	111.9380	0.761	2	112.9208	0.846	176	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:3:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7670	0.201	6	112.7670	0.040	6	112.7670	0.040	6	112.7670	0.040	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF){1|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.1630	0.000	1	113.1630	0.000	1	112.9442	0.040	5	112.9057	0.036	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9280	0.000	1	112.9280	0.000	1	112.9442	0.040	5	112.9057	0.036	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9785	0.185	2	112.8767	0.048	3	112.9442	0.040	5	112.9057	0.036	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.6730	0.000	1	112.8767	0.048	3	112.9442	0.040	5	112.9057	0.036	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:4:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.6840	0.000	1	112.6840	0.000	1	112.8095	0.032	2	112.9057	0.036	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:2:4:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.9350	0.000	1	112.9350	0.000	1	112.8095	0.032	2	112.9057	0.036	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	111.5615	0.025	2	111.5615	0.001	2	111.5615	0.001	2	111.3962	0.294	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	110.8655	0.155	2	110.8655	0.024	2	110.8655	0.024	2	111.3962	0.294	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	111.3962	0.294	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.1320	0.000	1	113.1320	0.000	1	113.3940	1.756	13	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H){1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	114.7243	1.242	3	114.7243	1.544	3	113.3940	1.756	13	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5000	0.000	1	112.5000	0.000	1	113.3940	1.756	13	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2690	0.140	2	112.2690	0.020	2	113.3940	1.756	13	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.6598	0.760	4	113.6598	0.578	4	113.3940	1.756	13	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5700	2.425	2	112.5700	5.882	2	113.3940	1.756	13	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.0840	0.263	4	112.0840	0.069	4	112.2913	0.428	7	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H){1|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.5677	0.990	3	112.5677	0.980	3	112.2913	0.428	7	112.9760	1.480	21	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.8950	0.000	1	110.8950	0.000	1	110.8950	0.000	1	112.8413	3.747	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1810	0.000	1	112.1810	0.000	1	113.1193	3.650	7	112.8413	3.747	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<2>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2240	0.000	1	111.2240	0.000	1	113.1193	3.650	7	112.8413	3.747	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.3083	1.173	3	113.3083	1.375	3	113.1193	3.650	7	112.8413	3.747	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8030	0.000	1	111.8030	0.000	1	113.1193	3.650	7	112.8413	3.747	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	116.7020	0.000	1	116.7020	0.000	1	113.1193	3.650	7	112.8413	3.747	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]2O[5])	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	112.4500	7.161	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.2203	3.416	3	113.2203	11.668	3	112.9025	8.183	4	112.4500	7.161	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H){1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9490	0.000	1	111.9490	0.000	1	112.9025	8.183	4	112.4500	7.161	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]2O[5])	112.9710	0.000	1	112.9710	0.000	1	112.6300	2.646	6	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	112.8080	0.000	1	112.8080	0.000	1	112.6300	2.646	6	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	111.8230	0.000	1	111.8230	0.000	1	112.6300	2.646	6	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2O[5])	114.1410	0.625	2	114.1410	0.391	2	112.6300	2.646	6	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	109.8960	0.000	1	109.8960	0.000	1	112.6300	2.646	6	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.3280	0.000	1	111.3280	0.000	1	111.2903	0.053	6	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2828	0.257	5	111.2828	0.066	5	111.2903	0.053	6	112.2981	3.058	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[5,5]-4:O-2:H-1:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2	H(C[5,5]C[4,5,5,6]C[5,5]O)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2{1|O<1>,3|C<4>}	H(C[5,5]C[4,5,5,6]C[5,5]O)	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[3,5]C[5,5]O[5])	113.7280	0.000	1	113.7280	0.000	1	112.9783	0.268	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<4>,4|C<3>}	H(C[5,5]C[3,5]C[5,5]O[5])	112.7825	0.193	2	112.7283	0.027	3	112.9783	0.268	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|F<1>,3|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>}	H(C[5,5]C[3,5]C[5,5]O[5])	112.6200	0.000	1	112.7283	0.027	3	112.9783	0.268	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	112.0755	0.162	4	112.0755	0.026	4	112.0755	0.026	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	113.0830	0.181	4	113.0830	0.033	4	113.0830	0.033	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){5|C<4>}	H(C[5,5]C[5,5]2O[5])	111.3270	0.000	1	111.3270	0.000	1	112.1450	0.621	6	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]2O[5])	112.1980	0.000	1	112.5700	0.277	2	112.1450	0.621	6	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	112.9420	0.000	1	112.5700	0.277	2	112.1450	0.621	6	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]2O[5])	112.8340	0.000	1	112.8340	0.000	1	112.1450	0.621	6	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]2O[5])	111.0560	0.000	1	111.7845	1.061	2	112.1450	0.621	6	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]2O[5])	112.5130	0.000	1	111.7845	1.061	2	112.1450	0.621	6	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	112.7240	0.000	1	112.7240	0.000	1	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	112.0665	0.650	2	112.0665	0.422	2	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){1|N<3>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]2O[5])	113.0240	0.000	1	113.0240	0.000	1	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]2O[5])	112.8810	0.000	1	112.8810	0.000	1	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	113.6705	0.255	2	113.1053	0.991	3	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<7>,1|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	111.9750	0.000	1	113.1053	0.991	3	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	109.8880	0.000	1	112.6430	2.681	7	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]2O[5])	113.0415	1.013	2	112.6430	2.681	7	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,5]C[5,5]2O[5])	114.9380	0.000	1	112.6430	2.681	7	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	113.3690	0.000	1	112.6430	2.681	7	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	111.4820	0.000	1	112.6430	2.681	7	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]2O[5])	112.7410	0.000	1	112.6430	2.681	7	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	112.0380	0.000	1	112.0380	0.000	1	112.6636	1.358	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7750	0.000	1	112.7750	0.000	1	112.7395	0.003	2	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7040	0.000	1	112.7040	0.000	1	112.7395	0.003	2	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7870	0.000	1	112.7870	0.000	1	113.6165	1.376	2	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	114.4460	0.000	1	114.4460	0.000	1	113.6165	1.376	2	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|F<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.7195	0.248	2	111.1195	0.510	4	111.1195	0.510	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5195	0.169	2	111.1195	0.510	4	111.1195	0.510	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9010	0.000	1	110.9010	0.000	1	112.2022	0.782	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>}	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|F<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7930	0.000	1	112.6360	0.045	3	112.2022	0.782	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<4>,4|C<3>}	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5575	0.228	2	112.6360	0.045	3	112.2022	0.782	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){1|N<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0500	0.000	1	112.0500	0.000	1	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.2690	0.000	1	112.2690	0.000	1	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.7160	0.000	1	110.7160	0.000	1	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.5145	0.974	2	111.8269	1.158	7	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2850	0.000	1	111.8269	1.158	7	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.1910	0.000	1	111.8269	1.158	7	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.9800	0.000	1	111.8269	1.158	7	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.1990	0.000	1	111.8269	1.158	7	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1040	0.000	1	111.8269	1.158	7	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0760	0.000	1	112.0760	0.000	1	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0050	0.171	2	112.0050	0.029	2	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.2480	1.130	2	112.8203	1.187	3	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<7>,1|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.9650	0.000	1	112.8203	1.187	3	112.0231	0.887	16	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|F<1>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4795	0.581	2	111.3047	0.155	4	111.3047	0.155	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.1300	0.068	2	111.3047	0.155	4	111.3047	0.155	4	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.5780	0.000	1	113.5780	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9640	0.061	2	112.9640	0.004	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3740	0.000	1	112.3740	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7515	0.006	2	111.7515	0.000	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9840	0.000	1	111.9840	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.3990	0.000	1	113.3990	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1980	0.520	2	112.1980	0.271	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2835	1.303	2	111.2835	1.698	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0820	0.000	1	112.0820	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.8500	0.000	1	112.0345	0.068	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2190	0.000	1	112.0345	0.068	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.8760	0.000	1	111.8220	0.006	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7680	0.000	1	111.8220	0.006	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7450	0.304	2	112.7450	0.092	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.6760	0.000	1	111.6760	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2742	0.544	4	112.2742	0.296	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.1100	0.000	1	112.4883	0.308	7	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3847	0.528	6	112.4883	0.308	7	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.7420	0.000	1	114.7420	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	110.4090	0.000	1	110.4090	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.5490	0.000	1	111.4415	1.593	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3340	0.000	1	111.4415	1.593	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8090	0.000	1	110.9220	1.574	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.0350	0.000	1	110.9220	1.574	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9750	0.000	1	112.0416	0.218	7	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0527	0.510	6	112.0416	0.218	7	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	109.1610	0.000	1	109.1610	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.7740	0.498	2	111.9649	1.872	28	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6585	0.706	2	111.9649	1.872	28	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.4580	0.829	2	111.9649	1.872	28	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.9780	0.395	2	111.9649	1.872	28	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9566	1.680	16	111.9649	1.872	28	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.9935	0.885	4	111.9649	1.872	28	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9560	0.000	1	110.9560	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2790	0.006	2	112.2790	0.000	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.7913	0.863	4	110.8110	0.511	6	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<4>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8505	0.564	2	110.8110	0.511	6	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H){2|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H){2|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3230	0.537	11	112.3230	0.288	11	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4638	0.577	8	111.4638	0.333	8	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.6777	0.162	3	112.6777	0.026	3	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9370	0.000	1	110.9370	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5140	0.000	1	112.5140	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.8430	0.274	3	111.8430	0.075	3	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5940	0.000	1	112.4740	0.029	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3540	0.000	1	112.4740	0.029	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	115.1175	2.273	2	115.1175	5.168	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.8290	0.000	1	112.8290	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.0670	0.000	1	112.8552	1.025	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4513	0.747	3	112.8552	1.025	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9930	0.000	1	112.9930	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.2960	0.127	4	112.2960	0.016	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.8125	0.231	2	112.8125	0.053	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.9210	0.004	2	112.0020	0.041	10	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0222	0.225	8	112.0020	0.041	10	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.6608	1.322	4	111.5516	1.370	5	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.1150	0.000	1	111.5516	1.370	5	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	114.8570	0.000	1	114.8570	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.6130	0.339	3	111.6130	0.115	3	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9006	1.143	5	111.9043	1.045	6	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.9230	0.000	1	111.9043	1.045	6	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0343	1.310	3	112.0343	1.715	3	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7095	0.357	2	112.7095	0.128	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7177	0.091	4	111.7177	0.008	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.7860	0.000	1	112.7152	1.650	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.0250	1.378	3	112.7152	1.650	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.9910	0.000	1	113.0510	0.007	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]C[5]O[5])	113.1110	0.000	1	113.0510	0.007	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4183	0.817	3	112.4183	0.667	3	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.2560	0.441	2	112.2560	0.195	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.9810	0.000	1	111.9810	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.7820	0.000	1	111.9820	0.080	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1820	0.000	1	111.9820	0.080	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.2100	0.000	1	113.2100	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.6970	0.000	1	112.6970	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.7100	0.000	1	112.7100	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.8665	3.912	2	111.8665	15.307	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1990	0.000	1	111.6778	1.443	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.5040	1.409	3	111.6778	1.443	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0040	0.425	3	112.0040	0.181	3	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.6420	0.000	1	112.7375	0.018	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.8330	0.000	1	112.7375	0.018	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0400	0.000	1	112.0400	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3005	1.012	2	112.3005	1.024	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3049	0.731	10	112.3049	0.535	10	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1810	0.000	1	112.1810	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.7575	0.045	2	111.7575	0.002	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	116.0960	0.000	1	113.2920	5.707	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3573	1.822	3	113.2920	5.707	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.1210	1.459	2	113.1210	2.130	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1060	0.000	1	112.1060	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.9380	0.000	1	113.9380	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.0410	0.000	1	113.0410	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	115.5350	0.164	2	115.5350	0.027	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.4990	0.000	1	111.4990	0.000	1	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4455	1.064	2	112.4455	1.133	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5675	0.078	2	112.5675	0.006	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.6552	0.951	4	111.6552	0.904	4	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4760	0.078	2	112.4760	0.006	2	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0470	0.587	10	112.0470	0.344	10	112.1808	1.191	235	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H){1|H<1>,2|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H){2|C<4>,2|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0940	0.000	1	111.0940	0.000	1	112.1937	1.195	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0420	0.000	1	112.0420	0.000	1	112.1937	1.195	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.6830	0.000	1	111.6830	0.000	1	112.1937	1.195	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0107	0.342	3	112.0107	0.117	3	112.1937	1.195	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|N<3>,3|C<4>}	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.5050	0.000	1	114.5050	0.000	1	112.1937	1.195	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.3530	0.000	1	113.3530	0.000	1	113.8525	0.499	2	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	114.3520	0.000	1	114.3520	0.000	1	113.8525	0.499	2	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H){2|C<4>,2|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H){1|H<1>,2|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	110.4990	0.000	1	110.4990	0.000	1	112.1283	1.902	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.3840	0.000	1	111.3840	0.000	1	112.1283	1.902	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.3450	0.000	1	112.3450	0.000	1	112.1283	1.902	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.9053	0.112	3	111.9053	0.012	3	112.1283	1.902	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|N<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	114.9540	0.000	1	114.9540	0.000	1	112.1283	1.902	7	112.2147	1.167	317	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]Ru)(C[5,5]C[5,5]O[5]H)(O[5]C[5])2	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Ru)(C[5,5]C[5,5]O[5]H)(O[5]C[5])2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	112.0335	0.589	2	112.0335	0.347	2	112.0335	0.347	2	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]RuC)(O[5]C[5])2	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<7>,1|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]RuC)(O[5]C[5])2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	111.8520	0.000	1	111.8520	0.000	1	111.6813	0.352	3	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]2O[5])	111.5960	0.813	2	111.5960	0.661	2	111.6813	0.352	3	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.6660	0.000	1	110.6660	0.000	1	112.5693	2.771	3	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.2890	0.000	1	113.2890	0.000	1	112.5693	2.771	3	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.7530	0.000	1	113.7530	0.000	1	112.5693	2.771	3	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H){1|N<2>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.5210	0.000	1	112.5210	0.000	1	112.3310	0.077	3	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2360	0.315	2	112.2360	0.099	2	112.3310	0.077	3	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5])	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5]){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	112.2577	0.723	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO)	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO){2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	112.1953	0.251	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){1|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3860	0.000	1	112.3836	0.048	5	112.3836	0.048	5	112.1953	0.251	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){4|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5885	0.118	2	112.3836	0.048	5	112.3836	0.048	5	112.1953	0.251	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){3|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1775	0.105	2	112.3836	0.048	5	112.3836	0.048	5	112.1953	0.251	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1720	0.000	1	112.1720	0.000	1	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8000	0.017	2	111.8000	0.000	2	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.6515	0.579	6	111.6515	0.335	6	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0983	0.129	3	112.0983	0.017	3	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.8820	0.000	1	112.8820	0.000	1	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5590	0.403	2	112.5590	0.162	2	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3){2|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.4680	0.000	1	112.4680	0.000	1	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.1570	0.000	1	111.1570	0.000	1	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	114.6860	0.000	1	114.6860	0.000	1	112.1271	0.706	18	112.0867	0.697	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	H(C[5,5]C[5,5]2O[5])	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]2O[5])	112.6720	0.000	1	112.6720	0.000	1	112.6720	0.000	1	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2360	0.000	1	111.2360	0.000	1	112.5925	8.109	8	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	110.2900	0.457	2	110.2900	0.209	2	112.5925	8.109	8	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.5170	0.000	1	110.5170	0.000	1	112.5925	8.109	8	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H){2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	118.0650	0.000	1	118.0650	0.000	1	112.5925	8.109	8	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,2|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.4010	0.000	1	112.4010	0.000	1	112.5925	8.109	8	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	115.7060	0.000	1	115.7060	0.000	1	112.5925	8.109	8	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.2350	0.000	1	112.2350	0.000	1	112.5925	8.109	8	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5260	0.000	1	111.5260	0.000	1	111.3295	0.668	4	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.1560	0.000	1	110.1560	0.000	1	111.3295	0.668	4	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5810	0.000	1	111.5810	0.000	1	111.3295	0.668	4	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0550	0.000	1	112.0550	0.000	1	111.3295	0.668	4	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.3000	0.000	1	110.3000	0.000	1	111.3427	1.538	3	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7140	0.000	1	112.7140	0.000	1	111.3427	1.538	3	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0140	0.000	1	111.0140	0.000	1	111.3427	1.538	3	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H){1|S<1>,5|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|S<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	111.8362	4.082	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.6130	0.000	1	113.6130	0.000	1	112.6613	0.680	3	112.5115	0.543	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1855	0.040	2	112.1855	0.002	2	112.6613	0.680	3	112.5115	0.543	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0620	0.000	1	112.0620	0.000	1	112.0620	0.000	1	112.5115	0.543	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(COO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(COO){1|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]2O[5])	110.8100	0.144	2	110.8100	0.021	2	110.8100	0.021	2	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]2O[5])	116.0640	0.000	1	116.0640	0.000	1	113.5850	4.692	3	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]2O[5])	112.0570	0.000	1	112.0570	0.000	1	113.5850	4.692	3	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]2O[5])	112.6340	0.000	1	112.6340	0.000	1	113.5850	4.692	3	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H){1|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]N[5])	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H)	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9390	0.000	1	110.9390	0.000	1	113.0962	3.028	5	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3810	0.000	2	113.6355	2.098	4	113.0962	3.028	5	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.8900	0.000	2	113.6355	2.098	4	113.0962	3.028	5	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H)	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H){2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3490	0.000	1	112.3490	0.000	1	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9305	0.100	2	110.9305	0.010	2	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.9900	0.000	1	112.9900	0.000	1	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.9020	0.000	1	113.9460	4.858	3	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.4680	2.843	2	113.9460	4.858	3	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4490	0.185	6	111.4490	0.034	6	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.2330	0.000	1	110.2330	0.000	1	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5050	0.000	1	111.5050	0.000	1	111.9647	2.130	15	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0240	0.000	1	111.0240	0.000	1	111.6912	1.620	6	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7645	1.580	4	111.7645	2.497	4	111.6912	1.620	6	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0650	0.000	1	112.0650	0.000	1	111.6912	1.620	6	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	109.8905	0.757	2	110.3472	0.158	29	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.6520	0.000	1	110.3472	0.158	29	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.5087	0.495	4	110.3472	0.158	29	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.3455	0.345	22	110.3472	0.158	29	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.7350	0.000	1	110.7350	0.000	1	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|C<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.3350	0.000	1	110.3196	0.323	5	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|N<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.1090	0.000	1	110.3196	0.323	5	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8350	0.134	2	110.3196	0.323	5	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){3|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	109.4840	0.000	1	110.3196	0.323	5	110.3544	0.172	35	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5,6]N[5])	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	111.2048	2.079	70	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|F<1>,1|N<3>,7|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	110.9410	0.000	1	110.9410	0.000	1	113.6285	14.445	2	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|N<3>,8|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	116.3160	0.000	1	116.3160	0.000	1	113.6285	14.445	2	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H)	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.7355	1.063	2	110.7355	1.130	2	110.7355	1.130	2	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5]){5|C<4>,8|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4280	0.000	1	111.4280	0.000	1	111.3923	0.001	3	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,5|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.3745	0.019	2	111.3745	0.000	2	111.3923	0.001	3	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	109.6990	0.133	2	109.6990	0.018	2	110.0827	0.450	3	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|F<1>,1|N<3>,6|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH){1|F<1>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8500	0.000	1	110.8500	0.000	1	110.0827	0.450	3	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5])	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5]){4|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	111.2725	3.263	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C)	H(C[5,5]C[5,5]2O[5])	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2O[5])	113.0600	0.000	1	113.0600	0.000	1	113.0600	0.000	1	113.0600	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2N[5,6])(C[5,5]C[5]2C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5,6]C[5,5]O[5])	C[5,5](C[5,5,6]C[5,6]2N[5,6])(C[5,5]C[5]2C)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,5]O[5])	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	111.1840	0.888	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.0960	0.000	1	110.0960	0.000	1	110.9195	1.356	2	111.1840	0.888	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]N[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7430	0.000	1	111.7430	0.000	1	110.9195	1.356	2	111.1840	0.888	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,6|C<3>}	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	H(C[5,5]C[5,5]2C[5])	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H){1|S<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0700	0.417	2	111.1973	0.136	3	110.9735	0.276	6	111.0771	0.305	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4520	0.000	1	111.1973	0.136	3	110.9735	0.276	6	111.0771	0.305	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7497	0.635	3	110.7497	0.403	3	110.9735	0.276	6	111.0771	0.305	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H){1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	111.0771	0.305	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	N[5,6]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>}	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]2C[5])	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	110.5681	0.798	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.5681	0.798	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8250	0.000	1	110.8250	0.000	1	111.2610	0.380	2	110.5681	0.798	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.6970	0.000	1	111.6970	0.000	1	111.2610	0.380	2	110.5681	0.798	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	110.5681	0.798	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){2|C<3>,2|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	110.5681	0.798	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	110.2150	0.109	2	110.2150	0.012	2	110.2150	0.012	2	110.5681	0.798	8	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H){1|N<3>,1|S<1>,3|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	111.2830	1.365	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH){4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	111.2830	1.365	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	111.2830	1.365	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.0940	0.000	1	110.7205	0.785	2	110.7205	0.785	2	110.6247	0.374	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]2C[5])	111.3470	0.000	1	110.7205	0.785	2	110.7205	0.785	2	110.6247	0.374	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.1605	0.456	2	110.1605	0.208	2	110.1605	0.208	2	110.6247	0.374	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]2C[5])	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	110.6247	0.374	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>}	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]2C[5])	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	110.6247	0.374	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5830	0.086	6	110.5830	0.007	6	110.6921	0.049	8	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9120	0.000	1	110.9120	0.000	1	110.6921	0.049	8	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1270	0.000	1	111.1270	0.000	1	110.6921	0.049	8	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8750	0.000	1	110.8750	0.000	1	110.4380	0.382	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.0010	0.000	1	110.0010	0.000	1	110.4380	0.382	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H)	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.8480	0.000	1	111.8480	0.000	1	111.3485	0.499	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H)	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	110.8490	0.000	1	110.8490	0.000	1	111.3485	0.499	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.5510	0.000	1	111.5510	0.000	1	110.9450	0.734	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.3390	0.000	1	110.3390	0.000	1	110.9450	0.734	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.7960	0.000	1	110.7960	0.000	1	110.9425	0.043	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.0890	0.000	1	111.0890	0.000	1	110.9425	0.043	2	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	110.8195	0.201	18	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H){3|H<1>,5|C<3>}	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	H(C[5,5]C[5,5]2C[5])	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.9740	1.283	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5,5]C[5,5]2N[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]2N[5])	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	110.9740	1.283	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.5040	2.285	2	110.5040	5.223	2	110.5040	5.223	2	111.5146	2.160	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	111.5146	2.160	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.2850	0.000	1	112.2850	0.000	1	112.2200	0.008	2	111.5146	2.160	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.1550	0.000	1	112.1550	0.000	1	112.2200	0.008	2	111.5146	2.160	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:2:2:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]2C[5])	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:2:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]2C[5])	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|O<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.4930	0.000	1	112.4930	0.000	1	113.3619	2.741	9	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	115.2645	2.399	2	114.7155	2.413	4	113.3619	2.741	9	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	113.7940	0.000	1	114.7155	2.413	4	113.3619	2.741	9	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	114.5390	0.000	1	114.7155	2.413	4	113.3619	2.741	9	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.9600	0.000	1	111.9600	0.000	1	113.3619	2.741	9	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.8775	0.446	2	111.8775	0.199	2	113.3619	2.741	9	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]C)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]C)(O[5]N[5])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.1870	0.000	1	113.1870	0.000	1	113.3619	2.741	9	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H){1|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]O)(N[5]N[5])(H){1|B<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	115.3290	0.000	1	115.3290	0.000	1	115.3290	0.000	1	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.5980	0.604	2	112.5980	0.365	2	112.3497	0.367	3	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.8530	0.000	1	111.8530	0.000	1	112.3497	0.367	3	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|S<1>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	112.6679	2.810	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	108.3155	0.305	2	108.3155	0.093	2	108.3155	0.093	2	108.3155	0.093	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	H(C[5,5]C[5,5]2C[5])	110.7635	0.960	2	110.7635	0.921	2	110.7635	0.921	2	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H){2|C<4>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]2C[5])	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8730	0.000	1	110.8730	0.000	1	110.9333	0.005	3	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0060	0.000	1	111.0060	0.000	1	110.9333	0.005	3	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9210	0.000	1	110.9210	0.000	1	110.9333	0.005	3	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9430	0.000	1	110.9430	0.000	1	110.8415	0.021	2	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7400	0.000	1	110.7400	0.000	1	110.8415	0.021	2	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.1920	0.000	1	112.1920	0.000	1	111.5065	0.940	2	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.8210	0.000	1	110.8210	0.000	1	111.5065	0.940	2	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	111.0031	0.304	13	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:2:	4:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(S[5]N[5]OO)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(S[5]N[5]OO)(C[5]N[5]C)(H){1|N<3>,2|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	111.4520	1.708	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:2:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	111.4520	1.708	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]2C[5])	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.3090	0.000	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	111.3090	0.000	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:3:4:	4:	P[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:	C[5,5](P[5]C[6a]C[5]W)(C[5,5]C[5]2C)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(C[5,5]C[5,5]C[5]P[5])	C[5,5](P[5]C[6a]C[5]W)(C[5,5]C[5]2C)(C[5]C[5]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	H(C[5,5]C[5,5]C[5]P[5])	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	B[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H)	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	111.6555	0.223	2	111.6555	0.050	2	111.6555	0.050	2	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]2C[5])	110.1675	0.401	2	110.1675	0.161	2	110.7516	0.618	11	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	109.6020	0.000	1	110.8960	1.011	6	110.7516	0.618	11	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	111.4810	1.057	3	110.8960	1.011	6	110.7516	0.618	11	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	110.6655	0.124	2	110.8960	1.011	6	110.7516	0.618	11	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	111.0390	0.000	1	110.8523	0.063	3	110.7516	0.618	11	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.7590	0.270	2	110.8523	0.063	3	110.7516	0.618	11	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H)	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.6275	0.121	2	111.6275	0.015	2	112.0103	0.447	3	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	112.7760	0.000	1	112.7760	0.000	1	112.0103	0.447	3	111.1006	0.771	16	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	110.1053	0.055	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	110.1053	0.055	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S){5|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	110.1053	0.055	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9760	0.211	2	110.9760	0.044	2	110.9760	0.044	2	111.0467	0.037	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){2|C<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){5|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	111.0467	0.037	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]2C[5])	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2N[5,5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]2N[5,5])	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.3050	0.000	1	112.3050	0.000	1	112.3050	0.000	1	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9150	0.829	2	109.9150	0.687	2	111.3790	1.753	8	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5710	0.000	1	111.5710	0.000	1	111.3790	1.753	8	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	112.3230	0.000	1	112.3230	0.000	1	111.3790	1.753	8	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7590	0.000	1	110.7590	0.000	1	111.3790	1.753	8	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){2|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	111.2910	0.000	1	111.2910	0.000	1	111.3790	1.753	8	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]2)	111.4350	0.000	1	111.4350	0.000	1	111.3790	1.753	8	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.8230	0.000	1	113.8230	0.000	1	111.3790	1.753	8	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1900	0.000	1	111.1900	0.000	1	111.7157	0.747	4	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.7780	0.000	1	110.7780	0.000	1	111.7157	0.747	4	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.3660	0.000	1	112.3660	0.000	1	111.7157	0.747	4	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.5290	0.000	1	112.5290	0.000	1	111.7157	0.747	4	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|S<1>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H){1|S<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.1350	0.000	1	111.1350	0.000	1	111.2647	0.592	3	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.5680	0.000	1	110.5680	0.000	1	111.2647	0.592	3	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.0910	0.000	1	112.0910	0.000	1	111.2647	0.592	3	111.5269	1.430	19	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.1130	0.000	1	110.1130	0.000	1	110.1130	0.000	1	110.5482	0.996	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0180	0.006	2	110.0180	0.000	2	110.6933	1.368	3	110.5482	0.996	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC){6|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.0440	0.000	1	112.0440	0.000	1	110.6933	1.368	3	110.5482	0.996	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|Br<1>,1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	112.0770	0.000	1	109.9595	8.968	2	109.9595	8.968	2	110.7299	2.606	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	107.8420	0.000	1	109.9595	8.968	2	109.9595	8.968	2	110.7299	2.606	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.6220	0.000	1	110.6220	0.000	1	110.2638	0.069	5	110.7299	2.606	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.1743	0.195	4	110.1743	0.038	4	110.2638	0.069	5	110.7299	2.606	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.7060	0.000	1	111.7060	0.000	1	111.7060	0.000	1	110.7299	2.606	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5]-4:P[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3)	H(C[5,5]C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]P[5])	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	110.7299	2.606	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	113.7820	0.557	2	113.7820	0.310	2	111.3218	2.737	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,5]C[5,5]2C[5])	110.3550	0.000	1	110.3550	0.000	1	111.3218	2.737	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]2C[5])	110.1560	0.355	2	110.1560	0.126	2	111.3218	2.737	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	111.9100	0.000	1	111.9100	0.000	1	111.3218	2.737	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]2C[5])	110.2165	0.418	2	110.2165	0.175	2	111.3218	2.737	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|C<3>}	H(C[5,5]C[5,5]2C[5])	111.1300	0.000	1	111.1300	0.000	1	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	110.4485	0.467	2	110.6100	0.120	5	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	110.7350	0.000	1	110.6100	0.120	5	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]2C[5])	110.7090	0.416	2	110.6100	0.120	5	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	110.1020	0.000	1	110.1020	0.000	1	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,7|C<3>}	H(C[5,5]C[5,5]2C[5])	110.1840	0.000	1	110.1840	0.000	1	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	H(C[5,5]C[5,5]2C[5])	110.7340	0.000	1	110.7340	0.000	1	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	111.3600	0.000	1	111.3600	0.000	1	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]2C[5])	111.2810	0.000	1	110.6395	0.823	2	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	109.9980	0.000	1	110.6395	0.823	2	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	111.0660	0.000	1	110.5845	0.301	6	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	109.5490	0.000	1	110.5845	0.301	6	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]2C[5])	110.7210	0.331	2	110.5845	0.301	6	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]2C[5])	110.7250	0.130	2	110.5845	0.301	6	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	110.3120	0.000	1	110.3120	0.000	1	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	112.0780	0.317	2	112.0780	0.100	2	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	H(C[5,5]C[5,5]2C[5])	109.6580	0.000	1	109.6580	0.000	1	110.7033	0.444	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|I<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	109.6360	0.000	1	110.6545	2.075	2	110.6545	2.075	2	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	111.6730	0.000	1	110.6545	2.075	2	110.6545	2.075	2	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){4|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	113.0780	0.000	1	113.0780	0.000	1	113.9640	0.431	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	114.4740	0.000	1	114.4740	0.000	1	113.9640	0.431	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|D<1>,1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H){1|D<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	113.8550	0.000	1	113.8550	0.000	1	113.9640	0.431	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H){1|D<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|D<1>,1|H<1>,2|C<3>,2|O<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	114.4490	0.000	1	114.4490	0.000	1	113.9640	0.431	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.2660	0.396	2	111.2660	0.157	2	111.2660	0.157	2	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.1710	0.000	1	110.1710	0.000	1	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.5120	0.000	1	110.5120	0.000	1	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2810	0.000	1	111.2810	0.000	1	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6220	0.255	2	110.4948	0.327	6	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.5700	0.535	2	110.4948	0.327	6	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.0530	0.000	1	110.4948	0.327	6	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5320	0.000	1	110.4948	0.327	6	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7390	0.000	1	110.7390	0.000	1	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5250	0.000	1	111.5250	0.000	1	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.7495	0.743	2	110.4412	1.134	5	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.9290	0.000	1	110.4412	1.134	5	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3890	1.878	2	110.4412	1.134	5	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.9730	0.000	1	109.9730	0.000	1	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9790	0.000	1	110.3070	0.903	2	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.6350	0.000	1	110.3070	0.903	2	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4430	0.122	2	111.4430	0.015	2	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	H(C[5,5]C[5,5]C[5]2)	110.6030	0.000	1	110.6030	0.000	1	110.6127	0.514	22	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.2310	0.000	1	108.2310	0.000	1	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.7806	0.438	10	110.7806	0.192	10	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6500	0.061	2	110.6500	0.004	2	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0920	0.000	1	111.0920	0.000	1	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	114.1760	0.000	1	114.1760	0.000	1	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3410	0.000	1	110.3410	0.000	1	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2400	0.000	1	111.2400	0.000	1	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7430	0.000	1	110.7430	0.000	1	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.3770	0.000	1	108.4560	0.015	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.4823	0.135	3	108.4560	0.015	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.8360	0.212	3	109.8360	0.045	3	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3470	0.000	1	110.7040	0.067	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.8230	0.123	3	110.7040	0.067	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.5110	0.000	1	110.8413	0.845	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.6590	0.000	1	110.8413	0.845	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.6140	0.000	1	110.8413	0.845	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.5810	0.000	1	110.8413	0.845	4	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2350	0.873	2	112.2350	0.761	2	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5697	0.300	3	110.5697	0.090	3	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	114.4040	0.000	1	114.4040	0.000	1	110.6417	1.715	39	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5690	0.000	1	110.5690	0.000	1	111.0113	1.107	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8420	0.000	1	110.8420	0.000	1	111.0113	1.107	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.5230	0.000	1	112.5230	0.000	1	111.0113	1.107	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1110	0.000	1	110.1110	0.000	1	111.0113	1.107	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|O<1>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9567	0.272	4	110.9567	0.074	4	111.4321	1.850	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.7950	0.000	1	110.7950	0.000	1	111.4321	1.850	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	114.6960	0.000	1	113.1325	4.889	2	111.4321	1.850	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5690	0.000	1	113.1325	4.889	2	111.4321	1.850	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5700	0.000	1	110.5700	0.000	1	111.4321	1.850	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.5370	0.281	2	109.5370	0.079	2	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.6465	0.053	2	111.6465	0.003	2	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	113.7205	2.848	2	111.6000	5.901	6	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.8240	0.000	1	111.6000	5.901	6	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.1610	0.000	1	111.6000	5.901	6	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.0870	0.000	2	111.6000	5.901	6	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.5520	0.768	2	111.5520	0.590	2	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.4770	0.180	2	111.4770	0.032	2	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.4420	2.380	2	113.0610	4.422	4	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	115.4220	0.000	1	113.0610	4.422	4	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.9380	0.000	1	113.0610	4.422	4	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5935	0.822	2	110.5935	0.676	2	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]O[5]O)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2370	0.000	1	111.2370	0.000	1	111.5568	3.168	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.0860	0.000	1	112.0860	0.000	1	112.6043	3.098	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	115.0950	0.000	1	115.0950	0.000	1	112.6043	3.098	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.9560	0.000	1	110.9560	0.000	1	112.6043	3.098	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.2800	0.000	1	112.2800	0.000	1	112.6043	3.098	4	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1970	0.000	1	111.1970	0.000	1	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3880	0.000	1	111.3880	0.000	1	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.7607	0.349	6	110.7607	0.121	6	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5420	0.000	1	110.5420	0.000	1	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.4030	0.000	1	110.4030	0.000	1	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5932	0.368	6	110.5932	0.135	6	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6290	0.000	1	110.6290	0.000	1	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8170	0.000	1	110.8170	0.000	1	110.7277	0.130	18	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|I<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.4060	0.000	1	110.7075	0.182	2	110.7075	0.182	2	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.0090	0.000	1	110.7075	0.182	2	110.7075	0.182	2	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|O<1>,4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.0883	0.137	4	110.0883	0.019	4	110.4721	0.708	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.1980	0.000	1	110.8445	3.664	2	110.4721	0.708	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.4910	0.000	1	110.8445	3.664	2	110.4721	0.708	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.0350	0.000	1	111.0350	0.000	1	110.4721	0.708	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.7000	0.000	1	110.7000	0.000	1	110.4721	0.708	8	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.0075	0.288	2	111.0075	0.083	2	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5080	0.197	2	111.5080	0.039	2	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.4235	0.296	2	111.4235	0.088	2	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1775	0.245	2	110.1775	0.060	2	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2750	0.000	2	111.7845	1.223	6	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.7050	1.792	2	111.7845	1.223	6	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9530	0.000	1	111.7845	1.223	6	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.7940	0.000	1	111.7845	1.223	6	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.4430	2.780	2	111.9760	5.600	4	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0280	0.000	1	111.9760	5.600	4	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9900	0.000	1	111.9760	5.600	4	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.4080	0.383	2	112.4080	0.147	2	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]2)	111.2880	0.000	1	111.2880	0.000	1	111.5690	1.516	21	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.0380	0.570	2	111.0380	0.325	2	111.0380	0.325	2	111.0465	1.649	189	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	111.3073	0.116	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(SC)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H){1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(SC){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.3073	0.116	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH){1|O<1>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.2753	0.387	3	111.2753	0.150	3	111.2420	0.104	4	111.3073	0.116	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH){1|O<1>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.1420	0.000	1	111.1420	0.000	1	111.2420	0.104	4	111.3073	0.116	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5,6]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5,6]C[5,6]2)(COO)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5,6]C[5,6]2)(COO){2|C<3>,2|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.6365	1.389	2	110.6365	1.931	2	110.6365	1.931	2	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.4567	0.386	4	110.5347	0.125	6	110.5347	0.125	6	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.6905	0.326	2	110.5347	0.125	6	110.5347	0.125	6	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]C)	H(C[5,5]C[5,5]2N[5,5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]C){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]2N[5,5])	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.3340	0.000	1	111.3340	0.000	1	110.9417	0.179	3	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7455	0.356	2	110.7455	0.127	2	110.9417	0.179	3	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1730	0.000	1	110.1730	0.000	1	111.5410	3.743	2	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.9090	0.000	1	112.9090	0.000	1	111.5410	3.743	2	110.7011	0.696	15	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.4005	0.289	2	110.4005	0.084	2	110.4005	0.084	2	110.7286	0.364	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.4960	0.000	1	110.4960	0.000	1	111.1320	0.809	2	110.7286	0.364	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7680	0.000	1	111.7680	0.000	1	111.1320	0.809	2	110.7286	0.364	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){3|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	110.7286	0.364	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H){10|H<1>,2|C<3>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	H(C[5,5]C[3x5]C[5,5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H){2|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[3x5]C[5,5]N[5])	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	112.1670	0.000	1	112.5045	0.228	2	112.5045	0.228	2	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	112.8420	0.000	1	112.5045	0.228	2	112.5045	0.228	2	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,2|F<1>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	111.1630	0.000	1	111.1630	0.000	1	111.7940	0.917	3	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|Br<1>,1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]2C[5])	111.3230	0.000	1	111.3230	0.000	1	111.7940	0.917	3	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	112.8960	0.000	1	112.8960	0.000	1	111.7940	0.917	3	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,2|F<1>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2N[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]2N[5])	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]N[5])	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,2|O<2>}	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	115.2940	0.000	1	115.2940	0.000	1	115.2940	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5890	0.000	1	111.5890	0.000	1	111.3038	0.781	5	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.9740	0.895	2	111.9740	0.801	2	111.3038	0.781	5	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3910	0.000	1	110.3910	0.000	1	111.3038	0.781	5	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5910	0.000	1	110.5910	0.000	1	111.3038	0.781	5	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.0810	0.000	1	110.0810	0.000	1	111.7870	1.454	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.9630	0.386	2	112.9630	0.149	2	111.7870	1.454	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.5010	0.000	1	112.5010	0.000	1	111.7870	1.454	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0420	0.000	1	111.0420	0.000	1	111.7870	1.454	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1720	0.000	1	111.1720	0.000	1	111.7870	1.454	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.0320	0.000	1	111.0320	0.000	1	111.1643	0.184	3	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H){1|C<3>,1|S<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8170	0.000	1	110.8170	0.000	1	111.1643	0.184	3	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6440	0.000	1	111.6440	0.000	1	111.1643	0.184	3	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]N[5])	111.4170	0.000	1	111.4170	0.000	1	110.7843	0.349	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.1270	0.000	1	110.1270	0.000	1	110.7843	0.349	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.8755	0.057	2	110.8755	0.003	2	110.7843	0.349	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.0420	0.000	1	110.0420	0.000	1	110.7843	0.349	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H){1|S<4>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3690	0.000	1	111.3690	0.000	1	110.7843	0.349	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){2|C<3>,2|N<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3505	0.047	2	110.3505	0.002	2	110.3505	0.002	2	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.4950	0.000	2	110.4950	0.000	2	110.9142	0.275	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.1238	0.532	4	111.1238	0.283	4	110.9142	0.275	6	111.3030	1.469	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H){2|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.4480	0.000	1	106.4480	0.000	1	106.4480	0.000	1	108.5880	9.159	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH){1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	108.5880	9.159	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)(C[5]N[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	H(C[5,5]C[5,5]2C[5])	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	113.7490	13.813	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	113.7490	13.813	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.5710	0.000	1	111.1990	0.174	3	111.1990	0.174	3	109.7670	8.319	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.0130	0.375	2	111.1990	0.174	3	111.1990	0.174	3	109.7670	8.319	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]CC)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H){5|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	105.4710	0.000	1	105.4710	0.000	1	105.4710	0.000	1	109.7670	8.319	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4390	0.000	1	110.4390	0.000	1	110.2040	0.110	2	110.4370	0.115	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9690	0.000	1	109.9690	0.000	1	110.2040	0.110	2	110.4370	0.115	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	110.4370	0.115	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H){4|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	110.4370	0.115	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.6600	0.105	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.6600	0.105	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.8741	0.630	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	109.8741	0.630	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3010	0.000	1	110.3010	0.000	1	109.5448	0.210	5	109.8741	0.630	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H){2|C<3>,2|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3558	0.203	4	109.3558	0.041	4	109.5448	0.210	5	109.8741	0.630	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|S<4>,4|C<3>,8|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3270	0.000	1	110.3270	0.000	1	110.4535	0.032	2	110.3622	0.305	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|C<3>,8|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5800	0.000	1	110.5800	0.000	1	110.4535	0.032	2	110.3622	0.305	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H)	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H){2|C<3>,2|H<1>,2|N<2>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5]){3|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5997	0.502	3	110.5997	0.252	3	110.5997	0.252	3	110.3622	0.305	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|H<1>,3|C<3>}	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	110.3622	0.305	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-3:C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]O[5]O)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|O<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]O[5]O)(COO){2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.8950	0.000	1	110.2057	0.152	4	110.8888	0.416	12	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3093	0.405	3	110.2057	0.152	4	110.8888	0.416	12	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5170	0.000	1	111.5170	0.000	1	110.8888	0.416	12	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4022	0.317	5	111.2978	0.146	6	110.8888	0.416	12	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<4>,1|S<2>,1|S<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7760	0.000	1	111.2978	0.146	6	110.8888	0.416	12	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5390	0.000	1	110.5390	0.000	1	110.8888	0.416	12	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3078	0.368	5	111.3078	0.135	5	111.1261	0.209	7	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6720	0.368	2	110.6720	0.135	2	111.1261	0.209	7	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H){2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H){2|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	110.6681	1.063	23	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<1>,6|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.1460	0.000	1	109.5430	0.315	2	109.5430	0.315	2	109.5517	0.158	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<2>,6|C<3>,8|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9400	0.000	1	109.5430	0.315	2	109.5430	0.315	2	109.5517	0.158	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H)	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5517	0.158	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	C[5,5](C[5,5]C[3,5]C[5]H)(O[5]C[3,5])(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]3)	111.9550	0.000	1	111.9550	0.000	1	111.4220	0.505	5	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]3)	112.1580	0.000	1	111.3090	1.442	2	111.4220	0.505	5	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]3)	110.4600	0.000	1	111.3090	1.442	2	111.4220	0.505	5	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]3)	111.6000	0.000	1	111.2685	0.220	2	111.4220	0.505	5	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]3)	110.9370	0.000	1	111.2685	0.220	2	111.4220	0.505	5	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	111.0850	0.000	1	111.0540	0.008	4	110.9125	0.069	8	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	111.0437	0.109	3	111.0540	0.008	4	110.9125	0.069	8	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	110.7300	0.533	2	110.7710	0.099	4	110.9125	0.069	8	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.8120	0.074	2	110.7710	0.099	4	110.9125	0.069	8	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2315	0.882	2	111.2315	0.778	2	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.3300	0.000	1	111.2710	0.205	8	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1322	0.147	5	111.2710	0.205	8	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0885	0.254	2	111.2710	0.205	8	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1130	0.000	1	111.1130	0.000	1	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2170	0.000	1	112.2170	0.000	1	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<2>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3740	0.020	2	110.3740	0.000	2	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2120	0.000	1	113.5393	18.739	3	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	114.7030	5.418	2	113.5393	18.739	3	111.6075	3.483	17	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	111.3473	1.926	33	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:2:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH){1|C<4>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:2:3:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5])	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	H(C[5,5]C[5,5]2C[5])	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2760	0.000	1	110.2760	0.000	1	109.7973	0.197	3	109.2732	1.230	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5580	0.226	2	109.5580	0.051	2	109.7973	0.197	3	109.2732	1.230	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:P[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H)	H(C[5,5]C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H){1|S<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]P[5])	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	109.2732	1.230	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H){1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH){1|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8540	0.000	1	110.8540	0.000	1	110.6325	0.098	2	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4110	0.000	1	110.4110	0.000	1	110.6325	0.098	2	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4390	0.000	1	110.4390	0.000	1	110.0588	2.286	4	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|I<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.0060	0.000	1	112.0060	0.000	1	110.0588	2.286	4	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.8950	0.462	2	108.8950	0.214	2	110.0588	2.286	4	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9710	0.000	1	110.9710	0.000	1	111.1680	0.078	2	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)2(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3650	0.000	1	111.3650	0.000	1	111.1680	0.078	2	110.3703	1.120	10	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.2135	0.298	2	110.2135	0.089	2	110.2135	0.089	2	110.5072	0.288	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN){7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	110.5072	0.288	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	110.5072	0.288	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]C[5]H)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]C[5]H)(COO){1|C<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	109.4290	4.211	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]N)(C[5]O[5]O)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]N)(C[5]O[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	109.4290	4.211	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){2|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH){8|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	111.2150	0.076	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:3:4:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|N<2>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|N<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	111.2150	0.076	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	111.5660	0.000	1	111.5660	0.000	1	111.2420	0.210	2	110.0654	2.528	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	110.9180	0.000	1	110.9180	0.000	1	111.2420	0.210	2	110.0654	2.528	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	110.0654	2.528	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.8065	0.114	2	108.8065	0.013	2	108.8065	0.013	2	110.0654	2.528	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	110.0654	2.528	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H){2|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.2750	0.000	1	109.2750	0.000	1	109.2750	0.000	1	110.0654	2.528	7	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5]N[5,5]H)(C[5]C[5]HH)(COO)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5]N[5,5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.2145	0.275	2	110.2145	0.076	2	110.2145	0.076	2	110.3870	0.127	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S){3|C<3>,8|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.3870	0.127	3	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	110.4765	0.218	2	110.4765	0.048	2	110.4765	0.048	2	110.4765	0.048	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5,5]-4:C-4:H-1:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H)	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2	H(C[5,5]C[4,5,5]C[5,5]C)	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H){5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2{1|O<2>,4|H<1>}	H(C[5,5]C[4,5,5]C[5,5]C)	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	111.4360	0.000	1	111.4360	0.000	1	113.3620	4.234	5	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,5]C[3,5]C[5,5]C[5])	112.0900	0.000	2	113.8435	4.100	4	113.3620	4.234	5	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,5]C[3,5]C[5,5]C[5])	115.5970	0.000	2	113.8435	4.100	4	113.3620	4.234	5	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H)	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H)	H(C[5,5]C[4,5]C[5,5]C[5])	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[4,5]C[5,5]C[5])	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5,6])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]2C[5,6])	108.9830	0.055	2	108.9830	0.003	2	108.9830	0.003	2	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	110.1950	0.048	2	110.1950	0.002	2	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	111.7560	0.000	1	111.7560	0.000	1	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	109.7722	0.233	4	109.7722	0.054	4	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	112.0520	0.000	1	112.0520	0.000	1	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	109.4210	0.000	1	110.3883	0.702	3	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.8720	0.004	2	110.3883	0.702	3	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9960	0.000	1	109.9960	0.000	1	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	114.3900	0.000	1	114.3900	0.000	1	110.6798	1.905	13	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H){1|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8440	0.000	1	110.8440	0.000	1	110.5832	0.179	6	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3530	0.245	4	110.3530	0.060	4	110.5832	0.179	6	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2430	0.000	1	111.2430	0.000	1	110.5832	0.179	6	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,2|H<1>,6|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.9180	0.000	1	108.9180	0.000	1	109.4997	2.877	3	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.4100	0.000	1	111.4100	0.000	1	109.4997	2.877	3	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.1710	0.000	1	108.1710	0.000	1	109.4997	2.877	3	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]2C[5,6])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]2C[5,6])	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.1375	0.401	2	109.1049	0.069	28	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.1330	0.132	4	109.1049	0.069	28	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.4160	0.000	1	109.1049	0.069	28	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.0816	0.278	21	109.1049	0.069	28	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.4400	0.000	1	108.4400	0.000	1	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|C<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.3030	0.000	1	109.2223	0.195	4	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|N<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.2310	0.000	1	109.2223	0.195	4	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.7130	0.000	1	109.2223	0.195	4	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.6420	0.000	1	109.2223	0.195	4	109.0990	0.092	33	109.9571	2.250	67	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[3,5]-4:C[5,5]-4:C[3x5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(C[3x5]C[5,5]2C)(H)	C[5,5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]HH)(O[5]C[5])2	H(C[5,5]C[3,5]C[3x5]C[5,5])	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(C[3x5]C[5,5]2C)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]HH)(O[5]C[5])2{1|O<2>,5|C<4>,5|H<1>}	H(C[5,5]C[3,5]C[3x5]C[5,5])	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[3x5,6]-4:C[3,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H)	C[5,5](C[5,5]C[3x5,6]C[3,5]H)(C[5]C[5,5,6]HH)(O[5]C[5])2	H(C[5,5]C[3x5,6]C[3,5]C[5,5])	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,5](C[5,5]C[3x5,6]C[3,5]H)(C[5]C[5,5,6]HH)(O[5]C[5])2{1|O<2>,5|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]C[3,5]C[5,5])	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	H(C[5,5]C[5,5]2C[5])	111.0410	0.000	1	111.0410	0.000	1	112.7561	3.377	7	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	111.3540	0.000	1	110.7670	0.689	2	112.7561	3.377	7	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.1800	0.000	1	110.7670	0.689	2	112.7561	3.377	7	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]RhH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]RhH)(O[5]C[5])2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]RhH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]RhH)(O[5]C[5])2{2|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	114.1795	0.452	4	114.1795	0.205	4	112.7561	3.377	7	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	111.9141	3.757	11	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5010	0.000	1	110.5010	0.000	1	110.8860	0.296	2	110.8860	0.296	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2710	0.000	1	111.2710	0.000	1	110.8860	0.296	2	110.8860	0.296	2	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3)	H(C[5,5]C[5,5]2C[5,6])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]2C[5,6])	109.0345	0.118	2	109.0345	0.014	2	109.0345	0.014	2	109.4996	0.384	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3){1|O<2>,5|C<4>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	110.1730	0.100	2	110.1730	0.010	2	110.1730	0.010	2	109.4996	0.384	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.4996	0.384	5	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,5]C[3,5]C[5,5]C[5])	112.0900	0.000	1	112.0900	0.000	1	112.0900	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]3)	112.1420	0.000	1	111.8910	0.126	2	111.8910	0.126	2	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]3)	111.6400	0.000	1	111.8910	0.126	2	111.8910	0.126	2	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H){2|O<1>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,2|F<1>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9550	0.000	1	109.9550	0.000	1	108.9857	6.307	3	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|Br<1>,1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	110.8680	0.000	1	110.8680	0.000	1	108.9857	6.307	3	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	106.1340	0.000	1	106.1340	0.000	1	108.9857	6.307	3	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	111.3385	1.761	2	111.3385	3.103	2	111.0284	1.196	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9470	0.000	1	109.9470	0.000	1	111.0284	1.196	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	111.5860	0.000	1	111.5860	0.000	1	111.0284	1.196	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.9320	0.000	1	110.9320	0.000	1	111.0284	1.196	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H){10|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,2|F<1>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:Cl-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]C[5]O)(Cl)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H){1|Cl<1>,1|C<3>,2|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]C[5]O)(Cl){1|Cl<1>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.5255	2.580	2	112.5255	6.658	2	111.6834	6.766	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.0190	0.000	1	109.0190	0.000	1	111.6834	6.766	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5]2)	114.5620	0.000	1	114.5620	0.000	1	111.6834	6.766	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7850	0.000	1	109.7850	0.000	1	111.6834	6.766	5	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4890	0.000	1	111.4890	0.000	1	110.8835	0.429	6	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0790	0.000	1	110.0790	0.000	1	110.8835	0.429	6	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H){1|S<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6120	0.000	1	111.6120	0.000	1	110.8835	0.429	6	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4250	0.171	2	110.4250	0.029	2	110.8835	0.429	6	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2710	0.000	1	111.2710	0.000	1	110.8835	0.429	6	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){2|C<3>,2|N<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5330	0.030	2	110.5330	0.001	2	110.5330	0.001	2	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H)	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4730	0.000	1	111.4730	0.000	1	111.5950	0.328	3	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H){1|C<3>,1|S<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0930	0.000	1	111.0930	0.000	1	111.5950	0.328	3	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2190	0.000	1	112.2190	0.000	1	111.5950	0.328	3	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5070	0.000	2	111.5070	0.000	2	111.7865	0.377	6	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.9262	0.742	4	111.9262	0.550	4	111.7865	0.377	6	111.0596	2.012	42	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5])	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.4472	0.371	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5])	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	110.4472	0.371	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH)	H(C[5,5]C[5,5]C[5,6]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]2)	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	110.4472	0.371	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC){2|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.4472	0.371	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<2>,1|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3880	0.000	1	110.3880	0.000	1	110.6665	0.382	4	110.4472	0.371	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7593	0.722	3	110.7593	0.522	3	110.6665	0.382	4	110.4472	0.371	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5,5]C[5,5]2C[5,6])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]C[5]){1|O<1>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5,6])	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	110.4472	0.371	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]N[5]C)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]N[5]C)(COO){2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.1720	0.000	1	109.1720	0.000	1	109.7765	0.731	2	110.6683	1.656	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H){1|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO){1|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3810	0.000	1	110.3810	0.000	1	109.7765	0.731	2	110.6683	1.656	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(COO){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5600	1.028	2	111.5600	1.057	2	111.5600	1.057	2	110.6683	1.656	4	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3){2|C<4>,9|H<1>}	H(C[5,5]C[5,5]2C[5])	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3){2|C<4>,9|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.8900	0.000	1	109.8900	0.000	1	110.2790	0.525	4	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6860	0.000	1	110.6860	0.000	1	110.2790	0.525	4	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0630	0.000	1	111.0630	0.000	1	110.2790	0.525	4	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.4770	0.000	1	109.4770	0.000	1	110.2790	0.525	4	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5700	0.252	2	110.5700	0.063	2	110.5700	0.063	2	109.9972	0.990	9	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	B[3,5]-4:C[5,5]-4:P[5]-4:H-1:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H)	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H)	H(C[5,5]B[3,5]C[5,5]P[5])	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H){1|C<4>,4|H<1>,9|C<3>}	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|H<1>,7|C<3>}	H(C[5,5]B[3,5]C[5,5]P[5])	106.0770	0.000	1	106.0770	0.000	1	106.0770	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.4030	0.000	1	112.4030	0.000	1	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3340	0.000	1	112.3340	0.000	1	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3450	0.000	1	112.3450	0.000	1	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.5648	0.164	4	112.5648	0.027	4	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.4555	0.265	2	112.4555	0.070	2	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.6170	0.000	1	110.6170	0.000	1	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.2160	0.000	1	110.2160	0.000	1	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.5880	0.000	1	110.5880	0.000	1	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.7610	0.000	1	110.7610	0.000	1	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.5147	0.357	4	110.5147	0.128	4	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	111.3955	0.715	2	111.3955	0.511	2	111.5413	0.962	19	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>,7|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){3|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.0545	0.039	2	110.1090	0.005	4	110.1090	0.005	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){3|C<3>,5|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){3|C<4>,8|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.1635	0.018	2	110.1090	0.005	4	110.1090	0.005	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	B[3,5]-4:C[5,5]-4:P[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H)	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|H<1>,7|C<3>}	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H){1|C<4>,4|H<1>,9|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	103.9790	0.000	1	103.9790	0.000	1	103.9790	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:B[5]-4:P[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H)	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H)	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H){10|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]B[5]C[5])	107.3140	0.000	1	107.3140	0.000	1	107.3140	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:B[5]-4:P[5]-4:H-1:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H)	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]B[5]P[5])	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H){10|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,8|C<3>}	H(C[5,5]C[5,5]B[5]P[5])	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]3)	111.9930	0.000	1	111.9930	0.000	1	112.4133	0.786	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]3)	111.8820	0.000	1	111.8820	0.000	1	112.4133	0.786	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)2(C[5,5]O[5]2H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]3)	112.0390	0.000	1	112.0390	0.000	1	112.4133	0.786	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]3)	113.7390	0.000	1	113.7390	0.000	1	112.4133	0.786	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,5]C[5,5]3)	108.7115	0.073	2	108.7115	0.005	2	110.3880	1.769	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]3)	111.4500	0.000	1	111.2262	0.137	4	110.3880	1.769	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]3)	111.6300	0.000	1	111.2262	0.137	4	110.3880	1.769	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]3)	110.9125	0.006	2	111.2262	0.137	4	110.3880	1.769	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]3)	108.6935	0.036	2	108.6935	0.001	2	108.6935	0.001	2	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){3|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>,7|C<4>}	H(C[5,5]C[5,5]2C[5])	110.4320	0.109	2	110.3273	0.020	4	110.3273	0.020	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){3|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){3|C<3>,5|H<1>,6|C<4>}	H(C[5,5]C[5,5]2C[5])	110.2225	0.053	2	110.3273	0.020	4	110.3273	0.020	4	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	110.9640	0.000	1	111.0535	0.011	4	110.4617	0.848	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	111.0150	0.000	1	111.0535	0.011	4	110.4617	0.848	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5,5]O[5]2H)(H){2|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	111.1175	0.120	2	111.0535	0.011	4	110.4617	0.848	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){11|H<1>,1|C<3>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	109.2780	0.049	2	109.2780	0.002	2	110.4617	0.848	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	109.3100	0.088	2	109.3100	0.008	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H){1|C<3>,3|O<2>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	110.6405	0.411	2	110.6405	0.169	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9320	0.000	1	109.9320	0.000	1	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	110.1460	0.697	2	110.1460	0.486	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	110.9690	0.000	1	111.0095	0.003	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	111.0500	0.000	1	111.0095	0.003	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	111.3550	0.000	1	110.7430	0.749	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	110.1310	0.000	1	110.7430	0.749	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]RhH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]RhH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]RhH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]RhH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	114.1977	0.449	4	114.1977	0.201	4	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H){1|C<3>,3|O<2>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	110.2905	0.725	2	110.2905	0.525	2	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.7190	0.515	2	110.7643	0.091	4	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	110.8095	0.016	2	110.7643	0.091	4	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	109.1820	0.000	1	109.1820	0.000	1	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	109.7290	0.854	2	110.4478	0.741	5	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){4|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	110.3440	0.000	1	110.4478	0.741	5	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){4|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	111.1940	0.000	1	110.4478	0.741	5	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){4|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){4|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	111.2430	0.000	1	110.4478	0.741	5	110.9437	2.360	27	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.5255	0.282	2	110.5255	0.080	2	109.6488	3.011	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	107.6820	0.000	1	107.6820	0.000	1	109.6488	3.011	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H){1|C<3>,3|O<2>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.6320	2.536	2	110.6320	6.430	2	109.6488	3.011	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9090	0.000	1	109.9090	0.000	1	109.6488	3.011	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	110.1590	0.669	2	110.1590	0.447	2	109.6488	3.011	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	106.6150	0.000	1	106.6150	0.000	1	109.6488	3.011	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){11|H<1>,1|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.9080	0.064	2	109.9080	0.004	2	109.9080	0.004	2	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H){1|C<3>,3|O<2>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7160	1.636	2	109.7160	2.677	2	110.1147	2.269	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2485	0.056	2	111.2485	0.003	2	110.1147	2.269	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3620	0.000	1	109.3620	0.000	1	110.1147	2.269	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3060	0.000	1	109.3060	0.000	1	110.1147	2.269	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4665	0.938	2	111.4665	0.880	2	110.1147	2.269	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.5020	0.000	1	107.5020	0.000	1	110.1147	2.269	9	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){3|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<2>,3|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	115.5190	0.000	1	115.5190	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<2>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){3|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	119.3040	0.000	1	119.3040	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.5010	0.305	2	106.5010	0.093	2	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6140	0.000	1	111.6140	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	116.2420	0.000	1	116.2420	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.0420	0.526	2	107.0420	0.277	2	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<4>,1|O<3>,6|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<4>,1|O<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.1730	0.000	1	108.1730	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.4260	0.000	1	110.4260	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.0750	0.000	1	107.0750	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2760	0.000	1	110.2760	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0390	0.000	1	111.0390	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1285	0.166	2	110.7121	0.210	8	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|N<3>,6|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|N<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9067	0.327	6	110.7121	0.210	8	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.8080	0.000	1	107.8080	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9360	0.000	1	110.9360	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|Cl<1>,1|C<3>,4|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H){1|Cl<1>,1|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7920	0.000	1	111.7920	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3658	2.510	12	110.2156	4.152	18	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7260	0.078	4	110.2156	4.152	18	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|N<3>,6|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|N<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2930	0.127	2	110.2156	4.152	18	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H){1|Cl<1>,1|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|Cl<1>,1|C<3>,4|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.0450	0.000	1	110.0450	0.000	1	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]PdH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]PdH)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]PdH)2(H){1|Pd<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]PdH)2(H){1|Pd<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.8090	0.016	2	107.8090	0.000	2	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.8307	0.233	10	113.8307	0.054	10	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H){6|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H){6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6315	0.006	2	111.6315	0.000	2	110.9491	7.336	57	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H){1|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5975	0.483	2	109.5975	0.233	2	109.5975	0.233	2	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7530	0.000	1	109.7530	0.000	1	109.7173	0.622	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){2|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.7870	0.000	1	108.7870	0.000	1	109.7173	0.622	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|N<3>,2|O<1>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.0470	0.000	1	109.0470	0.000	1	109.7173	0.622	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H){2|O<1>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|N<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3830	0.000	1	110.3830	0.000	1	109.7173	0.622	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1670	0.972	2	110.1670	0.944	2	109.7173	0.622	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|Ni<5>,1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5210	1.421	2	110.5210	2.020	2	110.5210	2.020	2	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3360	0.369	2	110.3360	0.136	2	110.1520	0.170	3	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7840	0.000	1	109.7840	0.000	1	110.1520	0.170	3	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H){1|S<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H){2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H){1|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	109.7800	0.300	2	109.7800	0.090	2	109.7800	0.090	2	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){2|C<4>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.3550	0.000	1	109.3550	0.000	1	111.0967	4.179	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|N<3>,2|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.5450	0.000	1	109.5450	0.000	1	111.0967	4.179	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	111.5120	0.000	1	111.5120	0.000	1	111.0967	4.179	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|N<3>,6|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H){2|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	110.3460	0.000	1	110.3460	0.000	1	111.0967	4.179	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	112.9110	2.852	2	112.9110	8.137	2	111.0967	4.179	6	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|Ni<5>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	109.8840	0.660	2	109.8840	0.436	2	109.8840	0.436	2	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6110	0.127	2	110.6110	0.016	2	110.4037	0.137	3	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9890	0.000	1	109.9890	0.000	1	110.4037	0.137	3	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.6123	0.698	4	113.6123	0.487	4	111.8674	0.907	34	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.4053	0.893	3	113.4053	0.797	3	111.8674	0.907	34	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.6070	0.000	1	111.6070	0.000	1	111.8674	0.907	34	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4315	0.323	26	111.4315	0.104	26	111.8674	0.907	34	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H){1|S<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]S[5])	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	N[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,5]N[5,5,6]C[5,5]C[5])	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[5,5]N[5,5,6]C[5,5]C[5])	107.7785	1.381	2	107.7785	1.907	2	107.7785	1.907	2	110.7937	3.833	219	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5]HH)2(O[5]C[5])	H(C[5,5]C[5,5]3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5]3)	108.7300	0.065	2	108.7300	0.004	2	108.7300	0.004	2	108.4842	0.771	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5]2C[5])	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	108.4842	0.771	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	108.4842	0.771	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	108.4842	0.771	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	108.4842	0.771	6	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]O)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,6|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]O){1|S<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]2C[5])	110.9305	1.105	2	110.9305	1.221	2	110.2250	0.757	9	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	111.7330	0.000	1	111.7330	0.000	1	110.2250	0.757	9	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	109.7385	0.170	6	109.7385	0.029	6	110.2250	0.757	9	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){3|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	110.3345	0.135	4	110.3345	0.018	4	110.3345	0.018	4	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0175	1.141	2	111.0175	1.301	2	111.0175	1.301	2	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3){1|C<4>,1|S<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H){8|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH){8|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H)	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	H(C[5,5]C[5,5]C[5]2)	110.3660	0.308	2	110.5567	0.081	4	110.5567	0.081	4	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H)	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.7475	0.053	2	110.5567	0.081	4	110.5567	0.081	4	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	110.4269	0.426	22	111.5417	2.501	3256	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	C[3x6]-4:C[5,6a]-3:C[5,5]-4:C[6,6]-4:	C[5,5]-4:	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH)	H(C[5,5]C[5,6,6]N[5,5]2)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6,6]N[5,5]2)	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	111.0524	1.320	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[5,5]C[5,6,6]C[3x5]C[5])	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,4|C<4>,4|H<1>}	H(C[5,5]C[5,6,6]C[3x5]C[5])	111.4450	0.000	2	111.5635	0.019	4	111.5635	0.019	4	111.5635	0.019	4	111.0524	1.320	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[5,5]C[5,6,6]C[3x5]C[5])	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,5]C[5,6,6]C[3x5]C[5])	111.6820	0.000	2	111.5635	0.019	4	111.5635	0.019	4	111.5635	0.019	4	111.0524	1.320	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,6]N[5,5]C[5])	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	3:4:4:1:	4:4:4:2:	4:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	109.4090	0.372	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-3:S[5]-2:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	H(C[5,5]C[5,5]C[5,6]S[5])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]S[5])	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	109.4090	0.372	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5])	H(C[5,5]C[5,6]N[3x5]O[5])	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5]){2|C<3>,3|H<1>,5|C<4>}	H(C[5,5]C[5,6]N[3x5]O[5])	110.7950	0.077	3	110.7950	0.006	3	110.7950	0.006	3	110.7950	0.006	3	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,5]C[5,6]N[5,5]S[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,7|C<3>}	H(C[5,5]C[5,6]N[5,5]S[5])	109.5860	0.363	4	109.5860	0.132	4	109.5860	0.132	4	109.5860	0.132	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	92.4970	0.000	1	92.4970	0.000	1	92.4970	0.000	1	92.4970	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.3495	0.056	2	110.3495	0.003	2	110.3495	0.003	2	110.3495	0.003	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:2:3:4:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5a,6]-3:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	112.3980	0.076	2	112.3980	0.006	2	112.3980	0.006	2	112.3980	0.006	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	108.8825	0.105	2	108.8825	0.011	2	108.8825	0.011	2	108.8825	0.011	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:4:2:2:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,5]-4:	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2{1|O<2>,4|C<4>,6|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	108.2720	0.127	2	108.2720	0.016	2	108.2720	0.016	2	108.2720	0.016	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.0075	0.593	2	110.0075	0.352	2	110.0075	0.352	2	110.0075	0.352	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	107.6890	0.000	1	107.6890	0.000	1	109.2283	1.128	4	109.2283	1.128	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO){1|Fe<10>,1|S<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	109.8270	0.000	1	109.8270	0.000	1	109.2283	1.128	4	109.2283	1.128	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	H(C[5,5]C[5,6]N[5,5]C[5])	109.6985	0.462	2	109.6985	0.213	2	109.2283	1.128	4	109.2283	1.128	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	112.4910	1.469	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	N[6,6a]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	112.4910	1.469	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	3:4:3:4:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.5607	1.002	3	112.5607	1.004	3	112.5607	1.004	3	112.5607	1.004	3	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	3:4:4:2:	4:	C[5,6]-4:C[5,5]-4:N[5]-2:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	110.8930	0.000	1	110.8930	0.000	1	110.8930	0.000	1	110.6975	0.076	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	3:4:4:2:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	110.6975	0.076	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,5|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	112.1065	0.234	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.7670	0.000	1	111.8727	0.024	3	111.8727	0.024	3	112.1065	0.234	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.0490	0.000	1	111.8727	0.024	3	111.8727	0.024	3	112.1065	0.234	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.8020	0.000	1	111.8727	0.024	3	111.8727	0.024	3	112.1065	0.234	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.8140	0.000	1	112.8140	0.000	1	112.9060	0.017	2	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.9980	0.000	1	112.9980	0.000	1	112.9060	0.017	2	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.4240	0.000	1	112.4240	0.000	1	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7690	0.000	1	112.7690	0.000	1	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.1550	0.000	1	112.1550	0.000	1	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.8022	0.186	6	112.7986	0.036	8	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7880	0.284	2	112.7986	0.036	8	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.7053	2.915	7	111.7053	8.497	7	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	110.2950	0.000	1	110.2950	0.000	1	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.9485	0.202	4	112.9485	0.041	4	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|B<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.1760	0.195	2	113.1760	0.038	2	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.7340	0.000	1	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.4900	0.000	1	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.5820	0.000	1	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.8000	0.000	1	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.5880	0.455	2	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.6940	0.220	5	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.0310	0.000	1	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	111.3890	0.000	1	112.7440	0.304	13	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.0510	0.000	1	112.6107	0.447	4	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.1040	0.553	2	112.6107	0.447	4	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.1840	0.000	1	112.6107	0.447	4	112.5293	1.685	42	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	112.5620	1.587	45	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[5,5]-4:	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.0613	0.232	4	112.0613	0.054	4	112.0613	0.054	4	112.2596	0.237	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	112.2596	0.237	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:N-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO){1|S<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:S[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	113.7300	0.066	2	113.7300	0.004	2	113.7300	0.004	2	113.7300	0.004	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]O[5])	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]O[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H){2|C<4>,2|O<1>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5,6]O[5])	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[6]-4:	C[5,5]-4:	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.9880	0.000	1	110.9880	0.000	1	110.7455	0.118	2	110.7455	0.118	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|I<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.5030	0.000	1	110.5030	0.000	1	110.7455	0.118	2	110.7455	0.118	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.5370	0.000	1	111.1640	0.170	3	111.1640	0.170	3	111.5455	0.696	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.9775	0.363	2	111.1640	0.170	3	111.1640	0.170	3	111.5455	0.696	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	111.5455	0.696	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.6875	0.127	2	111.6875	0.016	2	111.6875	0.016	2	111.6875	0.016	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H){1|D<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.5910	0.000	1	112.5910	0.000	1	112.5910	0.000	1	111.7050	1.570	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	111.7050	1.570	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:3:2:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	H(C[5,5]C[5,5]C[5,6]N[5])	110.2930	0.082	2	110.2930	0.007	2	110.2930	0.007	2	110.2930	0.007	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|D<1>,1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	110.6167	0.452	3	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.6167	0.452	3	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	110.6167	0.452	3	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.7030	0.000	1	110.7030	0.000	1	111.5238	0.638	4	111.5238	0.638	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.9780	0.000	1	110.9780	0.000	1	111.5238	0.638	4	111.5238	0.638	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.2750	0.000	1	112.2750	0.000	1	111.5238	0.638	4	111.5238	0.638	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.1390	0.000	1	112.1390	0.000	1	111.5238	0.638	4	111.5238	0.638	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.2770	0.261	5	110.2770	0.068	5	110.2770	0.068	5	110.5863	0.629	6	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:N[6]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	110.5863	0.629	6	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.2872	0.109	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.2817	0.423	3	111.2357	0.127	4	111.2357	0.127	4	111.2872	0.109	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.0980	0.000	1	111.2357	0.127	4	111.2357	0.127	4	111.2872	0.109	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5])	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	111.2830	0.358	2	111.2830	0.128	2	111.2830	0.128	2	110.8190	0.710	3	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	110.8190	0.710	3	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,2|C<3>,5|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.1520	0.000	1	110.1058	0.022	4	110.1058	0.022	4	110.1058	0.022	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,3|C<3>,4|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.1890	0.065	2	110.1058	0.022	4	110.1058	0.022	4	110.1058	0.022	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|C<3>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.8930	0.000	1	110.1058	0.022	4	110.1058	0.022	4	110.1058	0.022	4	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,4|C<4>,8|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	110.8460	0.000	1	111.3040	0.313	4	111.3040	0.313	4	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	111.4567	0.575	3	111.3040	0.313	4	111.3040	0.313	4	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.2330	0.000	1	110.2330	0.000	1	109.1680	2.268	2	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.1030	0.000	1	108.1030	0.000	1	109.1680	2.268	2	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	H(C[5,5]C[5,5]C[5,6]N[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]N[5])	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H){5|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	105.5030	0.000	1	105.5030	0.000	1	108.0685	13.164	2	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.6340	0.000	1	110.6340	0.000	1	108.0685	13.164	2	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	109.9527	3.953	10	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	110.6130	0.000	1	110.6130	0.000	1	110.6130	0.000	1	110.6130	0.000	1	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	111.7485	0.665	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	111.7485	0.665	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	110.2830	0.078	2	110.2830	0.006	2	110.2830	0.006	2	110.2830	0.006	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	109.9665	1.206	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	H(C[5,5]C[5,5]C[5,6]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]2)	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	109.9665	1.206	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3,5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[5,5]C[3,5,5]C[5,6]C[5])	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,5]C[3,5,5]C[5,6]C[5])	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	109.6265	0.681	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	109.6265	0.681	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[3x5]C[5,6]C[5])	111.1170	0.000	1	111.1170	0.000	1	110.5637	1.228	4	110.7233	1.332	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5,6]C[5])	108.9060	0.000	1	108.9060	0.000	1	110.5637	1.228	4	110.7233	1.332	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5,6]C[5])	111.1160	0.143	2	111.1160	0.020	2	110.5637	1.228	4	110.7233	1.332	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	110.7233	1.332	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.7233	1.332	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,2|O<1>,6|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	110.7233	1.332	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H)	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(C[5,5]C[5,5]2C[5,6])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]2C[5,6])	108.9675	0.098	2	108.9675	0.010	2	108.9675	0.010	2	109.1370	0.029	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.2900	0.000	1	109.2900	0.000	1	109.2500	0.006	3	109.1370	0.029	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.3000	0.000	1	109.3000	0.000	1	109.2500	0.006	3	109.1370	0.029	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.1600	0.000	1	109.1600	0.000	1	109.2500	0.006	3	109.1370	0.029	5	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H){1|O<1>,4|C<4>,8|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	109.4726	2.579	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.7400	0.000	1	109.7400	0.000	1	110.4083	1.169	3	109.4726	2.579	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.8290	0.000	1	109.8290	0.000	1	110.4083	1.169	3	109.4726	2.579	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	111.6560	0.000	1	111.6560	0.000	1	110.4083	1.169	3	109.4726	2.579	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]2)	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	109.4726	2.579	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	109.4726	2.579	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	109.4726	2.579	7	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.9785	0.491	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	108.9785	0.491	2	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]2C[5,6])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5]2C[5,6])	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.1450	0.431	2	109.0708	0.072	28	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.1448	0.135	4	109.0708	0.072	28	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.0506	0.282	22	109.0708	0.072	28	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.3580	0.000	1	108.3580	0.000	1	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.8310	0.000	1	109.8310	0.000	1	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|C<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.3370	0.000	1	109.2332	0.179	4	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.2210	0.000	1	109.2332	0.179	4	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.6980	0.000	1	109.2332	0.179	4	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.6770	0.000	1	109.2332	0.179	4	109.0913	0.111	34	109.0977	0.109	35	110.7186	4.320	214	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	N[5,5]-3:O[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:2:4:1:	4:4:3:1:	4:	N[5,5]-3:S[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5,5]N[5,5]C[5]S[5])	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]S[5])	108.6475	0.996	2	108.6475	0.993	2	108.6475	0.993	2	108.6475	0.993	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.5710	0.066	2	110.5150	0.012	3	110.5150	0.012	3	110.4698	0.016	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.4030	0.000	1	110.5150	0.012	3	110.5150	0.012	3	110.4698	0.016	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<1>}	H(C[5,5]N[5,5]C[5]2)	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	110.4698	0.016	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H){1|C<4>,2|C<3>,2|O<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(COO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,1|S<4>,2|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:3:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	109.4870	1.381	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:3:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2{2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	109.4870	1.381	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:3:4:4:	4:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2{4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	109.9290	0.040	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.9290	0.040	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:4:3:2:	4:	C[5,5a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN)	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN){1|C<4>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5a]C[5,5]C[5])	109.2188	0.130	4	109.2188	0.017	4	109.2188	0.017	4	109.2188	0.017	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:4:3:3:	4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.0383	0.479	4	110.0383	0.230	4	110.0383	0.230	4	110.0383	0.230	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H){1|O<1>,1|S<4>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	3:4:1:1:	4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H){1|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	106.1955	2.269	2	106.1955	5.149	2	106.1955	5.149	2	106.1955	5.149	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	109.6980	0.453	2	109.6980	0.205	2	109.6980	0.205	2	109.6980	0.205	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H){2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2{2|C<3>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.1677	0.253	3	110.1677	0.064	3	110.1677	0.064	3	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	111.2690	0.000	1	111.2690	0.000	1	110.9557	0.204	6	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2{4|C<4>}	H(C[5,5]N[5,5]C[5]O[5])	110.6745	0.245	2	110.6745	0.060	2	110.9557	0.204	6	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	110.4980	0.000	1	110.4980	0.000	1	110.9557	0.204	6	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]O[5])	110.9590	0.000	1	110.9590	0.000	1	110.9557	0.204	6	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2	H(C[5,5]N[5,5]C[5]O[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]N[5,5]C[5]O[5])	111.6590	0.000	1	111.6590	0.000	1	110.9557	0.204	6	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2	H(C[5,5]N[5,5]C[5]S[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2{1|O<1>,2|C<4>}	H(C[5,5]N[5,5]C[5]S[5])	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:Se[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H)	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2	H(C[5,5]N[5,5]Se[5]C[5])	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H){1|Se<1>,1|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	H(C[5,5]N[5,5]Se[5]C[5])	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	110.9799	2.925	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	3:4:4:2:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.1440	0.000	1	110.1440	0.000	1	109.0052	6.456	5	109.0052	6.456	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	3:4:4:2:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6])	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6]){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.0680	0.000	1	110.0680	0.000	1	109.0052	6.456	5	109.0052	6.456	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	3:4:4:2:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	110.1765	0.067	2	110.1765	0.005	2	109.0052	6.456	5	109.0052	6.456	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	3:4:4:2:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]N[5])	104.4610	0.000	1	104.4610	0.000	1	109.0052	6.456	5	109.0052	6.456	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	111.5410	0.000	1	111.1830	0.256	2	111.0033	0.225	3	110.7335	0.737	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]N[5,5]C[5]2)	110.8250	0.000	1	111.1830	0.256	2	111.0033	0.225	3	110.7335	0.737	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.6440	0.000	1	110.6440	0.000	1	111.0033	0.225	3	110.7335	0.737	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3740	0.000	1	110.3740	0.000	1	110.4637	1.400	3	110.7335	0.737	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.3280	0.000	1	109.3280	0.000	1	110.4637	1.400	3	110.7335	0.737	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H){1|H<1>,1|S<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5]N[5,5]C[5]2)	111.6890	0.000	1	111.6890	0.000	1	110.4637	1.400	3	110.7335	0.737	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){1|C<4>,3|H<1>,6|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	109.9025	0.251	4	109.9025	0.063	4	109.9025	0.063	4	109.9025	0.063	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(COO){2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H){1|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	107.8700	1.863	3	107.8700	3.469	3	107.8700	3.469	3	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.3287	0.267	4	110.3862	0.119	6	110.3862	0.119	6	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.0870	0.000	1	110.3862	0.119	6	110.3862	0.119	6	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]N[3x5]C[5]2)	110.9150	0.000	1	110.3862	0.119	6	110.3862	0.119	6	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4550	0.518	2	109.4550	0.268	2	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8140	0.168	2	109.8140	0.028	2	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5,5]N[5,5]C[5]2)	110.4830	0.000	1	110.4830	0.000	1	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,1|S<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0010	0.000	1	110.0010	0.000	1	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	112.1680	0.000	1	112.1680	0.000	1	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H){1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7498	0.537	6	110.7498	0.288	6	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>}	H(C[5,5]N[5,5]C[5]2)	111.3540	0.000	1	111.3540	0.000	1	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|Rh<5>,1|N<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,1|P<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5065	0.419	2	110.5065	0.176	2	110.5035	0.612	16	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	110.4220	0.000	1	110.7505	0.216	2	110.7505	0.216	2	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<4>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	111.0790	0.000	1	110.7505	0.216	2	110.7505	0.216	2	110.1879	1.467	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	104.9300	0.221	2	104.9300	0.049	2	104.9300	0.049	2	107.1527	7.655	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H){1|C<3>,4|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	108.1200	0.000	1	108.1200	0.000	1	109.3755	3.153	2	107.1527	7.655	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	110.6310	0.000	1	110.6310	0.000	1	109.3755	3.153	2	107.1527	7.655	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.8193	0.311	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H){1|C<3>,4|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	110.0400	0.000	1	110.0400	0.000	1	110.1365	0.019	2	109.8193	0.311	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	110.2330	0.000	1	110.2330	0.000	1	110.1365	0.019	2	109.8193	0.311	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:3:1:	4:4:4:3:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(CH3)(COO)	H(C[5,5]N[5,5]C[5]N[5])	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]N[5])	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.3430	0.000	1	108.3430	0.000	1	108.5440	0.086	3	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.4090	0.000	1	108.6445	0.111	2	108.5440	0.086	3	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.8800	0.000	1	108.6445	0.111	2	108.5440	0.086	3	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.5310	0.000	1	109.5310	0.000	1	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6905	0.040	2	109.6905	0.002	2	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.0895	1.346	2	109.0895	1.811	2	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9680	0.093	2	109.8350	0.057	3	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5690	0.000	1	109.8350	0.057	3	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.2620	0.000	1	109.2620	0.000	1	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0970	0.522	3	110.0970	0.272	3	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3480	0.000	1	109.3480	0.000	1	109.6536	0.338	13	109.4896	0.485	17	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.3900	0.000	1	111.3900	0.000	1	110.4052	0.834	5	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1470	0.000	1	111.1470	0.000	1	110.4052	0.834	5	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.2760	0.000	1	109.2760	0.000	1	110.4052	0.834	5	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	109.6820	0.000	1	109.6820	0.000	1	110.4052	0.834	5	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5310	0.000	1	110.5310	0.000	1	110.4052	0.834	5	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.3170	0.000	1	109.3170	0.000	1	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2{1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1675	0.439	4	110.1675	0.193	4	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.4830	0.000	1	109.4830	0.000	1	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.8270	0.000	1	110.6442	0.983	4	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	111.4980	0.180	2	110.6442	0.983	4	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.7540	0.000	1	110.6442	0.983	4	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.1070	0.000	1	109.5446	2.548	7	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.0210	0.000	1	109.5446	2.548	7	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	110.6080	0.000	1	109.5446	2.548	7	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4030	0.000	1	109.5446	2.548	7	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	107.9440	1.585	2	109.5446	2.548	7	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7850	0.000	1	109.5446	2.548	7	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]C[5]2)	111.2230	0.000	1	111.2230	0.000	1	110.0046	1.428	18	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.8820	0.000	1	109.8820	0.000	1	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9592	0.603	6	110.0444	0.354	7	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5560	0.000	1	110.0444	0.354	7	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5800	0.000	1	109.5800	0.000	1	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9930	0.000	1	109.9930	0.000	1	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2760	0.595	2	109.4810	0.274	6	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1220	0.141	2	109.4810	0.274	6	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0450	0.139	2	109.4810	0.274	6	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1860	0.000	1	110.1860	0.000	1	109.8140	0.298	17	109.9736	0.865	40	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0593	0.403	6	111.0593	0.163	6	111.1159	0.158	7	111.1159	0.158	7	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4550	0.000	1	111.4550	0.000	1	111.1159	0.158	7	111.1159	0.158	7	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H){1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	109.4020	0.000	1	109.4020	0.000	1	109.4285	0.001	2	110.1285	1.332	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H){1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	109.4550	0.000	1	109.4550	0.000	1	109.4285	0.001	2	110.1285	1.332	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	110.1285	1.332	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]N[5,6a]C[5,5]C[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[5,5]N[5,6a]C[5,5]C[5])	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	110.1285	1.332	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:4:2:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO){1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:2:4:4:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2{2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1316	0.334	5	110.1316	0.112	5	109.5742	0.933	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.2580	0.000	1	107.2580	0.000	1	109.5742	0.933	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3400	0.000	1	109.3400	0.000	1	109.5742	0.933	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.5490	0.000	1	109.5490	0.000	1	109.5742	0.933	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3630	0.000	1	109.3630	0.000	1	109.5742	0.933	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	111.5295	0.207	2	112.1410	0.520	4	112.1770	0.396	5	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.7525	0.144	2	112.1410	0.520	4	112.1770	0.396	5	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H){2|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.3210	0.000	1	112.3210	0.000	1	112.1770	0.396	5	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.2137	0.477	6	112.2137	0.227	6	112.2137	0.227	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.7100	0.000	1	110.7100	0.000	1	111.1700	0.423	2	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.6300	0.000	1	111.6300	0.000	1	111.1700	0.423	2	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4930	0.000	1	111.4930	0.000	1	111.7614	0.173	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.2605	0.262	2	111.2605	0.069	2	111.7614	0.173	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9735	0.202	2	111.9735	0.041	2	111.7614	0.173	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.5580	0.000	1	111.5580	0.000	1	111.7614	0.173	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.2630	0.249	2	112.2630	0.062	2	111.7614	0.173	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.8080	0.000	1	111.8080	0.000	1	111.7614	0.173	9	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2135	1.948	2	111.2135	3.795	2	111.2135	3.795	2	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8340	0.000	1	110.8340	0.000	1	110.8340	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[3x5]C[5]2)	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,5]N[5,5,6]C[5]2)	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.7808	0.590	5	111.7175	0.303	6	111.7175	0.303	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.4010	0.000	1	111.7175	0.303	6	111.7175	0.303	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2720	0.000	1	109.2720	0.000	1	109.2420	0.571	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3360	0.000	1	109.3360	0.000	1	109.2420	0.571	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5750	0.000	1	108.5750	0.000	1	109.2420	0.571	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1120	1.312	2	109.1120	1.722	2	109.2420	0.571	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0450	0.000	1	110.0450	0.000	1	109.2420	0.571	6	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0040	0.000	1	110.0040	0.000	1	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9580	0.000	1	109.9580	0.000	1	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.5390	0.000	1	109.5390	0.000	1	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8660	0.000	1	109.8660	0.000	1	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.7745	0.380	2	109.7745	0.144	2	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|B<4>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|B<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	106.7520	0.000	1	108.8280	1.744	5	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.0630	0.000	1	108.8280	1.744	5	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.4930	0.000	1	108.8280	1.744	5	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9160	0.361	2	108.8280	1.744	5	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	H(C[5,5]N[5,5]C[5]2)	110.7440	0.000	1	110.7440	0.000	1	109.4833	1.061	12	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8505	0.342	2	110.8505	0.117	2	110.8505	0.117	2	110.7564	1.842	68	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	109.6980	0.798	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5407	1.024	3	109.5407	1.048	3	109.5407	1.048	3	109.6980	0.798	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:2:2:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H){1|H<1>,2|O<2>,6|C<3>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9896	0.597	5	110.8321	0.222	10	110.8319	0.199	11	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.6746	0.283	5	110.8321	0.222	10	110.8319	0.199	11	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8300	0.000	1	110.8300	0.000	1	110.8319	0.199	11	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.2400	0.000	1	112.2400	0.000	1	110.9020	3.580	2	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	109.5640	0.000	1	109.5640	0.000	1	110.9020	3.580	2	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|O<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(COO)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5,5]N[5,5]C[5]2)	109.9755	0.177	2	109.9755	0.032	2	109.9755	0.032	2	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H)	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H)	H(C[5,5]N[5,5a]C[5,5]C[5])	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]N[5,5a]C[5,5]C[5])	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.5965	0.555	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H){2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.2270	0.000	1	110.2270	0.000	1	111.0743	0.761	3	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|C<4>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H){1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0260	0.000	1	111.0260	0.000	1	111.0743	0.761	3	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9700	0.000	1	111.9700	0.000	1	111.0743	0.761	3	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.6525	0.050	2	109.6525	0.003	2	109.6525	0.003	2	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9600	0.079	2	109.9600	0.006	2	109.9600	0.006	2	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1920	0.175	3	111.1920	0.031	3	111.3698	0.075	5	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.6365	0.060	2	111.6365	0.004	2	111.3698	0.075	5	110.9534	0.932	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:3:4:4:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.8530	0.034	2	110.8530	0.001	2	110.8530	0.001	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1378	0.345	5	110.1378	0.119	5	110.1378	0.119	5	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.2410	0.158	2	108.2410	0.025	2	108.1083	1.281	10	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2{2|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.8570	0.000	1	108.8570	0.000	1	108.1083	1.281	10	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.2790	0.000	1	108.2790	0.000	1	108.1083	1.281	10	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.1510	0.516	2	108.1510	0.266	2	108.1083	1.281	10	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.2010	0.000	1	107.2010	0.000	1	108.1083	1.281	10	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2{1|C<3>,1|N<2>,3|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5350	0.000	1	110.5350	0.000	1	108.1083	1.281	10	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(H){2|Cu<2>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2{1|Cu<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.7135	0.039	2	106.7135	0.002	2	108.1083	1.281	10	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5a]C[5,5]C[5])	111.5380	0.000	1	111.5380	0.000	1	112.0715	0.569	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5a]C[5,5]C[5])	112.6050	0.000	1	112.6050	0.000	1	112.0715	0.569	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H){4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2{2|C<4>,2|H<1>,6|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	132.0110	0.000	1	132.0110	0.000	1	132.0110	0.000	1	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	106.6530	0.000	1	106.6530	0.000	1	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9300	0.000	2	110.9300	0.000	2	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4665	0.009	2	111.4665	0.000	2	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4335	0.083	2	111.4335	0.007	2	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|N<3>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9960	0.341	3	110.9960	0.117	3	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.7604	0.192	5	111.7604	0.037	5	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9343	0.208	4	111.9343	0.043	4	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.0837	2.784	3	112.0345	3.114	6	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9853	0.168	3	112.0345	3.114	6	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9310	0.000	1	111.9310	0.000	1	111.4607	1.758	26	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]N[3x5]C[5]2)	109.3480	0.000	1	109.7325	0.296	2	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.1170	0.000	1	109.7325	0.296	2	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[3x5]C[5]2)	110.6020	0.000	1	110.6020	0.000	1	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.5460	0.000	1	109.9705	0.194	6	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[3x5]C[5]2)	109.5420	0.000	1	109.9705	0.194	6	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[3x5]C[5]2)	110.1400	0.000	1	109.9705	0.194	6	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.1350	0.000	1	109.9705	0.194	6	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[3x5]C[5]2)	109.3520	0.000	1	109.9705	0.194	6	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.1080	0.000	1	109.9705	0.194	6	109.9878	0.222	9	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]N[5,5,6]C[5]2)	111.8570	0.000	1	110.7005	2.675	2	110.7005	2.675	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]N[5,5,6]C[5]2)	109.5440	0.000	1	110.7005	2.675	2	110.7005	2.675	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]N[5,5,6]C[5]2)	111.4470	0.000	1	111.2265	0.097	2	111.2265	0.097	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{3|H<1>,4|C<4>}	H(C[5,5]N[5,5,6]C[5]2)	111.0060	0.000	1	111.2265	0.097	2	111.2265	0.097	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.5030	0.000	1	111.5030	0.000	1	109.5844	2.015	8	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.7900	0.000	1	107.8040	0.000	2	109.5844	2.015	8	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.8180	0.000	1	107.8040	0.000	2	109.5844	2.015	8	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.4090	0.000	1	108.4090	0.000	1	109.5844	2.015	8	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.4470	0.000	1	110.2887	0.240	4	109.5844	2.015	8	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.2360	0.585	3	110.2887	0.240	4	109.5844	2.015	8	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]N[5,5]C[5]2)	110.1390	0.000	1	110.2922	0.024	4	110.1459	0.247	11	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]N[5,5]C[5]2)	110.3433	0.141	3	110.2922	0.024	4	110.1459	0.247	11	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9705	0.618	6	110.0623	0.377	7	110.1459	0.247	11	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.6130	0.000	1	110.0623	0.377	7	110.1459	0.247	11	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,4|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3885	0.545	2	109.3885	0.297	2	109.6212	0.138	5	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9970	0.000	1	109.9970	0.000	1	109.6212	0.138	5	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6660	0.013	2	109.6660	0.000	2	109.6212	0.138	5	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1620	0.000	1	110.2960	0.018	4	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3407	0.122	3	110.2960	0.018	4	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8633	0.165	6	108.8633	0.027	6	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	108.5483	0.125	3	108.5483	0.016	3	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4340	0.000	1	109.3640	0.010	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2940	0.000	1	109.3640	0.010	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5570	0.000	1	109.3740	1.335	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1910	0.000	1	109.3740	1.335	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5830	0.000	1	108.5830	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1883	0.357	7	109.1883	0.128	7	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9650	0.072	2	109.9650	0.005	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5920	0.000	1	109.5920	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7080	0.000	1	109.7080	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1420	0.000	1	110.1420	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6400	0.000	1	109.8840	0.119	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1280	0.000	1	109.8840	0.119	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6370	0.095	2	109.6370	0.009	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9510	0.489	2	109.7960	1.663	14	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9368	1.339	12	109.7960	1.663	14	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5810	0.000	1	109.3520	0.105	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.1230	0.000	1	109.3520	0.105	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	110.4980	0.000	1	110.4113	0.006	3	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|Cl<1>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3680	0.000	2	110.4113	0.006	3	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|C<4>,3|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9320	0.000	1	109.9320	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3845	0.545	2	109.3845	0.297	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	107.8340	0.000	1	108.9010	2.277	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9680	0.000	1	108.9010	2.277	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8610	0.000	1	108.8610	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4547	1.002	3	109.7810	0.777	5	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8820	0.000	1	109.7810	0.777	5	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.6590	0.000	1	109.7810	0.777	5	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.8180	0.000	1	109.7883	0.059	3	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.7735	0.340	2	109.7883	0.059	3	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8190	0.000	1	110.5280	1.005	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.2370	0.000	1	110.5280	1.005	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.4660	0.000	1	107.4405	18.334	4	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	103.7710	0.942	2	107.4405	18.334	4	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7540	0.000	1	107.4405	18.334	4	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	102.4620	0.000	1	102.4620	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3660	0.000	1	110.3660	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.1060	0.000	1	111.1060	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9360	0.000	1	110.1695	0.760	6	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0870	0.000	1	110.1695	0.760	6	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0210	0.000	1	110.1695	0.760	6	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.8830	0.000	1	110.1695	0.760	6	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){2|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5450	0.038	2	110.1695	0.760	6	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9110	0.000	1	109.8585	0.006	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8060	0.000	1	109.8585	0.006	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0280	0.000	1	110.0280	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4270	0.000	1	110.4270	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|S<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8030	0.000	1	109.8030	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4180	0.000	1	110.4180	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|S<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2{2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8710	0.000	1	109.8710	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|B<4>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5620	0.000	1	109.2524	0.575	5	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2020	0.000	1	109.2524	0.575	5	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5060	0.000	1	109.2524	0.575	5	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9960	0.396	2	109.2524	0.575	5	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,1|S<4>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9270	0.146	2	109.9270	0.021	2	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|S<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7910	0.000	1	110.7910	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2550	0.000	1	109.2550	0.000	1	109.5073	1.937	98	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6310	0.093	2	109.6310	0.009	2	109.6310	0.009	2	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	O[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]O[3x5]C[5]2)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]O[3x5]C[5]2)	113.8035	1.886	2	113.9958	2.997	4	113.9958	2.997	4	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	O[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]O[3x5]C[5]2)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]O[3x5]C[5]2)	114.1880	2.300	2	113.9958	2.997	4	113.9958	2.997	4	110.1027	5.093	190	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8810	0.000	1	109.3780	0.506	2	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){3|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.8750	0.000	1	109.3780	0.506	2	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5830	0.000	1	110.5830	0.000	1	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.1960	0.000	1	111.1960	0.000	1	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3632	0.366	4	110.3632	0.134	4	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.7980	0.310	2	109.7980	0.096	2	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1300	0.000	1	109.4510	0.096	3	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.4740	0.000	1	109.4510	0.096	3	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.7490	0.000	1	109.4510	0.096	3	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.0837	0.175	4	109.3611	0.152	7	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7435	0.313	2	109.3611	0.152	7	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.7060	0.000	1	109.3611	0.152	7	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5605	1.060	2	108.5605	1.124	2	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.7900	0.000	1	108.7900	0.000	1	109.6250	0.569	23	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]N[5,6a]C[5,5]C[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,5]N[5,6a]C[5,5]C[5])	111.8890	0.113	2	111.8890	0.013	2	111.8890	0.013	2	109.8954	1.060	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:2:2:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.1840	0.126	2	108.1840	0.016	2	107.5216	1.829	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.1540	0.491	2	108.1540	0.241	2	107.5216	1.829	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.3605	2.504	2	106.6583	3.401	3	107.5216	1.829	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.2540	0.000	1	106.6583	3.401	3	107.5216	1.829	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H){2|H<1>,9|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H){5|H<1>,6|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H)	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5,6]C[5]2)	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.7760	0.000	1	108.7760	0.000	1	108.9216	0.057	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.8350	0.000	1	108.8350	0.000	1	108.9216	0.057	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.9187	0.173	3	108.9187	0.030	3	108.9216	0.057	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.7060	0.000	1	108.7060	0.000	1	108.9216	0.057	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.3780	0.000	1	109.3780	0.000	1	108.9216	0.057	7	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6620	0.000	1	109.4135	0.124	2	109.4943	0.081	3	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1650	0.000	1	109.4135	0.124	2	109.4943	0.081	3	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6560	0.000	1	109.6560	0.000	1	109.4943	0.081	3	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1840	0.000	1	110.1840	0.000	1	109.4102	0.594	4	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]N[5,5]C[5]2)	108.6040	0.000	1	108.6040	0.000	1	109.4102	0.594	4	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9430	0.000	1	109.9430	0.000	1	109.4102	0.594	4	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]C[5]2)	108.9100	0.000	1	108.9100	0.000	1	109.4102	0.594	4	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	106.1970	0.000	1	106.1970	0.000	1	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.2650	0.000	1	109.4034	0.391	10	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.1470	0.000	1	109.4034	0.391	10	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8340	0.000	1	109.4034	0.391	10	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3983	0.736	7	109.4034	0.391	10	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9275	0.552	2	108.9275	0.305	2	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	107.8100	0.000	1	107.8100	0.000	1	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.3370	0.000	1	110.3370	0.000	1	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5580	0.000	1	110.5580	0.000	1	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3125	0.636	2	109.2097	0.153	4	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1070	0.116	2	109.2097	0.153	4	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0225	0.187	2	110.0225	0.035	2	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.5840	0.000	1	108.5840	0.000	1	109.2287	0.940	23	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.3590	0.580	2	109.3590	0.336	2	109.3181	0.420	13	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.1997	0.348	7	109.1997	0.121	7	109.3181	0.420	13	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.0200	0.000	1	110.0200	0.000	1	109.3181	0.420	13	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	107.8360	0.000	1	107.8360	0.000	1	109.3181	0.420	13	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9700	0.000	1	109.9700	0.000	1	109.3181	0.420	13	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1930	0.000	1	110.1930	0.000	1	109.3181	0.420	13	109.1346	1.229	61	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	104.6130	0.000	1	104.6130	0.000	1	104.6130	0.000	1	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0530	0.000	1	110.0530	0.000	1	111.0173	0.698	3	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4910	0.000	1	111.4910	0.000	1	111.0173	0.698	3	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.5080	0.000	1	111.5080	0.000	1	111.0173	0.698	3	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[3,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.6505	1.071	2	108.6505	1.148	2	108.6505	1.148	2	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[4]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.5100	0.000	1	108.5100	0.000	1	109.9708	1.393	9	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2350	0.000	1	109.2350	0.000	1	109.9708	1.393	9	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|Cl<1>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4050	0.000	2	110.4050	0.000	2	109.9708	1.393	9	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.3100	0.000	1	108.3100	0.000	1	109.9708	1.393	9	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9460	0.000	1	110.7180	1.034	4	109.9708	1.393	9	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.5900	0.199	2	110.7180	1.034	4	109.9708	1.393	9	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7460	0.000	1	110.7180	1.034	4	109.9708	1.393	9	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3540	0.000	1	109.3540	0.000	1	109.4145	0.007	2	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.4750	0.000	1	109.4750	0.000	1	109.4145	0.007	2	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	109.7068	2.751	19	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:3:	4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.7148	0.227	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(COO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(COO){1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	108.7148	0.227	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.4725	0.216	2	108.4725	0.047	2	108.5307	0.033	3	108.7148	0.227	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	3:4:4:1:	4:4:4:3:	4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.6470	0.000	1	108.6470	0.000	1	108.5307	0.033	3	108.7148	0.227	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:2:2:1:	4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:3:4:2:	4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH){1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.4975	0.045	2	110.6530	0.074	3	110.6530	0.074	3	110.1213	1.180	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.9640	0.000	1	110.6530	0.074	3	110.6530	0.074	3	110.1213	1.180	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5,5]-4:Se[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]Se[5]C[5])	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]Se[5]C[5])	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	110.1213	1.180	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	109.9565	3.006	2	109.9565	9.036	2	110.5810	5.688	3	110.5810	5.688	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.8300	0.000	1	111.8300	0.000	1	110.5810	5.688	3	110.5810	5.688	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]S[5])	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,5]N[5,5]C[5]S[5])	109.3300	0.000	1	109.4545	0.031	2	109.4545	0.031	2	109.4545	0.031	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]S[5])	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]S[5])	109.5790	0.000	1	109.4545	0.031	2	109.4545	0.031	2	109.4545	0.031	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5,6]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5,6]C[5]2)	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	109.3540	0.903	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	109.3540	0.903	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[3x5]C[5]2)	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.6550	0.185	2	112.6550	0.034	2	112.6550	0.034	2	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.9090	0.000	1	110.9090	0.000	1	112.7605	6.856	2	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	114.6120	0.000	1	114.6120	0.000	1	112.7605	6.856	2	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.2520	0.183	3	109.2520	0.033	3	109.2520	0.033	3	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.0050	0.607	2	110.0050	0.368	2	109.9904	0.170	7	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,6]N[5,5]C[5])	109.7910	0.000	1	109.7417	0.104	3	109.9904	0.170	7	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,6]N[5,5]C[5])	109.7170	0.453	2	109.7417	0.104	3	109.9904	0.170	7	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.3490	0.048	2	110.3490	0.002	2	109.9904	0.170	7	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5120	0.000	1	109.5120	0.000	1	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1950	0.000	1	109.1950	0.000	1	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5150	0.505	8	109.5316	0.225	9	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6640	0.000	1	109.5316	0.225	9	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9970	0.000	1	109.9970	0.000	1	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7020	0.000	1	110.3593	0.284	12	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4191	0.515	11	110.3593	0.284	12	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4650	0.000	1	109.4650	0.000	1	109.9306	0.396	25	110.2315	1.254	41	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:3:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	111.3106	0.930	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.7085	0.634	2	110.7085	0.402	2	110.7085	0.402	2	111.3106	0.930	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	111.1190	0.024	2	111.1190	0.001	2	111.1190	0.001	2	111.3106	0.930	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH){1|H<1>,1|O<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:2:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[3x5,6,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H)	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2	H(C[5,5]C[3x5,6,6]C[5]2)	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,5]C[3x5,6,6]C[5]2)	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	112.6827	0.199	3	112.6827	0.039	3	112.6827	0.039	3	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|B<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4265	0.513	2	110.4265	0.263	2	110.6077	0.230	3	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9700	0.000	1	110.9700	0.000	1	110.6077	0.230	3	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5]C[5]2)	113.8460	0.000	1	113.8460	0.000	1	112.7503	0.905	3	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.1310	0.000	1	112.2025	0.010	2	112.7503	0.905	3	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2740	0.000	1	112.2025	0.010	2	112.7503	0.905	3	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.4405	0.088	2	110.4405	0.008	2	110.4405	0.008	2	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]N[5,5]C[5]2)	110.8070	0.000	1	110.8070	0.000	1	110.8070	0.000	1	111.5191	1.255	15	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H){1|N<3>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	112.8822	0.291	4	112.8822	0.085	4	112.8822	0.085	4	111.8198	1.095	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1160	0.027	2	111.1160	0.001	2	111.1307	0.001	3	111.8198	1.095	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1600	0.000	1	111.1600	0.000	1	111.1307	0.001	3	111.8198	1.095	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7285	0.428	2	110.7285	0.183	2	110.7285	0.183	2	111.8198	1.095	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:2:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0360	0.130	2	110.0360	0.017	2	110.0360	0.017	2	110.5583	0.397	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	110.5583	0.397	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	110.5583	0.397	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8490	0.000	1	110.9880	2.595	2	109.6208	0.461	23	109.6208	0.461	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	112.1270	0.000	1	110.9880	2.595	2	109.6208	0.461	23	109.6208	0.461	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Cu<3>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Cu<3>,1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1905	0.903	2	109.4906	0.173	21	109.6208	0.461	23	109.6208	0.461	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Ni<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Ni<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2960	0.000	1	109.4906	0.173	21	109.6208	0.461	23	109.6208	0.461	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,3|C<4>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5333	0.543	6	109.4906	0.173	21	109.6208	0.461	23	109.6208	0.461	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6567	0.157	9	109.4906	0.173	21	109.6208	0.461	23	109.6208	0.461	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1720	0.309	3	109.4906	0.173	21	109.6208	0.461	23	109.6208	0.461	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(COO)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(COO)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.1400	0.251	5	111.1400	0.063	5	111.1400	0.063	5	110.5331	0.759	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1360	0.000	1	110.1360	0.000	1	109.7745	0.560	4	110.5331	0.759	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	110.6520	0.000	1	109.9405	1.012	2	109.7745	0.560	4	110.5331	0.759	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2290	0.000	1	109.9405	1.012	2	109.7745	0.560	4	110.5331	0.759	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.0810	0.000	1	109.0810	0.000	1	109.7745	0.560	4	110.5331	0.759	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3790	0.000	1	110.3790	0.000	1	109.0910	3.318	2	109.0910	3.318	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	107.8030	0.000	1	107.8030	0.000	1	109.0910	3.318	2	109.0910	3.318	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H){6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2{1|C<4>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	94.8893	0.000	1	94.8893	0.000	1	94.8893	0.000	1	102.3202	110.435	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	102.3202	110.435	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.0180	0.000	1	109.0180	0.000	1	109.1751	0.034	8	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.3805	0.060	2	109.3805	0.004	2	109.1751	0.034	8	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3,5]N[5,5]C[5])	108.9270	0.000	1	109.1244	0.029	5	109.1751	0.034	8	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.1737	0.149	4	109.1244	0.029	5	109.1751	0.034	8	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3x5,6]N[5,5]C[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[3x5,6]N[5,5]C[5])	110.5015	0.305	2	109.8395	0.287	6	109.8395	0.287	6	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3x5,6]N[5,5]C[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[3x5,6]N[5,5]C[5])	109.5085	0.094	4	109.8395	0.287	6	109.8395	0.287	6	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.3430	0.146	2	111.3430	0.021	2	111.3430	0.021	2	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[4,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[4,5]N[5,5]C[5])	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,5|H<1>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[4,5]N[5,5]C[5])	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H){2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3090	0.082	2	110.3090	0.007	2	110.7298	2.398	6	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.4310	1.041	2	112.4310	1.083	2	110.7298	2.398	6	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3100	0.000	1	110.3100	0.000	1	110.7298	2.398	6	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.5890	0.000	1	108.5890	0.000	1	110.7298	2.398	6	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6500	0.156	3	109.2624	0.526	7	109.5168	1.025	16	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.6210	0.714	3	109.2624	0.526	7	109.5168	1.025	16	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.0240	0.000	1	109.2624	0.526	7	109.5168	1.025	16	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.5370	0.000	1	110.5370	0.000	1	109.5168	1.025	16	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.6780	0.105	4	108.6780	0.011	4	109.5168	1.025	16	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.5457	1.101	4	110.5457	1.213	4	109.5168	1.025	16	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,6]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]N[5,6]C[5])	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2{1|Se<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]N[5,6]C[5])	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[5,6]N[5,5]C[5])	110.1600	0.000	1	110.1600	0.000	1	108.9715	2.825	2	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,6]N[5,5]C[5])	107.7830	0.000	1	107.7830	0.000	1	108.9715	2.825	2	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2918	0.456	5	109.2918	0.207	5	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6050	0.371	3	109.7267	0.537	7	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.6640	0.000	2	109.7267	0.537	7	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9720	0.064	2	109.7267	0.537	7	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0525	0.494	2	110.0525	0.244	2	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.7613	0.392	3	110.7613	0.153	3	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.4520	0.868	3	109.3743	3.904	4	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	112.1410	0.000	1	109.3743	3.904	4	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5810	0.000	1	109.5810	0.000	1	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.2800	0.000	1	111.2800	0.000	1	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.8310	0.000	1	109.8310	0.000	1	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Cu<3>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2190	0.895	2	109.4433	0.171	21	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Ni<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3150	0.000	1	109.4433	0.171	21	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.5550	0.466	6	109.4433	0.171	21	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6314	0.149	8	109.4433	0.171	21	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.0440	0.302	4	109.4433	0.171	21	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1190	0.000	1	109.7578	0.525	4	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9245	1.009	2	109.7578	0.525	4	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0630	0.000	1	109.7578	0.525	4	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.3980	0.000	1	110.3980	0.000	1	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	111.4770	0.000	1	111.4770	0.000	1	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<2>,3|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.7430	0.447	2	110.9267	0.201	3	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,3|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	111.2940	0.000	1	110.9267	0.201	3	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|S<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.8560	0.000	1	110.8560	0.000	1	109.7814	0.735	55	109.8104	1.646	100	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.1740	2.882	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	109.1740	2.882	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]N[5,5]C[5])	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	109.1740	2.882	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]C[5,6]N[5,5]C[5])	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	H(C[5,5]C[5,6]N[5,5]C[5])	108.2915	0.131	2	108.2915	0.017	2	108.2915	0.017	2	109.1740	2.882	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	109.1740	2.882	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:2:2:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CN)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.3305	0.070	4	110.3305	0.005	4	110.3305	0.005	4	110.3305	0.005	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	106.5940	0.000	1	106.5940	0.000	1	106.5940	0.000	1	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9750	0.228	3	109.2788	0.209	5	109.3103	0.173	6	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7345	0.200	2	109.2788	0.209	5	109.3103	0.173	6	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.4680	0.000	1	109.4680	0.000	1	109.3103	0.173	6	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6050	0.414	3	109.3610	0.197	5	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.0010	0.000	1	109.3610	0.197	5	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,4|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	108.9890	0.000	1	109.3610	0.197	5	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.6440	0.000	2	110.6440	0.000	2	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2180	0.000	1	109.5012	0.247	8	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.6720	0.000	1	109.5012	0.247	8	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3366	0.391	5	109.5012	0.247	8	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.4370	0.000	1	109.5012	0.247	8	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	109.6350	0.000	1	109.6350	0.000	1	109.6086	0.338	16	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.0585	0.459	2	110.0585	0.211	2	110.0313	0.108	3	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.9770	0.000	1	109.9770	0.000	1	110.0313	0.108	3	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5150	0.291	2	110.7253	0.175	3	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.1460	0.000	1	110.7253	0.175	3	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.7730	0.000	1	110.3221	0.242	11	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5673	0.157	6	110.3221	0.242	11	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.8570	0.000	1	110.3221	0.242	11	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1900	0.000	1	110.3221	0.242	11	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.1595	0.135	2	110.3221	0.242	11	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2600	0.000	1	108.4643	0.849	3	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.0665	0.865	2	108.4643	0.849	3	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5060	0.000	1	110.5060	0.000	1	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.3940	0.000	1	109.3940	0.000	1	110.0533	0.824	19	109.7159	0.753	47	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H){2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.5985	0.114	2	110.5985	0.013	2	110.2810	0.669	4	110.2810	0.669	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	109.9635	1.261	2	109.9635	1.590	2	110.2810	0.669	4	110.2810	0.669	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H){2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-4:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.3500	0.000	1	110.8357	0.338	3	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.0785	0.568	2	110.8357	0.338	3	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.3365	0.504	2	111.3365	0.254	2	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4670	0.562	3	111.4670	0.316	3	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0980	0.260	2	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7390	1.534	2	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.2960	0.000	1	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.8800	0.000	1	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<6>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.4545	5.803	2	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<4>,1|C<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.6472	0.286	4	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.0590	0.000	1	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.6640	0.000	1	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.8820	0.000	1	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<4>,1|C<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.5575	0.155	2	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<8>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.3700	0.000	1	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.0680	0.085	2	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.3280	0.564	2	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.5415	0.217	2	111.6380	1.787	24	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5740	0.000	1	111.5740	0.000	1	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.8605	0.159	2	111.8605	0.025	2	111.5483	1.315	35	111.5483	1.315	35	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.8350	0.148	2	112.8350	0.022	2	112.8350	0.022	2	112.4217	0.524	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	112.4217	0.524	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:3:3:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,5]C[3x5]O[5]H)(N[5]C[5]H)(CC[6a]O)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5,5]C[3x5]O[5]H)(N[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	112.7160	0.000	2	112.7160	0.000	2	112.7160	0.000	2	112.7160	0.000	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	112.3972	0.359	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	112.3972	0.359	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7040	0.407	2	112.7040	0.166	2	112.7040	0.166	2	112.3972	0.359	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){1|C<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2{1|B<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4303	0.274	4	111.1619	0.183	14	111.1619	0.183	14	111.1619	0.183	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2{1|B<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0546	0.441	10	111.1619	0.183	14	111.1619	0.183	14	111.1619	0.183	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	110.9980	0.071	2	110.9980	0.005	2	110.9980	0.005	2	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.5280	0.000	1	111.5280	0.000	1	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8560	0.000	1	110.8560	0.000	1	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0350	0.000	1	111.0350	0.000	1	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0530	0.000	1	112.0530	0.000	1	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1735	0.168	2	112.1735	0.028	2	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	110.8130	0.000	1	110.8130	0.000	1	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.7050	0.000	1	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.0520	2.584	2	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.2165	0.459	2	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	115.6470	0.000	1	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1330	0.000	1	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7600	0.870	4	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.3610	0.219	2	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.8265	0.012	2	112.8958	1.933	15	112.4577	1.831	22	112.3360	1.842	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2665	0.042	2	111.2665	0.002	2	112.0560	0.417	21	112.0560	0.417	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.4500	0.119	2	112.0991	0.419	16	112.0560	0.417	21	112.0560	0.417	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0490	0.679	14	112.0991	0.419	16	112.0560	0.417	21	112.0560	0.417	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1780	0.000	1	112.1780	0.000	1	112.0560	0.417	21	112.0560	0.417	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9620	0.000	1	111.9620	0.000	1	112.0560	0.417	21	112.0560	0.417	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.9180	0.000	1	112.9180	0.000	1	112.0560	0.417	21	112.0560	0.417	21	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-3:Br-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	112.1738	0.427	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	112.1738	0.427	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.5550	0.000	1	111.5550	0.000	1	112.1587	0.822	3	112.1738	0.427	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.4605	1.047	2	112.4605	1.097	2	112.1587	0.822	3	112.1738	0.427	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[3x5]C[5]O[5])	110.1510	0.000	1	110.2210	0.004	3	110.2210	0.004	3	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.2560	0.000	2	110.2210	0.004	3	110.2210	0.004	3	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.4400	0.000	1	111.4400	0.000	1	111.7785	0.229	2	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	112.1170	0.000	1	112.1170	0.000	1	111.7785	0.229	2	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.4622	1.148	5	112.4622	1.317	5	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.7690	0.000	1	112.7690	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4070	0.000	1	111.4070	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|N<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.1930	0.000	1	111.1930	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.4800	0.000	1	112.4800	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.2930	0.000	1	114.2930	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2780	0.000	1	112.2780	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9180	0.000	1	110.9180	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9320	0.000	1	112.9320	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.9160	0.000	1	109.4720	4.170	2	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	108.0280	0.000	1	109.4720	4.170	2	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6820	0.000	1	112.6820	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.1680	0.000	1	112.1680	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.5380	0.000	1	113.0897	5.744	3	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.3655	3.321	2	113.0897	5.744	3	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.9220	0.318	2	112.9220	0.101	2	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.2907	1.251	3	112.2907	1.564	3	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.1790	0.000	1	112.1790	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2920	0.000	1	112.4495	0.050	2	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6070	0.000	1	112.4495	0.050	2	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6160	0.000	1	112.5865	0.906	11	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6314	0.928	7	112.5865	0.906	11	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.0215	1.617	2	112.5865	0.906	11	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.3720	0.000	1	112.5865	0.906	11	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8210	0.437	2	111.8210	0.191	2	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0230	0.000	1	112.0230	0.000	1	112.3227	1.523	42	112.1850	1.621	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:2:4:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,3|O<2>}	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.5377	0.441	7	111.5377	0.195	7	111.5482	0.168	8	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2{4|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.6220	0.000	1	111.6220	0.000	1	111.5482	0.168	8	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.6730	1.444	2	111.6730	2.085	2	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.2994	0.291	5	111.2994	0.084	5	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0887	0.138	3	111.0887	0.019	3	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.5350	0.000	1	111.5350	0.000	1	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<2>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4890	0.000	1	112.4890	0.000	1	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.8953	0.490	13	111.8953	0.240	13	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.7785	0.336	2	112.7785	0.113	2	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.1040	0.000	1	112.4824	0.302	9	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3892	0.539	6	112.4824	0.302	9	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4515	0.722	2	112.4824	0.302	9	111.9353	0.479	36	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0260	0.338	3	111.6423	0.665	4	111.6423	0.665	4	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.4910	0.000	1	111.6423	0.665	4	111.6423	0.665	4	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	108.9280	0.000	1	108.9280	0.000	1	111.9406	1.335	14	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7632	0.476	4	111.5264	0.450	5	111.9406	1.335	14	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.5790	0.000	1	111.5264	0.450	5	111.9406	1.335	14	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2915	0.193	2	112.5761	0.342	8	111.9406	1.335	14	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7148	0.722	5	112.5761	0.342	8	111.9406	1.335	14	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4520	0.000	1	112.5761	0.342	8	111.9406	1.335	14	111.8936	0.664	63	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	115.7530	0.000	1	115.7530	0.000	1	112.8010	3.935	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.4330	0.000	1	110.4330	0.000	1	112.8010	3.935	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.1580	0.000	1	113.0695	0.016	2	112.8010	3.935	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9810	0.000	1	113.0695	0.016	2	112.8010	3.935	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.6800	0.000	1	111.6800	0.000	1	112.8010	3.935	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.6040	0.000	1	112.0570	1.663	3	112.0570	1.663	3	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.0650	0.000	1	112.0570	1.663	3	112.0570	1.663	3	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5020	0.000	1	112.0570	1.663	3	112.0570	1.663	3	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.2610	0.000	1	113.2610	0.000	1	112.1473	0.979	3	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.3690	0.000	1	111.3690	0.000	1	112.1473	0.979	3	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.8120	0.000	1	111.8120	0.000	1	112.1473	0.979	3	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.0330	0.000	1	113.0330	0.000	1	112.6664	0.412	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2070	0.966	2	112.5747	0.494	4	112.6664	0.412	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.8840	0.000	1	112.5747	0.494	4	112.6664	0.412	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.0010	0.000	1	112.5747	0.494	4	112.6664	0.412	5	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.7780	0.000	1	112.6303	0.042	3	112.4356	0.238	7	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5565	0.228	2	112.6303	0.042	3	112.4356	0.238	7	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9910	0.000	1	111.9910	0.000	1	112.4356	0.238	7	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7700	0.000	1	112.3890	0.513	3	112.4356	0.238	7	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2240	0.000	1	112.3890	0.513	3	112.4356	0.238	7	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.1730	0.000	1	112.3890	0.513	3	112.4356	0.238	7	112.4782	1.167	23	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:2:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[6a]-3:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-3:Br-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br){1|C<3>,1|O<2>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	112.2083	0.917	3	112.2083	0.841	3	112.2083	0.841	3	112.1630	0.569	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(NCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(NCH)(H){1|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	112.1630	0.569	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:3:2:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	113.9017	1.293	3	113.9017	1.671	3	113.9017	1.671	3	113.1320	1.966	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9775	0.281	2	111.9775	0.079	2	111.9775	0.079	2	113.1320	1.966	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H){1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.4170	0.233	2	111.7663	1.297	3	111.4207	0.697	6	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.4650	0.000	1	111.7663	1.297	3	111.4207	0.697	6	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2650	0.000	1	111.2650	0.000	1	111.4207	0.697	6	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2240	0.000	1	111.2240	0.000	1	111.4207	0.697	6	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.7360	0.000	1	110.7360	0.000	1	111.4207	0.697	6	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8850	0.000	1	111.5540	0.219	2	112.0138	0.178	16	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.2230	0.000	1	111.5540	0.219	2	112.0138	0.178	16	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9510	0.000	1	111.9510	0.000	1	112.0138	0.178	16	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6790	0.000	1	112.6790	0.000	1	112.0138	0.178	16	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3607	0.091	4	112.3607	0.008	4	112.0138	0.178	16	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9420	0.474	4	111.9420	0.225	4	112.0138	0.178	16	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8180	0.278	4	111.8180	0.077	4	112.0138	0.178	16	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7078	0.107	4	111.7078	0.011	4	111.7078	0.011	4	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	111.8622	0.302	29	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.2323	1.793	3	112.2323	3.215	3	112.2323	3.215	3	112.2323	3.215	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	111.2060	0.000	1	111.2060	0.000	1	111.2563	0.930	3	111.2563	0.930	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2815	1.363	2	111.2815	1.857	2	111.2563	0.930	3	111.2563	0.930	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2	H(C[5,5]C[3,5,5]C[5]O[5])	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[3,5,5]C[5]O[5])	112.5652	0.200	4	112.5652	0.040	4	112.5652	0.040	4	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5,6]C[5]O[5])	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5,5]C[3x5,6]C[5]O[5])	110.5130	0.000	1	111.2270	1.020	2	111.2270	1.020	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5,6]C[5]O[5])	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5,5]C[3x5,6]C[5]O[5])	111.9410	0.000	1	111.2270	1.020	2	111.2270	1.020	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[3x5]C[5]O[5])	110.5900	0.000	2	110.4925	0.013	4	111.0540	0.705	7	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	110.3950	0.000	2	110.4925	0.013	4	111.0540	0.705	7	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	112.1980	0.000	1	111.5455	0.852	2	111.0540	0.705	7	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	110.8930	0.000	1	111.5455	0.852	2	111.0540	0.705	7	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,5]C[3x5]C[5]O[5])	112.3170	0.000	1	112.3170	0.000	1	111.0540	0.705	7	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2	H(C[5,5]C[4,5,5]C[5]O[5])	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5,5]C[4,5,5]C[5]O[5])	111.9930	0.000	1	111.9930	0.000	1	111.9675	0.001	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2	H(C[5,5]C[4,5,5]C[5]O[5])	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[4,5,5]C[5]O[5])	111.9420	0.000	1	111.9420	0.000	1	111.9675	0.001	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2	H(C[5,5]C[4x5]C[5]O[5])	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2{1|C<3>,4|C<4>}	H(C[5,5]C[4x5]C[5]O[5])	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5,6]C[5]N[5])	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.6670	0.000	1	111.8025	0.037	2	111.8025	0.037	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.9380	0.000	1	111.8025	0.037	2	111.8025	0.037	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2{3|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	112.1880	0.000	1	112.1880	0.000	1	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H){3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	109.5775	0.021	2	109.5775	0.000	2	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	110.9060	0.000	1	110.9060	0.000	1	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.3425	0.045	2	112.3122	1.789	5	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.3220	0.000	1	112.3122	1.789	5	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	113.7770	0.000	2	112.3122	1.789	5	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5,6]C[5]O[5])	110.5630	0.000	1	110.5630	0.000	1	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|S<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.5690	0.000	1	111.5690	0.000	1	111.4493	1.953	11	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.7715	0.243	2	111.7715	0.059	2	111.1453	0.552	4	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5190	0.167	2	110.5190	0.028	2	111.1453	0.552	4	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3x5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H)	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H)	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.9295	0.025	2	110.9295	0.001	2	110.9295	0.001	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[4x5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H)	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.6945	1.047	2	110.6945	1.097	2	110.6945	1.097	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.9570	1.192	2	113.9570	1.421	2	112.7831	1.569	9	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	114.9370	0.000	1	113.6225	3.456	2	112.7831	1.569	9	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3080	0.000	1	113.6225	3.456	2	112.7831	1.569	9	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9210	0.000	1	111.9778	0.067	5	112.7831	1.569	9	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7755	0.026	2	111.9778	0.067	5	112.7831	1.569	9	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2085	0.272	2	111.9778	0.067	5	112.7831	1.569	9	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.3840	0.000	1	110.3840	0.000	1	110.6905	0.188	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.9970	0.000	1	110.9970	0.000	1	110.6905	0.188	2	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H){1|N<2>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4020	0.000	2	113.1920	0.832	4	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.9820	0.000	2	113.1920	0.832	4	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.0350	0.000	1	112.0350	0.000	1	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.0230	0.000	1	110.0230	0.000	1	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6340	0.000	1	112.6340	0.000	1	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	115.5160	0.100	4	115.5160	0.010	4	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.0470	0.000	1	111.0470	0.000	1	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7990	0.000	1	111.7990	0.000	1	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5530	0.352	2	112.5530	0.124	2	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.7200	0.000	1	111.7200	0.000	1	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0760	0.297	2	112.0760	0.088	2	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.3325	0.507	2	112.3325	0.257	2	112.9006	2.531	20	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:O-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.6030	0.577	4	111.6030	0.333	4	111.6030	0.333	4	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.1070	0.000	1	111.1070	0.000	1	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.2995	0.521	2	110.3102	0.155	30	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	109.9420	0.655	2	110.3102	0.155	30	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.4898	0.479	4	110.3102	0.155	30	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.3120	0.359	22	110.3102	0.155	30	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.3170	0.000	1	110.2574	0.269	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.7560	0.000	1	110.2574	0.269	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.1160	0.000	1	110.2574	0.269	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.6480	0.000	1	110.2574	0.269	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	109.4500	0.000	1	110.2574	0.269	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.2860	0.000	1	112.3346	0.066	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5905	0.081	2	112.3346	0.066	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1030	0.124	2	112.3346	0.066	5	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H){1|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.1470	0.000	1	111.1470	0.000	1	110.5838	0.598	42	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H){1|S<1>,5|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	111.4693	1.846	120	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5]-4:N[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H){3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H){1|N<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]C[5]N[5])	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5,5]C[3x5]C[5]O[5])	110.4030	0.000	1	110.4030	0.000	1	110.9210	0.537	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5,5]C[3x5]C[5]O[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[3x5]C[5]O[5])	111.4390	0.000	1	111.4390	0.000	1	110.9210	0.537	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H)	H(C[5,5]C[4x5]C[5]O[5])	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H){1|C<3>,4|C<4>}	H(C[5,5]C[4x5]C[5]O[5])	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.1490	0.000	1	112.1490	0.000	1	111.6560	0.486	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.1630	0.000	1	111.1630	0.000	1	111.6560	0.486	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[3]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H){1|C<2>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.9510	0.071	2	112.9510	0.005	2	112.9510	0.005	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[4,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H){4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|H<1>,1|N<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.8340	0.000	1	112.8340	0.000	1	113.0795	0.121	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.3250	0.000	1	113.3250	0.000	1	113.0795	0.121	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.7023	0.140	3	112.7023	0.019	3	112.7023	0.019	3	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	110.1310	0.000	1	110.1310	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.5830	0.000	1	110.5830	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.4810	0.324	2	113.4810	0.105	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H){3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]O[5])	110.4160	0.000	1	110.4160	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9310	0.000	1	111.9310	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|F<1>,1|N<3>,6|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.8090	0.000	1	110.8090	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	109.6730	0.150	2	109.6730	0.022	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.2060	0.000	1	110.2060	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.5260	0.000	1	111.5260	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.8450	0.000	1	111.8450	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2890	0.045	2	112.2890	0.002	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3010	0.000	1	112.3010	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.3150	0.000	2	111.3150	0.000	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.8660	0.000	2	112.8660	0.000	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	110.8200	0.462	2	110.8200	0.214	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.9890	0.000	1	112.2417	0.113	3	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1120	0.000	1	112.2417	0.113	3	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6240	0.000	1	112.2417	0.113	3	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.4920	0.000	1	112.4920	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8452	0.462	4	111.8452	0.213	4	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8980	0.000	1	111.3570	1.892	7	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2668	1.484	6	111.3570	1.892	7	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.5570	0.000	1	111.5441	1.422	9	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	109.9900	0.000	1	111.5441	1.422	9	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	114.1270	0.000	1	111.5441	1.422	9	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.6602	0.463	5	111.5441	1.422	9	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.9220	0.000	1	111.5441	1.422	9	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.8160	0.000	1	110.8160	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.3445	0.083	2	110.3445	0.007	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.2735	1.071	2	111.2735	1.148	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2250	0.000	1	112.2250	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.1815	0.329	2	112.1815	0.108	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.9780	0.106	3	112.9780	0.011	3	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H){1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.1960	0.000	1	113.1960	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	110.0420	0.000	1	110.0420	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.9470	0.000	1	111.9470	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.8330	0.000	1	111.8330	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5810	0.000	1	112.8823	0.134	19	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.8500	0.000	1	112.8823	0.134	19	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.7635	0.304	6	112.8823	0.134	19	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.7763	0.476	4	112.8823	0.134	19	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.0924	0.351	7	112.8823	0.134	19	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.1080	0.000	1	112.1080	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.3180	0.000	1	113.3180	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6635	0.121	2	112.6635	0.015	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.1060	0.000	1	113.2647	0.089	4	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.3177	0.343	3	113.2647	0.089	4	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.2930	0.000	1	113.2965	0.000	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.3000	0.000	1	113.2965	0.000	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	110.8120	0.000	1	110.8120	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.0920	0.000	1	113.0920	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6480	0.279	2	112.6480	0.078	2	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.8640	0.426	2	112.7825	0.395	38	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<5>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6255	0.732	2	112.7825	0.395	38	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.7869	0.647	34	112.7825	0.395	38	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.2550	0.000	1	113.2550	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6953	0.650	13	112.6953	0.422	13	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.8550	0.000	1	112.8550	0.000	1	112.3183	1.038	146	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.5290	0.000	1	113.5290	0.000	1	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.3517	0.441	3	111.3517	0.194	3	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3007	0.959	3	112.3007	0.919	3	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	114.5710	0.000	1	112.3235	1.390	13	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.8770	0.000	1	112.3235	1.390	13	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){3|C<4>,3|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.5470	0.000	1	112.3235	1.390	13	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.1845	0.678	4	112.3235	1.390	13	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.9800	2.469	2	112.3235	1.390	13	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.3780	0.185	4	112.3235	1.390	13	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<2>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4000	0.000	1	112.4000	0.000	1	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.5860	0.000	1	112.5860	0.000	1	112.2580	1.104	22	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:S-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.0380	0.264	2	113.0380	0.070	2	113.0380	0.070	2	112.3179	0.998	186	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	113.4620	0.000	1	112.6257	0.689	3	112.6257	0.689	3	112.2090	1.154	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.2075	0.573	2	112.6257	0.689	3	112.6257	0.689	3	112.2090	1.154	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	112.2090	1.154	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[3]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.4380	0.000	1	112.4380	0.000	1	112.0470	0.366	3	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.3500	0.000	1	111.3500	0.000	1	112.0470	0.366	3	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5]C[5]O[5])	112.3530	0.000	1	112.3530	0.000	1	112.0470	0.366	3	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.6827	0.150	3	112.6827	0.023	3	111.7694	0.553	11	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4269	0.540	8	111.4269	0.292	8	111.7694	0.553	11	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H){1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.7010	0.000	1	112.7010	0.000	1	112.9662	0.425	5	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H){1|O<2>,1|O<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.4315	0.364	2	112.4315	0.133	2	112.9662	0.425	5	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.6335	0.186	2	113.6335	0.035	2	112.9662	0.425	5	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:P-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<3>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.8095	0.911	4	110.8095	0.830	4	110.8095	0.830	4	111.7832	1.291	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H){1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi){1|C<4>,1|N<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.9930	0.228	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH){3|C<4>,3|H<1>,4|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	110.9930	0.228	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-3:N-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NOO)2	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H){2|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NOO)2{1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3307	0.522	12	112.3307	0.273	12	112.3307	0.273	12	112.3307	0.273	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]O[5])	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]O[5])	111.8768	0.162	4	111.8768	0.026	4	111.8768	0.026	4	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	109.6140	0.000	1	109.6140	0.000	1	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4312	0.169	6	111.4312	0.029	6	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.1690	0.000	1	112.1690	0.000	1	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|F<1>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.4080	0.614	2	111.4080	0.377	2	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.1330	0.071	2	111.1330	0.005	2	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	112.0560	0.000	1	112.0560	0.000	1	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.8420	0.000	1	111.8420	0.000	1	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.3730	0.000	1	113.3730	0.000	1	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.4560	0.535	2	112.4560	0.286	2	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6740	0.000	1	112.6740	0.000	1	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6890	0.000	1	112.6890	0.000	1	111.7367	0.701	19	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.4680	0.000	1	113.4680	0.000	1	113.1137	0.725	3	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.1420	0.000	1	112.1420	0.000	1	113.1137	0.725	3	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	113.7310	0.000	1	113.7310	0.000	1	113.1137	0.725	3	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:P-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<4>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	110.8060	0.604	2	110.8060	0.365	2	110.8060	0.365	2	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	113.4110	0.000	1	113.4110	0.000	1	112.2940	2.495	2	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	111.1770	0.000	1	111.1770	0.000	1	112.2940	2.495	2	111.8682	0.849	30	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H){2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi){1|H<1>,1|N<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]N[5])	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]O[5])	110.7920	0.000	1	110.7920	0.000	1	111.5964	0.578	7	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.9420	0.000	1	111.9420	0.000	1	111.5964	0.578	7	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH){1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	111.7770	0.000	1	111.7770	0.000	1	111.5964	0.578	7	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	110.3910	0.000	1	110.3910	0.000	1	111.5964	0.578	7	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.7380	0.000	1	111.7380	0.000	1	111.5964	0.578	7	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.6530	0.000	1	112.6530	0.000	1	111.5964	0.578	7	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	111.8820	0.000	1	111.8820	0.000	1	111.5964	0.578	7	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]O[5])	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	111.4348	1.085	9	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH)	H(C[5,5]C[5,5]C[5]O[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]O[5])	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8980	0.000	1	110.8980	0.000	1	110.6898	0.788	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.0650	0.000	1	111.0650	0.000	1	110.6898	0.788	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.0150	1.212	2	110.4953	1.427	3	110.6898	0.788	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.4560	0.000	1	110.4953	1.427	3	110.6898	0.788	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.3550	0.000	1	110.3550	0.000	1	110.6134	1.481	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.3760	0.000	1	110.3760	0.000	1	110.6134	1.481	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.8030	0.000	1	111.8030	0.000	1	110.6134	1.481	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H){1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.7060	0.000	1	111.7060	0.000	1	110.6134	1.481	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	108.8270	0.000	1	108.8270	0.000	1	110.6134	1.481	5	110.6516	1.010	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7587	0.692	3	110.7587	0.479	3	110.7587	0.479	3	110.7587	0.479	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4275	0.207	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3940	0.276	2	110.3940	0.076	2	110.4793	0.060	3	110.4275	0.207	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.6500	0.000	1	110.6500	0.000	1	110.4793	0.060	3	110.4275	0.207	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9800	0.000	1	110.3170	0.879	2	110.3170	0.879	2	110.4275	0.207	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.6540	0.000	1	110.3170	0.879	2	110.3170	0.879	2	110.4275	0.207	6	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8440	0.000	1	110.8440	0.000	1	110.6225	0.038	8	110.7980	0.168	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5909	0.188	7	110.5909	0.036	7	110.6225	0.038	8	110.7980	0.168	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	110.7980	0.168	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[5,5]C[5,5]C[5]N[5])	111.4420	0.000	1	111.4420	0.000	1	111.4420	0.000	1	110.7980	0.168	10	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	110.9315	0.587	13	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	112.2400	0.000	1	112.2400	0.000	1	112.3745	0.036	2	110.9315	0.587	13	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.5090	0.000	1	112.5090	0.000	1	112.3745	0.036	2	110.9315	0.587	13	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6840	0.000	1	110.5671	0.133	7	110.6082	0.127	8	110.9315	0.587	13	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.5477	0.395	6	110.5671	0.133	7	110.6082	0.127	8	110.9315	0.587	13	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8960	0.000	1	110.8960	0.000	1	110.6082	0.127	8	110.9315	0.587	13	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	N[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.4090	0.102	2	110.4090	0.010	2	110.4090	0.010	2	110.9315	0.587	13	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	110.0078	2.370	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.7080	0.000	1	108.7080	0.000	1	109.5353	2.570	3	110.0078	2.370	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.3830	0.000	1	109.9490	4.113	2	109.5353	2.570	3	110.0078	2.370	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.5150	0.000	1	109.9490	4.113	2	109.5353	2.570	3	110.0078	2.370	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CC)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	110.0078	2.370	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:3:3:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CC)(C[5]C[5]O)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CC)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,5]C[3x5]C[5]2)	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.7805	0.370	2	110.7805	0.137	2	110.7805	0.137	2	110.7695	0.084	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.7695	0.084	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.7938	0.339	6	110.7938	0.115	6	110.7421	0.094	8	110.7695	0.084	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.6760	0.000	1	110.5870	0.016	2	110.7421	0.094	8	110.7695	0.084	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.4980	0.000	1	110.5870	0.016	2	110.7421	0.094	8	110.7695	0.084	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-2:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CH3)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	114.1000	0.000	1	114.1000	0.000	1	112.4630	5.360	2	112.4630	5.360	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:2:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-2:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CHHS)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CHHS)(COO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8260	0.000	1	110.8260	0.000	1	112.4630	5.360	2	112.4630	5.360	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2860	0.000	1	112.2860	0.000	1	112.8645	10.106	4	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8270	0.000	1	110.8270	0.000	1	112.8645	10.106	4	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8250	0.000	1	110.8250	0.000	1	112.8645	10.106	4	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	117.5200	0.000	1	117.5200	0.000	1	112.8645	10.106	4	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.6940	0.000	1	111.6940	0.000	1	110.9035	2.728	10	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.0135	0.531	2	112.0135	0.282	2	110.9035	2.728	10	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.5880	0.249	3	110.5880	0.062	3	110.9035	2.728	10	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6170	0.856	2	110.6170	0.732	2	110.9035	2.728	10	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.0960	0.000	1	107.0960	0.000	1	110.9035	2.728	10	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	113.2200	0.000	1	113.2200	0.000	1	110.9035	2.728	10	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.8020	0.000	1	112.4775	0.211	2	112.0691	0.463	7	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.1530	0.000	1	112.4775	0.211	2	112.0691	0.463	7	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	111.7180	0.000	1	111.7180	0.000	1	112.0691	0.463	7	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3670	0.000	1	111.3670	0.000	1	112.0691	0.463	7	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	111.2360	0.000	1	111.2360	0.000	1	112.0691	0.463	7	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	112.6040	0.591	2	112.6040	0.349	2	112.0691	0.463	7	111.5513	3.159	24	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0340	0.000	1	111.0340	0.000	1	111.0220	0.000	2	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0100	0.000	1	111.0100	0.000	1	111.0220	0.000	2	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5540	0.000	2	110.5540	0.000	2	110.9802	0.197	9	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.3020	0.000	1	111.1020	0.185	7	110.9802	0.197	9	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0600	0.482	2	111.1020	0.185	7	110.9802	0.197	9	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8113	0.064	3	111.1020	0.185	7	110.9802	0.197	9	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.8580	0.000	1	111.1020	0.185	7	110.9802	0.197	9	110.9741	0.146	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H)	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]C[5]N[5])	110.2920	0.000	1	110.2920	0.000	1	110.2920	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7673	0.448	10	110.7673	0.201	10	110.9467	0.340	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H){1|N<3>,1|S<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]O)(H){1|O<2>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.8480	0.000	1	111.8480	0.000	1	110.9467	0.340	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.8390	0.000	1	111.8390	0.000	1	110.9467	0.340	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.2750	0.000	1	112.0053	2.371	3	112.0053	2.371	3	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.5160	0.000	1	112.0053	2.371	3	112.0053	2.371	3	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	113.2250	0.000	1	112.0053	2.371	3	112.0053	2.371	3	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4950	0.000	1	111.4950	0.000	1	112.4580	1.855	2	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,1|S<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	113.4210	0.000	1	113.4210	0.000	1	112.4580	1.855	2	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.4155	1.863	2	110.4155	3.472	2	110.4986	1.133	5	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7925	0.835	2	110.7925	0.697	2	110.4986	1.133	5	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.0770	0.000	1	110.0770	0.000	1	110.4986	1.133	5	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5000	0.000	1	110.7733	0.604	4	110.9530	0.525	6	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3280	0.000	1	110.7733	0.604	4	110.9530	0.525	6	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.8550	0.000	1	110.7733	0.604	4	110.9530	0.525	6	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4100	0.000	1	110.7733	0.604	4	110.9530	0.525	6	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7750	0.000	1	111.7750	0.000	1	110.9530	0.525	6	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8500	0.000	1	110.8500	0.000	1	110.9530	0.525	6	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4580	0.000	1	111.4580	0.000	1	110.6395	1.340	2	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.8210	0.000	1	109.8210	0.000	1	110.6395	1.340	2	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6060	0.704	2	111.6060	0.496	2	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6150	0.000	1	111.6150	0.000	1	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5360	0.000	1	111.5127	0.001	3	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5010	0.031	2	111.5127	0.001	3	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8580	0.000	1	110.8580	0.000	1	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.0190	0.000	1	111.9840	0.002	2	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.9490	0.000	1	111.9840	0.002	2	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.8675	0.497	2	111.8675	0.247	2	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	111.4430	0.000	1	111.4430	0.000	1	111.6141	0.162	12	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2110	0.000	1	111.2110	0.000	1	111.2110	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.9180	0.000	1	111.9180	0.000	1	111.9180	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|H<1>,4|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4210	0.293	2	111.4210	0.086	2	111.4690	0.040	4	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]C[5]2)	111.5170	0.160	2	111.5170	0.026	2	111.4690	0.040	4	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1820	0.143	2	110.1820	0.020	2	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.0240	0.000	1	111.3830	0.258	2	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.7420	0.000	1	111.3830	0.258	2	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2420	0.000	2	111.1964	1.058	8	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3400	0.000	1	111.1964	1.058	8	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4610	0.000	1	111.1964	1.058	8	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.4090	0.000	1	111.1964	1.058	8	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.6090	0.000	1	111.1964	1.058	8	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.2010	0.000	1	111.1964	1.058	8	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0670	0.000	1	111.1964	1.058	8	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.4050	0.434	2	112.4050	0.188	2	111.2508	0.991	14	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.2460	0.000	1	110.2460	0.000	1	110.2460	0.000	1	111.2283	0.746	72	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.4920	0.002	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){1|N<3>,6|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.4920	0.002	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.1420	0.000	1	110.1420	0.000	1	111.3290	1.185	3	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.5650	0.000	1	111.5650	0.000	1	111.3290	1.185	3	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	112.2800	0.000	1	112.2800	0.000	1	111.3290	1.185	3	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.5530	0.000	1	110.5530	0.000	1	110.2999	0.622	8	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.6020	0.000	1	109.6020	0.000	1	110.2999	0.622	8	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6980	0.000	1	110.8420	0.041	2	110.2999	0.622	8	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9860	0.000	1	110.8420	0.041	2	110.2999	0.622	8	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3700	0.000	1	110.3700	0.000	1	110.2999	0.622	8	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7705	0.008	2	110.7705	0.000	2	110.2999	0.622	8	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.6490	0.000	1	108.6490	0.000	1	110.2999	0.622	8	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H){1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	110.7713	0.919	14	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	H(C[5,5]N[5,5]C[5]2)	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6155	0.347	2	110.5008	0.346	6	110.5008	0.346	6	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5730	0.499	2	110.5008	0.346	6	110.5008	0.346	6	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1060	0.000	1	110.5008	0.346	6	110.5008	0.346	6	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5220	0.000	1	110.5008	0.346	6	110.5008	0.346	6	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.3400	0.000	1	109.0370	0.514	7	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7777	0.249	3	109.0370	0.514	7	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.5287	0.162	3	109.0370	0.514	7	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.8050	0.000	1	109.9945	6.556	2	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.1840	0.000	1	109.9945	6.556	2	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7720	0.000	1	111.3873	0.111	3	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1950	0.000	2	111.3873	0.111	3	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.4140	0.000	1	108.4140	0.000	1	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6630	0.048	2	111.6630	0.002	2	109.9433	2.152	15	110.1349	1.603	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[3,5,5]C[5]2)	113.6705	0.176	2	113.6705	0.031	2	113.6705	0.031	2	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2	H(C[5,5]C[3,5,5]C[5]N[5])	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5,5]C[5]N[5])	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	111.2455	0.600	2	111.2455	0.360	2	111.2455	0.360	2	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,5]C[3x5,6]C[5]N[5])	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5,5]C[3x5,6]C[5]N[5])	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)2(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)2(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[3x5]C[5]2)	110.0835	0.544	2	110.0835	0.296	2	109.1580	3.393	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	107.0990	0.000	1	107.0990	0.000	1	109.1580	3.393	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	109.2620	2.703	2	109.2620	7.304	2	109.1580	3.393	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<4>,7|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,5]C[3x5]C[5]2)	111.4460	0.000	1	111.4460	0.000	1	110.5014	5.793	8	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.7150	0.000	1	110.7150	0.000	1	110.5014	5.793	8	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(C[5,5]C[3x5]C[5]2)	110.3083	2.807	6	110.3083	7.878	6	110.5014	5.793	8	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	110.9750	0.000	1	110.9810	0.000	2	111.2223	0.175	3	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	110.9870	0.000	1	110.9810	0.000	2	111.2223	0.175	3	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	111.7050	0.000	1	111.7050	0.000	1	111.2223	0.175	3	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	111.2565	0.210	2	111.2565	0.044	2	110.5367	1.577	3	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	109.0970	0.000	1	109.0970	0.000	1	110.5367	1.577	3	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0215	0.110	2	111.0215	0.012	2	111.5216	4.590	7	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.6560	0.000	1	111.6560	0.000	1	111.5216	4.590	7	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	113.6865	3.299	2	113.6865	10.881	2	111.5216	4.590	7	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7895	0.868	2	109.7895	0.753	2	111.5216	4.590	7	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9910	1.021	2	109.9910	1.043	2	109.9910	1.043	2	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9287	0.246	4	110.9287	0.060	4	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2900	0.000	1	110.2900	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6570	0.000	1	110.6570	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6630	0.000	1	110.6630	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1660	0.000	1	111.1660	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.1680	0.000	1	111.1680	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	112.6270	0.000	1	111.3805	3.108	2	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	H(C[5,5]C[5,5]C[5]2)	110.1340	0.000	1	111.3805	3.108	2	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2{2|H<1>,2|O<2>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.7400	0.000	1	110.7400	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	118.1540	0.000	1	118.1540	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5]C[5]2)	112.3240	0.000	1	112.3240	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	112.2390	0.000	1	112.2390	0.000	1	111.5918	3.834	15	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.0310	0.000	1	110.0310	0.000	1	110.7264	0.837	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|O<1>,2|N<2>}	H(C[5,5]C[5,5]C[5]N[5])	110.6490	0.000	1	110.6490	0.000	1	110.7264	0.837	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|S<1>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.1630	0.000	1	110.1630	0.000	1	110.7264	0.837	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){3|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.4870	0.000	1	110.4870	0.000	1	110.7264	0.837	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.3020	0.000	1	112.3020	0.000	1	110.7264	0.837	5	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2Pd)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2Pd)(C[5]C[5]HH)(C[5]N[5]O)(H){2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.7035	0.187	2	111.7035	0.035	2	111.7035	0.035	2	111.0722	3.610	58	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	111.1460	0.017	2	111.1460	0.000	2	111.1460	0.000	2	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H){2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H){1|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7180	0.000	1	111.7180	0.000	1	111.2225	0.491	2	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5]C[5]2)	110.7270	0.000	1	110.7270	0.000	1	111.2225	0.491	2	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	110.7790	0.000	1	110.7790	0.000	1	112.8167	4.950	4	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,5]C[5,5]C[5]N[5])	112.3350	0.000	1	112.3350	0.000	1	112.8167	4.950	4	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|S<1>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,5]C[5,5]C[5]N[5])	115.9860	0.000	1	115.9860	0.000	1	112.8167	4.950	4	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]N[5])	112.1670	0.000	1	112.1670	0.000	1	112.8167	4.950	4	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.7721	2.212	12	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:2:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C-4:O[5]-2:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H){3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	H(C[5,5]C[3x5]C[5]2)	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[5,5]C[3x5]C[5]2)	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[4,5]N[5,5]C[5])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[4,5]N[5,5]C[5])	110.1470	0.000	1	110.3865	0.115	2	110.3865	0.115	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[4,5]N[5,5]C[5])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[4,5]N[5,5]C[5])	110.6260	0.000	1	110.3865	0.115	2	110.3865	0.115	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	111.1900	0.000	1	111.1900	0.000	1	111.9453	0.756	3	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	111.7500	0.000	1	111.7500	0.000	1	111.9453	0.756	3	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5,5]C[5,5,6]C[5]2)	112.8960	0.000	1	112.8960	0.000	1	111.9453	0.756	3	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,7|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]N[5])	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.3310	0.000	1	109.3310	0.000	1	109.5225	0.073	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.7140	0.000	1	109.7140	0.000	1	109.5225	0.073	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.1530	0.000	1	110.1530	0.000	1	110.3270	0.061	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.5010	0.000	1	110.5010	0.000	1	110.3270	0.061	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6240	0.106	2	110.6240	0.011	2	110.7680	0.050	4	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0800	0.000	1	111.0800	0.000	1	110.7680	0.050	4	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.7440	0.000	1	110.7440	0.000	1	110.7680	0.050	4	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.0050	0.000	1	110.0050	0.000	1	110.4023	0.514	3	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){2|C<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2300	0.000	1	111.2300	0.000	1	110.4023	0.514	3	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|S<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.9720	0.000	1	109.9720	0.000	1	110.4023	0.514	3	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.2340	0.000	1	109.8960	0.228	2	109.8960	0.228	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	109.5580	0.000	1	109.8960	0.228	2	109.8960	0.228	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){2|C<3>,2|N<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3520	0.017	2	110.3520	0.000	2	110.3520	0.000	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.1920	0.000	1	110.9985	0.075	2	110.9985	0.075	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8050	0.000	1	110.9985	0.075	2	110.9985	0.075	2	110.6159	0.826	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.6080	0.000	1	110.6080	0.000	1	111.4670	1.476	2	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.3260	0.000	1	112.3260	0.000	1	111.4670	1.476	2	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,5]C[3x5]C[5]N[5])	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5]C[3x5]C[5]N[5])	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	111.7370	0.000	1	111.7370	0.000	1	110.6015	0.647	4	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6070	0.000	1	110.6070	0.000	1	110.6015	0.647	4	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.0310	0.038	2	110.0310	0.001	2	110.6015	0.647	4	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.9140	0.000	1	110.9140	0.000	1	110.8570	0.006	2	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.8000	0.000	1	110.8000	0.000	1	110.8570	0.006	2	110.6695	0.789	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH)	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.1180	0.000	1	110.1180	0.000	1	110.1180	0.000	1	109.1990	1.689	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	109.1990	1.689	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.1970	0.492	2	110.1970	0.242	2	110.1970	0.242	2	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2290	0.445	4	110.2290	0.198	4	110.2290	0.198	4	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.5310	0.000	1	110.5310	0.000	1	110.4160	0.026	2	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.3010	0.000	1	110.3010	0.000	1	110.4160	0.026	2	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	114.6740	0.000	1	114.6740	0.000	1	110.2442	3.055	9	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.1100	0.000	1	109.5225	0.340	2	110.2442	3.055	9	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.9350	0.000	1	109.5225	0.340	2	110.2442	3.055	9	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3170	0.000	1	110.3170	0.000	1	110.2442	3.055	9	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7240	0.000	1	110.7240	0.000	1	110.2442	3.055	9	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3595	0.153	4	109.3595	0.023	4	110.2442	3.055	9	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3960	0.000	1	110.3960	0.000	1	110.1330	0.055	3	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0530	0.000	1	110.0530	0.000	1	110.1330	0.055	3	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9500	0.000	1	109.9500	0.000	1	110.1330	0.055	3	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	110.2023	1.229	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.8050	0.000	1	108.8050	0.000	1	109.8620	2.234	2	109.8620	2.234	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9190	0.000	1	110.9190	0.000	1	109.8620	2.234	2	109.8620	2.234	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H)	H(C[5,5]C[5,5,6]2C[5])	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[5,5]C[5,5,6]2C[5])	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.1773	1.499	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	109.1773	1.499	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H){4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	109.1773	1.499	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-2:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	H(C[5,5]C[5,5]C[5]2)	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[3x5]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5,6]C[3x5]C[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5,6]C[3x5]C[5])	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]2)	111.1547	0.153	4	111.1693	0.031	6	111.1693	0.031	6	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){4|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2{2|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	111.1985	0.286	2	111.1693	0.031	6	111.1693	0.031	6	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H)	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[5,5]C[4,5,5]C[5]2)	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[4x5]C[5]2)	109.2240	3.629	2	109.2240	13.169	2	109.2240	13.169	2	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3030	0.000	1	112.3030	0.000	1	111.4945	0.518	4	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	111.3950	0.714	2	111.3950	0.510	2	111.4945	0.518	4	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.8850	0.000	1	110.8850	0.000	1	111.4945	0.518	4	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.2640	0.000	1	109.9440	0.349	3	109.9440	0.349	3	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	110.2840	0.069	2	109.9440	0.349	3	109.9440	0.349	3	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5,6]C[5]2)	112.0505	0.793	2	112.0505	0.628	2	111.6587	0.424	4	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	111.1460	0.000	1	111.1460	0.000	1	111.6587	0.424	4	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.3880	0.000	1	111.3880	0.000	1	111.6587	0.424	4	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	108.3765	2.337	2	108.3765	5.462	2	110.3105	5.260	6	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.1710	0.655	2	110.1710	0.429	2	110.3105	5.260	6	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	110.9190	0.000	1	110.9190	0.000	1	110.3105	5.260	6	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	113.8490	0.000	1	113.8490	0.000	1	110.3105	5.260	6	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2650	0.000	1	110.2650	0.000	1	110.8677	0.635	3	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H){1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.7710	0.000	1	111.7710	0.000	1	110.8677	0.635	3	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5670	0.000	1	110.5670	0.000	1	110.8677	0.635	3	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<2>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4560	0.000	1	110.6880	0.349	4	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7653	0.698	3	110.6880	0.349	4	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7560	0.000	1	110.7560	0.000	1	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5360	0.089	2	110.5360	0.008	2	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4270	0.000	1	110.4270	0.000	1	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8700	0.000	1	111.2930	0.358	2	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|Cl<1>,1|C<3>,4|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7160	0.000	1	111.2930	0.358	2	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H){6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6225	0.022	2	111.6225	0.000	2	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1535	0.013	2	111.1535	0.000	2	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.4530	0.000	1	111.4530	0.000	1	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4370	0.164	2	110.4370	0.027	2	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2860	0.000	1	111.2860	0.000	1	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	110.7080	0.000	1	110.7080	0.000	1	110.9193	0.251	19	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H){1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|N<2>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.4320	0.000	1	111.4320	0.000	1	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5230	0.000	2	111.5230	0.000	2	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.5675	0.950	2	111.5675	0.902	2	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9520	0.000	1	111.5491	0.178	31	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2063	0.504	3	111.5491	0.178	31	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2560	0.000	1	111.5491	0.178	31	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){2|C<3>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3940	0.000	1	111.5491	0.178	31	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4720	0.324	25	111.5491	0.178	31	111.5454	0.179	36	111.1490	0.952	86	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H)	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[3,5]C[5,5]C[5])	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.4580	0.000	1	112.4580	0.000	1	112.5134	0.034	7	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.5647	0.235	3	112.5647	0.055	3	112.5134	0.034	7	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.5330	0.000	1	112.5330	0.000	1	112.5134	0.034	7	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.4545	0.269	2	112.4545	0.073	2	112.5134	0.034	7	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.9920	0.055	2	111.7667	0.043	6	110.9458	1.154	10	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.6540	0.139	4	111.7667	0.043	6	110.9458	1.154	10	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.7145	0.146	4	109.7145	0.021	4	110.9458	1.154	10	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:S-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4640	0.938	2	111.4640	0.879	2	111.4640	0.879	2	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.1680	0.000	1	108.1680	0.000	1	108.8237	4.663	3	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.0680	0.000	1	107.0680	0.000	1	108.8237	4.663	3	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2350	0.000	1	111.2350	0.000	1	108.8237	4.663	3	111.2776	2.324	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:2:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H){1|Cl<1>,1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[3x5]C[5,6]C[5])	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H)	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[3x5]C[5,6]C[5])	111.1380	0.181	2	111.1380	0.033	2	111.1380	0.033	2	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	108.8440	0.000	1	108.8440	0.000	1	108.8235	0.001	2	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	108.8030	0.000	1	108.8030	0.000	1	108.8235	0.001	2	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2020	0.000	1	111.2020	0.000	1	110.6027	0.460	3	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.8660	0.000	1	109.8660	0.000	1	110.6027	0.460	3	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7400	0.000	1	110.7400	0.000	1	110.6027	0.460	3	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.5615	0.248	2	110.5615	0.062	2	110.9410	0.463	3	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7000	0.000	1	111.7000	0.000	1	110.9410	0.463	3	110.4758	0.896	11	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	111.9760	0.196	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.9760	0.196	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,6])(CH3)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	113.5720	0.000	1	113.5720	0.000	1	111.6043	1.744	4	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3)	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	110.9483	0.184	3	110.9483	0.034	3	111.6043	1.744	4	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2	H(C[5,5]C[3x5]C[5,6]C[5])	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,5]C[3x5]C[5,6]C[5])	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(CH3)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H)	C[5](C[5,5]C[4,5,5]C[5]H)(S[5]C[4,5])(CH3)2	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(S[5]C[4,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[4,5,5]C[5]2)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.2580	0.000	1	110.2580	0.000	1	109.8596	0.124	5	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	110.1450	0.000	1	110.1450	0.000	1	109.8596	0.124	5	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.5570	0.257	2	109.5570	0.066	2	109.8596	0.124	5	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.7810	0.000	1	109.7810	0.000	1	109.8596	0.124	5	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H){1|Cl<1>,1|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.6310	0.000	1	110.6310	0.000	1	109.7550	2.865	3	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.8040	0.000	1	109.3170	4.578	2	109.7550	2.865	3	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8300	0.000	1	109.3170	4.578	2	109.7550	2.865	3	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	110.4591	2.050	16	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	110.5715	0.600	2	110.5715	0.360	2	110.5715	0.360	2	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2{2|H<1>,5|C<4>}	H(C[5,5]C[3,5,5]C[5]2)	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	110.9280	0.000	1	110.9280	0.000	1	111.1855	0.133	2	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	111.4430	0.000	1	111.4430	0.000	1	111.1855	0.133	2	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{3|H<1>,4|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	109.6250	0.000	1	110.5513	0.865	3	110.5513	0.865	3	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	111.0145	0.665	2	110.5513	0.865	3	110.5513	0.865	3	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	107.1370	0.030	2	107.1370	0.001	2	109.6022	8.327	5	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.0730	0.000	1	112.0730	0.000	1	109.6022	8.327	5	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	113.2840	0.000	1	113.2840	0.000	1	109.6022	8.327	5	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	108.3800	0.000	1	108.3800	0.000	1	109.6022	8.327	5	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[3x5]C[5]2)	111.7800	0.000	1	111.7800	0.000	1	111.3600	0.353	2	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.9400	0.000	1	110.9400	0.000	1	111.3600	0.353	2	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2	H(C[5,5]C[4,3x5]C[5]2)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2{3|H<1>,4|C<4>}	H(C[5,5]C[4,3x5]C[5]2)	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	117.1810	0.000	1	117.1810	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	107.7640	0.000	1	107.7640	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.1020	0.000	1	110.1020	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.6950	0.000	1	109.6950	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.7040	0.000	1	109.7040	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	111.7780	0.000	1	111.7780	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	108.7520	0.000	1	108.7520	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	105.3840	0.000	1	105.3840	0.000	1	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.7325	0.279	2	110.7325	0.078	2	110.1825	9.289	10	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.4350	0.000	1	110.4350	0.000	1	110.6950	0.135	2	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9550	0.000	1	110.9550	0.000	1	110.6950	0.135	2	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:Br-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(Br)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	112.3530	0.000	1	112.3530	0.000	1	112.3530	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	111.0760	0.000	1	111.0760	0.000	1	110.9660	0.581	6	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	111.6855	0.565	2	111.6855	0.319	2	110.9660	0.581	6	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	110.8000	0.052	2	110.8000	0.003	2	110.9660	0.581	6	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]2C[5])	109.7490	0.000	1	109.7490	0.000	1	110.9660	0.581	6	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3450	0.000	1	111.3450	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.5708	0.293	4	110.5708	0.086	4	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3340	0.000	1	110.3340	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9020	0.000	1	110.9020	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.8890	0.000	1	109.8890	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4040	0.000	1	110.4040	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9340	0.000	1	110.9340	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3110	0.000	1	110.3110	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1060	0.000	1	110.1060	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4280	0.020	2	110.4280	0.000	2	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	114.7300	0.000	1	114.7300	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.8670	0.000	1	110.8670	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2300	0.000	1	110.2300	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5705	0.251	2	109.5705	0.063	2	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.8057	1.237	3	112.8057	1.531	3	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.1180	0.000	1	111.1180	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4745	1.406	2	110.4745	1.978	2	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1410	0.190	5	111.1330	0.032	7	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1130	0.212	2	111.1330	0.032	7	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1040	0.000	1	111.1040	0.000	1	110.9652	1.232	33	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.4580	0.000	1	110.2470	1.245	2	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	111.0360	0.000	1	110.2470	1.245	2	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5950	0.000	1	110.5865	0.000	2	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5780	0.000	1	110.5865	0.000	2	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9730	0.000	1	110.7875	1.327	2	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6020	0.000	1	110.7875	1.327	2	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|N<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9367	0.303	6	110.9367	0.092	6	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.5490	0.000	1	109.7447	0.642	4	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1365	0.134	2	109.7447	0.642	4	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1570	0.000	1	109.7447	0.642	4	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2748	0.375	5	111.1699	0.211	8	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6660	0.344	2	111.1699	0.211	8	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6530	0.000	1	111.1699	0.211	8	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5710	0.000	1	110.5710	0.000	1	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.6630	0.000	1	112.6630	0.000	1	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H){2|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2960	0.000	1	110.2960	0.000	1	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.6515	0.936	2	113.6515	0.875	2	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7730	0.000	1	110.7730	0.000	1	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3040	0.366	6	111.3324	0.117	7	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5030	0.000	1	111.3324	0.117	7	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1400	0.000	1	111.1400	0.000	1	111.0335	0.931	38	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{2|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	116.7765	3.082	2	115.2020	12.187	3	113.9903	13.998	4	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{2|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	112.0530	0.000	1	115.2020	12.187	3	113.9903	13.998	4	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|N<3>,6|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2{2|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	110.3550	0.000	1	110.3550	0.000	1	113.9903	13.998	4	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:P[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|P<3>,1|S<1>,1|S<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]P[5])	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.9340	0.000	1	111.2345	0.181	2	111.2100	0.092	3	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5350	0.000	1	111.2345	0.181	2	111.2100	0.092	3	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1610	0.000	1	111.1610	0.000	1	111.2100	0.092	3	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	110.9344	2.710	118	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H){2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.9815	0.087	2	110.9815	0.008	2	110.9815	0.008	2	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.5540	1.451	2	110.5540	2.105	2	110.5540	2.105	2	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6375	1.005	2	111.6375	1.010	2	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7080	0.000	1	111.7080	0.000	1	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2147	0.451	3	111.5576	0.172	31	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9970	0.000	1	111.5576	0.172	31	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2450	0.000	1	111.5576	0.172	31	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){2|C<3>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3580	0.000	1	111.5576	0.172	31	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4958	0.320	23	111.5576	0.172	31	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3195	0.435	2	111.5576	0.172	31	111.5667	0.188	34	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|O<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8300	0.000	1	110.8455	0.000	2	111.1685	0.139	4	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|O<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8610	0.000	1	110.8455	0.000	2	111.1685	0.139	4	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5070	0.000	1	111.4915	0.000	2	111.1685	0.139	4	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4760	0.000	1	111.4915	0.000	2	111.1685	0.139	4	111.2168	0.990	48	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[6]-3:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[3,5]C[5,5]C[5])	112.1480	0.000	2	112.1480	0.000	2	112.1480	0.000	2	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,4|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.8765	0.466	2	108.8765	0.217	2	108.8765	0.217	2	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]H)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|I<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4630	0.000	1	110.4630	0.000	1	110.0397	0.390	4	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5105	0.162	2	109.5105	0.026	2	110.0397	0.390	4	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6750	0.000	1	110.6750	0.000	1	110.0397	0.390	4	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|O<1>,4|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9460	0.000	1	111.2265	0.157	2	111.2265	0.157	2	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5070	0.000	1	111.2265	0.157	2	111.2265	0.157	2	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9850	0.000	1	109.9850	0.000	1	111.0370	0.830	3	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5630	0.000	2	111.5630	0.000	2	111.0370	0.830	3	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H){1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.7118	1.179	18	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	112.4726	7.176	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){1|C<2>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	112.4726	7.176	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	112.4726	7.176	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|B<4>,1|N<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9150	0.000	1	108.9150	0.000	1	110.0475	2.565	2	112.4726	7.176	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|N<4>,1|O<2>,2|C<4>,4|C<3>,7|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.1800	0.000	1	111.1800	0.000	1	110.0475	2.565	2	112.4726	7.176	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H){3|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	111.5900	0.185	2	111.5900	0.034	2	111.2933	0.281	3	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	110.7000	0.000	1	110.7000	0.000	1	111.2933	0.281	3	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	107.9050	0.000	1	107.9050	0.000	1	107.8160	0.007	3	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	107.7715	0.043	2	107.7715	0.002	2	107.8160	0.007	3	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H)	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H){3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	111.2400	0.000	1	110.6820	0.623	2	110.6820	0.623	2	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	110.1240	0.000	1	110.6820	0.623	2	110.6820	0.623	2	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H){3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0605	0.325	2	110.0605	0.105	2	111.0867	1.529	8	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H){1|Cl<1>,1|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H){1|Cl<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.6370	0.000	1	110.6370	0.000	1	111.0867	1.529	8	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H){2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3580	0.563	2	110.3580	0.317	2	111.0867	1.529	8	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5630	0.000	1	111.5630	0.000	1	111.0867	1.529	8	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	113.3820	0.000	1	113.3820	0.000	1	111.0867	1.529	8	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	112.2750	0.000	1	112.2750	0.000	1	111.0867	1.529	8	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.7960	0.000	1	109.7960	0.000	1	110.0420	0.121	2	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2880	0.000	1	110.2880	0.000	1	110.0420	0.121	2	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.8345	0.073	2	109.8345	0.005	2	109.8345	0.005	2	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5655	0.125	2	110.5655	0.016	2	110.8370	0.104	4	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0720	0.000	1	111.0720	0.000	1	110.8370	0.104	4	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1450	0.000	1	111.1450	0.000	1	110.8370	0.104	4	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	110.5127	1.802	28	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]C)(CH3)(CCO)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]C)(CH3)(CCO){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]2C[5])	111.0330	0.000	1	111.0580	0.001	2	111.0580	0.001	2	111.0580	0.001	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	111.0830	0.000	1	111.0580	0.001	2	111.0580	0.001	2	111.0580	0.001	2	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2	H(C[5,5]C[3,5,5]C[5,6]C[5])	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5,5]C[5,6]C[5])	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[3,5,5]C[5]2)	111.6110	0.160	2	111.6110	0.026	2	111.3410	0.220	4	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,5]C[3,5,5]C[5]2)	110.6570	0.000	1	110.6570	0.000	1	111.3410	0.220	4	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	111.4850	0.000	1	111.4850	0.000	1	111.3410	0.220	4	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	110.9530	0.150	4	110.9530	0.023	4	110.2625	0.745	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	108.8505	0.046	2	108.8505	0.002	2	110.2625	0.745	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	110.5370	0.000	1	110.5370	0.000	1	110.2625	0.745	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	109.5390	0.000	1	110.1917	0.323	3	110.2625	0.745	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	110.5180	0.088	2	110.1917	0.323	3	110.2625	0.745	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]2)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]2)(H)2{1|H<1>,1|O<2>,7|C<4>}	H(C[5,5]C[3x5]C[5]2)	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[3x5]C[5]2)	111.3180	0.174	2	111.3180	0.030	2	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.6015	0.294	4	110.6015	0.086	4	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.4325	0.274	2	110.4325	0.075	2	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]2)	110.7450	0.457	2	110.7450	0.209	2	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.0725	0.057	2	109.6088	8.095	4	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	107.1450	0.048	2	109.6088	8.095	4	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5,5]C[3x5]C[5]2)	112.0585	0.063	2	112.0585	0.004	2	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.0380	0.020	2	112.0380	0.000	2	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.2120	0.477	2	110.2120	0.227	2	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.1857	0.142	4	111.1857	0.020	4	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){4|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[3x5]C[5]2)	111.2425	0.323	2	111.2425	0.104	2	110.8337	1.591	26	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2	H(C[5,5]C[4,3x5]C[5]2)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,5]C[4,3x5]C[5]2)	112.7360	0.000	1	112.7360	0.000	1	109.4617	8.084	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[4,3x5]C[5]2)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[4,3x5]C[5]2)	107.6170	0.000	1	107.8245	0.086	2	109.4617	8.084	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[4,3x5]C[5]2)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[4,3x5]C[5]2)	108.0320	0.000	1	107.8245	0.086	2	109.4617	8.084	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5]2)	111.1015	0.330	4	111.1015	0.109	4	110.9851	0.177	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,5]C[4,5,5]C[5]2)	111.0690	0.349	4	111.0690	0.122	4	110.9851	0.177	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[4,5,5]C[5]2)	110.1840	0.000	1	110.1840	0.000	1	110.9851	0.177	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[4x5]C[5]2)	109.2370	0.000	1	109.2370	0.000	1	109.1793	10.188	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[4x5]C[5]2)	109.1505	4.513	2	109.1505	20.371	2	109.1793	10.188	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,5]C[4x5]C[5]2)	109.0780	0.000	1	109.0780	0.000	1	110.2389	5.831	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[4x5]C[5]2)	108.7640	0.000	1	108.3460	0.349	2	110.2389	5.831	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,5]C[4x5]C[5]2)	107.9280	0.000	1	108.3460	0.349	2	110.2389	5.831	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H){1|B<4>,4|C<4>,6|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[5,5]C[4x5]C[5]2)	110.7013	2.721	4	110.7013	7.404	4	110.2389	5.831	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5,5]C[4x5]C[5]2)	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H){1|B<4>,4|C<4>,6|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,4|C<4>}	H(C[5,5]C[4x5]C[5]2)	111.7875	3.150	2	111.7875	9.924	2	110.2389	5.831	9	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>,7|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.0535	0.035	2	110.1215	0.007	4	110.5556	0.393	13	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){3|C<3>,5|H<1>,6|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.1895	0.012	2	110.1215	0.007	4	110.5556	0.393	13	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.9490	0.000	1	110.9490	0.000	1	110.5556	0.393	13	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.7370	0.000	1	110.7235	0.509	8	110.5556	0.393	13	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.4903	0.363	4	110.7235	0.509	8	110.5556	0.393	13	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	110.3680	0.199	2	110.7235	0.509	8	110.5556	0.393	13	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5,5]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,5]C[5])	112.3540	0.000	1	110.7235	0.509	8	110.5556	0.393	13	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.8600	0.000	1	109.8600	0.000	1	109.1900	0.898	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	108.5200	0.000	1	108.5200	0.000	1	109.1900	0.898	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.9900	0.000	1	111.7260	0.046	5	111.7260	0.046	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.6600	0.178	4	111.7260	0.046	5	111.7260	0.046	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.4280	0.000	1	110.4280	0.000	1	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	H(C[5,5]C[5,5,6]C[5]2)	111.4600	0.000	1	111.4600	0.000	1	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1320	0.000	1	111.1320	0.000	1	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.6355	0.156	2	110.6355	0.024	2	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8970	0.000	1	110.8970	0.000	1	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.7570	0.000	1	108.7980	7.675	2	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	106.8390	0.000	1	108.7980	7.675	2	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8330	0.000	1	110.8330	0.000	1	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.3820	0.000	1	111.3820	0.000	1	110.4999	1.767	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.8200	0.000	1	110.8200	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.2990	0.000	1	110.2990	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.0270	0.000	1	111.0270	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	106.2980	0.000	1	106.9981	11.068	9	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	108.8970	0.000	1	106.9981	11.068	9	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	99.1479	0.000	1	106.9981	11.068	9	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.3800	1.080	2	106.9981	11.068	9	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	107.4700	1.772	4	106.9981	11.068	9	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	111.4840	0.000	1	111.4840	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.5525	0.241	2	109.5525	0.058	2	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.4900	0.143	4	110.1875	0.233	6	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.5380	0.000	1	110.1875	0.233	6	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	109.6270	0.000	1	110.1875	0.233	6	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.4912	0.175	4	110.4912	0.031	4	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.6410	0.000	1	109.6410	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.2440	0.008	4	109.2440	0.000	4	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9635	0.169	2	110.9635	0.029	2	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	111.3020	0.000	2	110.8862	0.228	5	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.8450	0.000	2	110.8862	0.228	5	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.1370	0.000	1	110.8862	0.228	5	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.6530	0.137	2	110.6530	0.019	2	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	107.9360	0.000	1	107.9360	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.9920	0.000	1	110.9920	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.1040	0.000	1	110.1040	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1160	0.000	1	111.1160	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	108.9980	1.233	5	108.9980	1.519	5	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	104.6050	0.000	1	104.6050	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.7680	0.328	2	110.7680	0.108	2	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.7240	0.000	1	110.7240	0.000	1	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.7480	0.000	1	109.4880	5.207	3	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	106.8540	0.000	1	109.4880	5.207	3	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8620	0.000	1	109.4880	5.207	3	109.5192	4.325	55	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<3>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.1420	0.000	1	111.1420	0.000	1	111.1420	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H)	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]2C[5])	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{5|C<4>,5|H<1>}	H(C[5,5]C[5,5]2C[5])	109.3470	0.110	2	109.3470	0.012	2	109.8678	0.741	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]2H)2(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]2H)2(H)2{4|H<1>,6|C<4>}	H(C[5,5]C[5,5]2C[5])	109.1560	0.000	1	110.1640	2.032	2	109.8678	0.741	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]2H)2(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){4|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]2H)2(H)2{4|H<1>,6|C<4>}	H(C[5,5]C[5,5]2C[5])	111.1720	0.000	1	110.1640	2.032	2	109.8678	0.741	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]2C[5])	110.3170	0.000	1	110.3170	0.000	1	109.8678	0.741	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]2C[5])	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	111.0943	0.124	3	111.0943	0.015	3	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	110.4680	0.270	2	110.4680	0.073	2	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	107.7800	0.000	1	107.7800	0.000	1	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	109.7687	0.147	6	109.7687	0.022	6	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]2C[5])	109.9090	0.000	1	109.9090	0.000	1	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	112.9550	0.000	1	112.9550	0.000	1	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]2C[5])	110.7375	0.555	2	110.7375	0.308	2	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]2C[5])	111.7900	0.000	1	111.7900	0.000	1	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5]2C[5])	110.1890	0.313	2	110.1890	0.098	2	110.3746	1.130	19	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H){1|C<3>,3|O<2>,7|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2{4|H<1>,5|C<4>}	H(C[5,5]C[5,5]2C[5])	107.9220	0.506	2	107.9220	0.256	2	107.9220	0.256	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5,6]C[5])	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{5|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.8920	0.021	2	109.8920	0.000	2	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.9115	0.490	2	109.9115	0.240	2	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3790	0.000	1	110.3790	0.000	1	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8530	1.021	2	110.8530	1.043	2	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3130	0.000	1	110.5505	0.782	4	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.4010	0.000	1	110.5505	0.782	4	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2440	0.083	2	110.5505	0.782	4	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3560	0.000	1	109.3560	0.000	1	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4610	0.864	2	111.4610	0.747	2	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1670	0.000	1	111.1670	0.000	1	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5220	0.003	2	110.5220	0.000	2	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3068	0.385	6	111.3326	0.128	7	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4870	0.000	1	111.3326	0.128	7	110.7380	0.606	24	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{4|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3290	1.789	2	110.3290	3.200	2	110.3001	7.189	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2570	0.000	1	110.2570	0.000	1	110.3001	7.189	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.8465	1.207	2	108.7000	4.672	3	110.3001	7.189	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){3|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.4070	0.000	1	108.7000	4.672	3	110.3001	7.189	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<2>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{4|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	115.0860	0.000	1	115.0860	0.000	1	110.3001	7.189	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.1060	0.000	1	109.1060	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9005	0.073	2	109.9005	0.005	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.4450	0.000	1	110.4450	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2655	0.015	2	111.2655	0.000	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4470	0.000	1	110.4470	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|F<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.2560	0.000	1	109.2560	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.7740	0.000	1	111.7740	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.4780	0.140	2	110.4780	0.020	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6170	0.000	1	110.6170	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	110.4800	0.000	1	110.4800	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.6890	0.000	1	107.6890	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5708	0.263	4	110.5708	0.069	4	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2940	0.000	1	110.2940	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	108.8565	0.084	2	108.8565	0.007	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.9140	0.000	1	107.9140	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.5850	0.000	1	110.5850	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5720	0.000	1	110.5720	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.4040	0.000	1	110.3433	0.699	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0050	0.000	1	110.3433	0.699	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6210	0.000	1	110.3433	0.699	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4130	0.000	1	110.8753	0.160	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1065	0.019	2	110.8753	0.160	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0730	0.000	1	110.0730	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<2>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	96.3631	0.000	1	96.3631	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	106.5390	0.216	2	106.5390	0.047	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<4>,1|O<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	108.7395	0.559	2	107.8930	1.128	4	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.0465	0.453	2	107.8930	1.128	4	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2960	0.296	2	110.2960	0.087	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.8050	0.000	1	109.8050	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2470	0.000	1	110.1833	0.047	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1515	0.298	2	110.1833	0.047	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|N<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8973	0.303	6	110.8973	0.092	6	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.7340	0.000	1	109.3010	4.911	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.8680	0.000	1	109.3010	4.911	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.8230	0.000	1	109.8230	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|Cl<1>,1|C<3>,4|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2{1|C<4>,3|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5]2)	111.8100	0.000	1	111.8100	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8890	0.000	1	110.8890	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.6894	0.096	7	109.6894	0.009	7	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|N<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3925	0.651	4	110.3925	0.424	4	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5776	0.498	12	108.7420	4.341	24	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.9065	2.703	12	108.7420	4.341	24	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]Rh)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]Rh)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	113.8392	0.261	10	113.8392	0.068	10	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.0340	0.000	1	110.0340	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9710	0.000	1	109.9710	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6940	0.000	1	111.6940	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H){1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4040	0.000	1	110.4040	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H){8|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7530	0.000	1	110.7530	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H){8|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7560	0.000	1	110.7560	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4590	0.000	1	110.3190	0.039	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.1790	0.000	1	110.3190	0.039	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|N<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5420	0.000	1	110.5420	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3130	0.374	5	111.1899	0.213	8	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6785	0.409	2	111.1899	0.213	8	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5970	0.000	1	111.1899	0.213	8	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4560	0.153	2	110.4560	0.023	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5995	0.487	2	110.2842	1.010	5	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|Ni<5>,1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4860	1.360	2	110.2842	1.010	5	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2500	0.000	1	110.2842	1.010	5	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.5780	0.392	2	110.2968	1.021	5	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|Ni<5>,1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5380	1.368	2	110.2968	1.021	5	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2520	0.000	1	110.2968	1.021	5	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	111.3070	0.000	1	111.3070	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.9850	0.000	1	110.9850	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	108.6590	0.000	1	108.6590	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|N<3>,2|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]2)	109.0060	0.000	1	109.0060	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6970	0.000	1	110.6970	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[5,5]C[5,5]C[5]2)	110.3837	0.382	3	110.3837	0.146	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.3130	0.000	1	111.3130	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5,5]C[5,5]C[5]2)	111.2580	0.000	1	111.2580	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2067	0.397	4	110.2067	0.158	4	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5600	0.000	1	110.5600	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.2990	0.000	1	112.2990	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,2|O<2>,4|C<3>}	H(C[5,5]C[5,5]C[5]2)	112.1830	0.000	1	112.1830	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.4105	0.062	2	110.4105	0.004	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.3115	1.184	2	109.7780	1.354	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.7110	0.000	1	109.7780	1.354	3	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9990	0.000	1	109.9990	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6850	0.000	1	110.6850	0.000	1	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.6590	1.335	2	109.6590	1.782	2	110.1341	3.989	155	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H){6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2{3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3388	0.188	4	109.3388	0.035	4	109.1823	0.116	6	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2{3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.8695	0.426	2	108.8695	0.182	2	109.1823	0.116	6	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9900	0.000	1	109.9900	0.000	1	110.6293	0.306	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<2>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.3730	0.000	1	110.6573	0.345	4	110.6293	0.306	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.7520	0.681	3	110.6573	0.345	4	110.6293	0.306	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5400	0.000	1	110.5400	0.000	1	110.6293	0.306	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.2460	0.000	1	111.2460	0.000	1	110.6293	0.306	7	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H){1|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	109.7385	0.245	2	109.7385	0.060	2	109.7385	0.060	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	111.4230	0.000	1	111.4230	0.000	1	111.4230	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	109.9590	0.000	1	109.9590	0.000	1	109.1475	1.317	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	H(C[5,5]C[5,5]N[5,5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]N[5,5]C[5])	108.3360	0.000	1	108.3360	0.000	1	109.1475	1.317	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:N[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]N[5])	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]N[5])	109.8805	0.763	2	109.8805	0.582	2	109.8805	0.582	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.5665	0.093	2	110.5665	0.009	2	112.6132	2.916	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]IrH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]IrH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	113.6785	0.682	4	113.6785	0.465	4	112.6132	2.916	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]PdH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]PdH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5]C[5]2)	113.4497	1.154	3	113.4497	1.331	3	112.6132	2.916	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.9360	0.000	1	109.9360	0.000	1	112.6132	2.916	10	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.5160	0.000	1	110.5160	0.000	1	112.0870	6.862	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	110.6340	0.000	1	110.6340	0.000	1	112.0870	6.862	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){1|C<2>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	115.1110	0.000	1	115.1110	0.000	1	112.0870	6.862	3	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	H(C[5,5]N[3x5]C[5]2)	110.2600	0.498	2	110.2820	0.156	4	110.3630	0.421	8	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.3040	0.467	2	110.2820	0.156	4	110.3630	0.421	8	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	H(C[5,5]N[3x5]C[5]2)	110.4525	1.121	2	110.4440	0.808	4	110.3630	0.421	8	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5,5]N[3x5]C[5]2)	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	H(C[5,5]N[3x5]C[5]2)	110.4355	1.081	2	110.4440	0.808	4	110.3630	0.421	8	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5,6]C[5,5]C[5])	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5,6]C[5,5]C[5])	107.8270	1.355	2	107.8270	1.836	2	107.8270	1.836	2	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H){1|N<2>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|B<4>,2|C<3>,2|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9150	0.000	1	108.9150	0.000	1	109.5076	0.870	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	111.1580	0.000	1	111.1580	0.000	1	109.5076	0.870	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.0920	0.089	2	109.0920	0.008	2	109.5076	0.870	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,5]N[5,5]C[5]2)	109.2810	0.000	1	109.2810	0.000	1	109.5076	0.870	5	110.2563	3.182	422	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	113.8510	0.000	1	113.8510	0.000	1	113.4270	0.360	2	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	113.0030	0.000	1	113.0030	0.000	1	113.4270	0.360	2	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H)	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5]2)	110.5450	0.000	1	110.5450	0.000	1	110.5450	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[3x5]C[5]2)	112.9540	0.000	1	112.9540	0.000	1	112.9540	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]C[4,5]C[5,5]C[5])	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[4,5]C[5,5]C[5])	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H)	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5,6]2C[5])	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,4|C<4>}	H(C[5,5]C[5,5,6]2C[5])	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H){1|O<1>,4|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H){2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.2885	0.056	2	109.2885	0.003	2	109.2885	0.003	2	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H){1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	H(C[5,5]C[5,5]C[5]2)	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){3|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.4020	0.000	1	106.4020	0.000	1	106.4020	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3630	0.000	1	109.3630	0.000	1	109.3438	2.910	8	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.6920	0.000	1	110.6920	0.000	1	109.3438	2.910	8	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3535	0.279	2	110.3535	0.078	2	109.3438	2.910	8	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.0110	0.000	1	107.0110	0.000	1	109.3438	2.910	8	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.3320	0.000	1	106.3320	0.000	1	109.3438	2.910	8	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3225	0.059	2	110.3225	0.003	2	109.3438	2.910	8	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.5905	0.326	2	110.5905	0.106	2	110.5905	0.106	2	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1310	0.000	1	109.1310	0.000	1	109.0370	0.018	2	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]N[5,5]C[5]2)	108.9430	0.000	1	108.9430	0.000	1	109.0370	0.018	2	109.9241	3.778	26	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H){1|Cl<1>,1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2{1|C<4>,3|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[5,5]C[3x5]C[5]2)	110.3760	0.000	1	110.3760	0.000	1	110.9873	0.303	3	110.1968	3.207	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[5,5]C[3x5]C[5]2)	111.2930	0.212	2	111.2930	0.045	2	110.9873	0.303	3	110.1968	3.207	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C-4:O[5]-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH){2|C<4>,2|H<1>,3|O<2>}	H(C[5,5]C[5,5]C[5]2)	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	110.1968	3.207	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3){1|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	110.1968	3.207	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,5]C[3,5]C[5,5]C[5])	112.1850	0.000	2	112.1850	0.000	2	112.1850	0.000	2	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	H(C[5,5]C[3x5]C[5]2)	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.6060	0.000	1	107.6060	0.000	1	108.9161	2.456	8	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.8850	0.000	1	109.8850	0.000	1	108.9161	2.456	8	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	107.9185	0.609	4	107.9185	0.371	4	108.9161	2.456	8	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.0820	0.249	2	111.0820	0.062	2	108.9161	2.456	8	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	H(C[5,5]C[5,5]C[5]2)	111.2950	0.000	1	111.2950	0.000	1	110.1273	1.180	3	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.1470	0.000	1	109.5435	0.314	2	110.1273	1.180	3	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5]2)	109.9400	0.000	1	109.5435	0.314	2	110.1273	1.180	3	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H){2|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4890	0.075	4	111.4890	0.006	4	111.4890	0.006	4	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|N<2>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.1140	0.086	2	109.1140	0.007	2	109.1140	0.007	2	110.1342	2.274	25	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.2260	0.000	1	110.2260	0.000	1	109.3407	0.608	3	109.3407	0.608	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.7550	0.000	1	108.7550	0.000	1	109.3407	0.608	3	109.3407	0.608	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|N<3>,2|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.0410	0.000	1	109.0410	0.000	1	109.3407	0.608	3	109.3407	0.608	3	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(COO)2	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5]2)	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	109.2800	8.347	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(COO)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(COO)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	105.0130	0.000	1	105.0130	0.000	1	105.0130	0.000	1	109.2800	8.347	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	109.2800	8.347	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){3|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	109.2800	8.347	4	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,5]C[5,5,6]C[5,6]C[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5,6]C[5])	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8130	0.000	1	110.8130	0.000	1	110.8308	0.201	6	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	111.2560	0.000	2	110.8344	0.252	5	110.8308	0.201	6	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.8160	0.000	2	110.8344	0.252	5	110.8308	0.201	6	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	110.0280	0.000	1	110.8344	0.252	5	110.8308	0.201	6	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.3855	0.094	4	109.3855	0.009	4	109.3855	0.009	4	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H){2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.2615	0.066	2	109.2615	0.004	2	109.2615	0.004	2	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	103.9750	0.000	1	103.9750	0.000	1	105.6755	5.783	2	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	107.3760	0.000	1	107.3760	0.000	1	105.6755	5.783	2	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]2C[5])	110.2220	0.014	2	110.2220	0.000	2	110.2220	0.000	2	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	110.6220	0.000	1	110.6220	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.2240	0.000	1	109.2240	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.5250	0.000	1	106.5250	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4200	0.000	1	110.2625	0.050	2	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.1050	0.000	1	110.2625	0.050	2	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.0730	0.000	1	109.0730	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.8470	0.000	1	110.8470	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	109.3890	0.000	1	109.3890	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.2830	0.000	1	108.2830	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1230	0.000	1	111.1230	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1330	0.200	5	111.1330	0.040	5	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	111.1270	0.000	1	111.1270	0.000	1	110.1502	1.793	16	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.9315	3.327	2	110.9315	11.069	2	110.9315	11.069	2	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,5]C[5,5]C[5]S[5])	109.2520	0.000	1	109.4480	0.077	2	109.4480	0.077	2	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5]C[5]S[5])	109.6440	0.000	1	109.4480	0.077	2	109.4480	0.077	2	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.1753	0.112	3	109.1248	0.019	4	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){4|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.9730	0.000	1	109.1248	0.019	4	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|H<1>,1|O<1>,6|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.0995	0.460	2	109.0715	0.082	26	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.2990	0.000	1	109.0715	0.082	26	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.4590	0.000	1	109.0715	0.082	26	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.7610	0.000	1	109.0715	0.082	26	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){3|H<1>,6|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.0543	0.277	21	109.0715	0.082	26	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.0540	0.000	1	109.0540	0.000	1	109.0778	0.071	31	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	108.5550	0.000	1	108.5550	0.000	1	109.0347	0.174	3	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|C<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.3120	0.000	1	109.3120	0.000	1	109.0347	0.174	3	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H)	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.2370	0.000	1	109.2370	0.000	1	109.0347	0.174	3	109.4968	1.507	71	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH){3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	107.0130	0.665	2	107.0130	0.442	2	108.3738	2.926	4	108.6328	2.530	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	110.4160	0.000	1	110.4160	0.000	1	108.3738	2.926	4	108.6328	2.530	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH){1|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5]2)	109.0530	0.000	1	109.0530	0.000	1	108.3738	2.926	4	108.6328	2.530	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,5|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	108.6328	2.530	5	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CH3)(COO)	H(C[5,5]C[5,5]2C[5])	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){3|C<4>,8|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CH3)(COO){3|H<1>,4|C<4>}	H(C[5,5]C[5,5]2C[5])	110.3218	0.148	4	110.3218	0.022	4	110.3218	0.022	4	109.7000	0.713	7	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-3:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH)	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<4>,1|O<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH){2|C<4>,5|H<1>}	H(C[5,5]C[5,5]C[5]2)	108.7060	0.666	2	108.7060	0.444	2	108.7060	0.444	2	109.7000	0.713	7	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,5]-4:	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(CCO)	H(C[5,5]N[5,5]C[5]2)	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(CCO){3|C<4>,4|H<1>}	H(C[5,5]N[5,5]C[5]2)	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.7000	0.713	7	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	H(C[5,5]C[3x5,6]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2{2|H<1>,5|C<4>}	H(C[5,5]C[3x5,6]C[5]2)	108.9100	0.099	2	108.9100	0.010	2	108.9100	0.010	2	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,5]C[3x5]C[5]2)	107.9180	0.000	1	107.9180	0.000	1	108.2060	0.306	5	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	108.8390	0.000	1	108.8390	0.000	1	108.2060	0.306	5	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3x5]C[5]2)	107.7495	0.039	2	107.7495	0.002	2	108.2060	0.306	5	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5,5]C[3x5]C[5]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[3x5]C[5]2)	108.7740	0.000	1	108.7740	0.000	1	108.2060	0.306	5	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	107.7620	0.000	1	107.7620	0.000	1	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.5260	0.000	1	108.6382	24.644	8	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	109.0290	0.000	1	108.6382	24.644	8	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	98.4970	0.000	1	108.6382	24.644	8	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	116.7570	0.000	1	108.6382	24.644	8	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	109.4395	0.981	2	108.6382	24.644	8	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	107.8980	0.000	1	108.6382	24.644	8	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|P<4>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	108.5200	0.000	1	108.6382	24.644	8	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5]2)	108.0600	0.000	1	108.0600	0.000	1	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]Cl)(CCHH)(CH3)	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]Cl)(CCHH)(CH3){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5]2)	108.7670	0.000	1	108.7670	0.000	1	108.5177	17.347	11	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	H(C[5,5]C[5,5,6]C[5]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]C[5]2)	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)2	H(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5]C[5]2)	106.4960	0.351	2	106.4960	0.123	2	106.4960	0.123	2	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)2	H(C[5,5]C[5,5]C[5,6]C[5])	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,8|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)2{3|H<1>,4|C<4>}	H(C[5,5]C[5,5]C[5,6]C[5])	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	108.4547	9.080	22	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5]	C[5]	H	5:4:3:1:	4:4:1:1:	4:	C[5,5,6]-5:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2	H(C[5,5]C[5,5,6]C[5]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2{1|Ru<11>,2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]C[5]N[5])	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	110.7171	2.894	2858	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,5x6]	C[5,5,4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4,5,4x6]-4:C[5,5,4x6]-4:C[6,6]-4:H-1:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C[5,5x6]-4:	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H)	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	H(C[5,5x6]C[4,5,4x6]C[5,5,4x6]C[6,6])	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,5x6]C[4,5,4x6]C[5,5,4x6]C[6,6])	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,5,6,6]C[3x5,6]C[5,6]C)(H)2	C[3x5,3x6](C[4x5,6,6]C[3x5,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]HH)(C[5,6,6]C[5,6]C[6]H)(C[5]O[5]O)	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,5,6,6]C[3x5,6]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,3x6](C[4x5,6,6]C[3x5,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]HH)(C[5,6,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	111.7980	0.006	2	111.7980	0.000	2	111.7980	0.000	2	111.7980	0.000	2	111.2750	0.821	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H)	C[3x5,3x6](C[4x5,6,6]C[3x5,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]HH)(C[5,6,6]C[5,6]C[6]H)(C[5]O[5]O)	H(C[5,6,6]C[3x5,3x6]C[5,6]C[6])	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3x5,3x6](C[4x5,6,6]C[3x5,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]HH)(C[5,6,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[3x5,3x6]C[5,6]C[6])	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	111.2750	0.821	3	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2{4|C<4>,4|H<1>}	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(H){2|C<4>,9|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	114.4230	0.147	2	114.4230	0.022	2	114.4230	0.022	2	112.6380	1.919	6	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[4,3x5]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	111.7455	0.070	4	111.7455	0.005	4	111.7455	0.005	4	112.6380	1.919	6	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H)	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	108.6980	0.041	2	108.6980	0.002	2	108.3160	0.439	3	107.9603	0.799	4	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H)	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	107.5520	0.000	1	107.5520	0.000	1	108.3160	0.439	3	107.9603	0.799	4	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C[6a])	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C[6a])	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	107.9603	0.799	4	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5,6]-4:N[5,5,6]-3:C[5,6,6]-4:O[5,5]-2:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6]){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H)	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H){6|H<1>,8|C<4>}	C[3x5,6,6](C[4x5,6,6]C[3x5,6,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(H){11|H<1>,3|C<4>}	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]C[5,6,6])	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	110.3655	6.465	13	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:3:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	114.5002	0.121	4	114.5002	0.015	4	114.5002	0.015	4	114.2880	0.236	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H)	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	113.4390	0.000	1	113.4390	0.000	1	113.4390	0.000	1	114.2880	0.236	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	111.7475	0.025	2	111.7475	0.001	2	111.7205	0.001	4	111.7205	0.001	4	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	111.6935	0.013	2	111.6935	0.000	2	111.7205	0.001	4	111.7205	0.001	4	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.6190	0.000	1	110.6190	0.000	1	110.5452	0.024	5	110.5452	0.024	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.4925	0.223	2	110.5267	0.030	4	110.5452	0.024	5	110.5452	0.024	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.6950	0.000	1	110.5267	0.030	4	110.5452	0.024	5	110.5452	0.024	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	110.4270	0.000	1	110.5267	0.030	4	110.5452	0.024	5	110.5452	0.024	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,3x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	H(C[5,6,6]C[5,3x6]C[3x6]O[5])	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H){1|O<1>,7|C<4>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]O[5])	111.4360	0.101	4	111.4360	0.010	4	111.4360	0.010	4	111.4812	0.018	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	H(C[5,6,6]C[5,3x6]O[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]O[6,6]C[5])	111.6620	0.000	1	111.6620	0.000	1	111.6620	0.000	1	111.4812	0.018	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	112.0630	0.000	1	112.0630	0.000	1	112.2885	0.102	2	112.2885	0.102	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	112.5140	0.000	1	112.5140	0.000	1	112.2885	0.102	2	112.2885	0.102	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,7|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.7460	0.000	1	110.7460	0.000	1	110.5433	0.101	8	110.5433	0.101	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.4810	0.000	1	110.5143	0.110	7	110.5433	0.101	8	110.5433	0.101	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|C<4>,2|O<2>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.4510	0.000	1	110.5143	0.110	7	110.5433	0.101	8	110.5433	0.101	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.4085	0.060	2	110.5143	0.110	7	110.5433	0.101	8	110.5433	0.101	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.3020	0.010	2	110.5143	0.110	7	110.5433	0.101	8	110.5433	0.101	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,3|C<3>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	111.2470	0.000	1	110.5143	0.110	7	110.5433	0.101	8	110.5433	0.101	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	111.6280	0.000	1	111.6280	0.000	1	114.3145	14.435	2	114.3145	14.435	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	117.0010	0.000	1	117.0010	0.000	1	114.3145	14.435	2	114.3145	14.435	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,4x6]-4:C[5,3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	H(C[5,6,6]C[5,3x6]C[5,4x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H){2|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,4x6]O[5])	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O){1|Si<4>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	111.5375	0.199	2	111.5375	0.039	2	111.5375	0.039	2	111.5375	0.039	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.2220	0.000	1	112.2300	0.000	2	112.2473	0.001	3	112.2473	0.001	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.2380	0.000	1	112.2300	0.000	2	112.2473	0.001	3	112.2473	0.001	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.2820	0.000	1	112.2820	0.000	1	112.2473	0.001	3	112.2473	0.001	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	110.0253	0.233	3	110.0253	0.054	3	110.0253	0.054	3	110.2472	0.233	4	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.2472	0.233	4	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){1|C<4>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	109.4642	0.207	4	109.4642	0.043	4	109.4642	0.043	4	109.4690	0.032	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H){11|C<3>,1|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|O<1>,9|C<3>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4690	0.032	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:N[6,6]-2:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H)	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.1943	0.086	3	109.3967	0.169	4	109.3967	0.169	4	111.2474	2.632	10	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	110.0040	0.000	1	109.3967	0.169	4	109.3967	0.169	4	111.2474	2.632	10	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	111.2474	2.632	10	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.1770	0.034	2	112.1770	0.001	2	112.1770	0.001	2	111.2474	2.632	10	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.5880	0.000	1	112.5880	0.000	1	112.5160	0.010	2	111.2474	2.632	10	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.4440	0.000	1	112.4440	0.000	1	112.5160	0.010	2	111.2474	2.632	10	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	111.2474	2.632	10	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){2|C<4>,8|C<3>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|O<1>,9|C<3>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	108.5711	3.316	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	110.1780	0.083	2	110.1780	0.007	2	110.1780	0.007	2	108.5711	3.316	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.0120	0.484	2	106.0120	0.234	2	106.0120	0.234	2	108.5711	3.316	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:N[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H)	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C)	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]N[5])	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	108.5711	3.316	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	H(C[5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.5711	3.316	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H)	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.3275	0.086	2	111.3275	0.007	2	111.3275	0.007	2	109.1816	9.387	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	109.1816	9.387	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.9070	0.010	2	105.9070	0.000	2	107.2048	1.420	5	109.1816	9.387	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.0700	0.181	3	108.0700	0.033	3	107.2048	1.420	5	109.1816	9.387	8	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[4,5,5,6,6]-4:C[3,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[3x5,6,6]CH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[3,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	108.7150	0.027	2	108.7150	0.001	2	108.7150	0.001	2	108.7598	3.795	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,3x6]-4:C-3:H-1:	C[4,5,5,6,6]-4:C[4,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[4,6,6]H)(CC[6a]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C)	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	108.7598	3.795	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[4,5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C[6a])	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C[6a])	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	108.7598	3.795	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H){2|Cl<1>,4|C<4>,5|H<1>}	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	108.7598	3.795	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,3x6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5])	H(C[5,6,6]C[5,3x6]C[3x6]N[5])	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,2|C<4>,8|H<1>}	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]N[5])	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.5790	0.000	1	109.5790	0.000	1	109.5087	0.004	3	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.4570	0.000	1	109.4570	0.000	1	109.5087	0.004	3	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.4900	0.000	1	109.4900	0.000	1	109.5087	0.004	3	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.8440	0.000	1	110.0142	0.053	9	109.9424	0.154	15	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.8800	0.000	1	110.0142	0.053	9	109.9424	0.154	15	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.0390	0.347	3	110.0142	0.053	9	109.9424	0.154	15	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.0718	0.202	4	110.0142	0.053	9	109.9424	0.154	15	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.1880	0.000	1	110.1880	0.000	1	109.9424	0.154	15	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.7640	0.606	5	109.7640	0.367	5	109.9424	0.154	15	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.8628	0.148	19	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.0990	0.000	1	108.2750	0.062	2	108.2750	0.062	2	108.2750	0.062	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.4510	0.000	1	108.2750	0.062	2	108.2750	0.062	2	108.2750	0.062	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	110.1290	1.223	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.1290	1.223	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:4:4:2:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	110.6542	0.084	4	110.6542	0.007	4	110.6015	0.026	16	110.6015	0.026	16	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	110.5839	0.178	12	110.5839	0.032	12	110.6015	0.026	16	110.6015	0.026	16	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,3x6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H)	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH)	H(C[5,6,6]C[3,5,6]C[5,3x6]C[6])	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[3,5,6]C[5,3x6]C[6])	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H){2|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.6450	0.061	3	111.6450	0.004	3	111.6450	0.004	3	111.6450	0.004	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.9790	0.768	2	106.9790	0.590	2	106.9790	0.590	2	106.7941	0.407	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.7070	0.000	1	107.7070	0.000	1	106.7202	0.439	5	106.7941	0.407	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.8520	0.000	1	106.2055	0.250	2	106.7202	0.439	5	106.7941	0.407	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.5590	0.000	1	106.2055	0.250	2	106.7202	0.439	5	106.7941	0.407	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.7160	0.000	1	106.7160	0.000	1	106.7202	0.439	5	106.7941	0.407	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.7670	0.000	1	106.7670	0.000	1	106.7202	0.439	5	106.7941	0.407	7	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	107.8855	0.313	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.8855	0.313	2	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.5815	0.436	2	109.5815	0.190	2	109.4973	0.116	3	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.3290	0.000	1	109.3290	0.000	1	109.4973	0.116	3	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H){2|H<1>,6|C<3>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,9|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	109.9860	0.709	2	109.9860	0.502	2	109.9860	0.502	2	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.8020	0.000	1	111.8020	0.000	1	110.6670	0.642	4	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.1280	0.233	2	110.1280	0.054	2	110.6670	0.642	4	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.6100	0.000	1	110.6100	0.000	1	110.6670	0.642	4	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	111.1780	0.000	1	111.3150	0.052	3	111.3150	0.052	3	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){3|C<4>,3|O<1>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]S[5])	111.3835	0.274	2	111.3150	0.052	3	111.3150	0.052	3	110.4825	0.741	13	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.8300	0.000	1	108.7827	0.062	3	108.7827	0.062	3	108.7827	0.062	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.5130	0.000	1	108.7827	0.062	3	108.7827	0.062	3	108.7827	0.062	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.0050	0.000	1	108.7827	0.062	3	108.7827	0.062	3	108.7827	0.062	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|C<4>,1|O<1>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.4245	0.174	4	110.4245	0.030	4	110.4245	0.030	4	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.4830	0.000	1	107.4830	0.000	1	106.6503	1.187	3	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.0510	0.000	1	107.0510	0.000	1	106.6503	1.187	3	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|C<4>,2|O<2>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.4170	0.000	1	105.4170	0.000	1	106.6503	1.187	3	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.0110	0.000	1	107.0110	0.000	1	107.6120	0.722	2	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.2130	0.000	1	108.2130	0.000	1	107.6120	0.722	2	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.2210	0.000	2	105.2210	0.000	2	105.2017	0.001	3	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.1630	0.000	1	105.1630	0.000	1	105.2017	0.001	3	107.7065	4.993	12	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	110.5664	2.218	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[5,5,6]C[6])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,5,6]C[6])	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	110.5664	2.218	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.5664	2.218	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	110.5664	2.218	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	110.5664	2.218	5	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H)	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.2540	0.034	2	107.2540	0.001	2	107.2910	0.005	3	107.2910	0.005	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.3650	0.000	1	107.3650	0.000	1	107.2910	0.005	3	107.2910	0.005	3	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	106.6800	0.000	1	110.9460	36.398	2	110.9460	36.398	2	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	115.2120	0.000	1	110.9460	36.398	2	110.9460	36.398	2	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.2390	0.000	1	111.2390	0.000	1	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.3290	0.000	1	111.3290	0.000	1	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.4590	0.080	4	111.4590	0.006	4	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.2670	0.000	1	111.3360	0.010	2	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.4050	0.000	1	111.3360	0.010	2	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.7060	0.281	4	110.7354	0.064	5	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.8530	0.000	1	110.7354	0.064	5	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.9460	0.000	1	110.9460	0.000	1	111.1214	0.128	14	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	107.1090	0.000	1	107.1090	0.000	1	107.5320	0.358	2	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	107.9550	0.000	1	107.9550	0.000	1	107.5320	0.358	2	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.4010	0.000	1	111.4010	0.000	1	111.4010	0.000	1	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.6660	0.000	1	107.6660	0.000	1	107.6660	0.000	1	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH)	H(C[5,6,6]C[5,3x6]C[3x6]C[5,5])	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5,5])	104.8570	0.000	1	104.8570	0.000	1	104.8570	0.000	1	110.3455	4.652	23	110.0493	4.187	195	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	114.0510	0.000	1	109.7564	2.425	10	109.7564	2.425	10	109.8988	2.406	11	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	109.7040	0.256	2	109.7564	2.425	10	109.7564	2.425	10	109.8988	2.406	11	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	108.9510	0.000	1	109.7564	2.425	10	109.7564	2.425	10	109.8988	2.406	11	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	108.9863	0.442	3	109.7564	2.425	10	109.7564	2.425	10	109.8988	2.406	11	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	109.2520	0.000	1	109.7564	2.425	10	109.7564	2.425	10	109.8988	2.406	11	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,4x6]C[3x6]O[5])	109.4715	0.281	2	109.7564	2.425	10	109.7564	2.425	10	109.8988	2.406	11	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,4x6]-4:C[5,3x6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	H(C[5,6,6]C[5,3x6]C[5,4x6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H){2|C<3>,5|H<1>,6|C<4>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[5,4x6]O[5])	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	109.8988	2.406	11	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4,4x6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[6,6]O[5])	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]O[5])	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,4x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H)	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	H(C[5,6,6]C[5,4x6]O[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,4x6]O[6,6]C[5])	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	H(C[5,6,6]C[5,4x6]C[5,6]O[6])	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,4x6]C[5,6]O[6])	114.9990	1.283	2	114.9990	1.645	2	114.9990	1.645	2	114.9990	1.645	2	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,4x6]-4:C[4x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	H(C[5,6,6]C[5,4x6]C[4x6]O[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	H(C[5,6,6]C[5,4x6]C[4x6]O[5])	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[3x6]-4:N[5,6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H)	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])	H(C[5,6,6]C[5,4x6]C[5,6,6]C[5])	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5]){1|Br<1>,1|C<4>,1|N<2>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,4x6]C[5,6,6]C[5])	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,4x6]-4:C[4x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5620	0.000	1	110.5705	0.000	2	110.5427	0.001	4	110.5427	0.001	4	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5790	0.000	1	110.5705	0.000	2	110.5427	0.001	4	110.5427	0.001	4	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.4900	0.000	1	110.5150	0.001	2	110.5427	0.001	4	110.5427	0.001	4	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){2|O<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5400	0.000	1	110.5150	0.001	2	110.5427	0.001	4	110.5427	0.001	4	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.8105	0.276	2	110.8105	0.076	2	110.8105	0.076	2	110.8078	0.087	6	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	110.8078	0.087	6	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.6880	0.000	1	110.6370	0.007	3	110.6370	0.007	3	110.8078	0.087	6	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<2>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.6115	0.095	2	110.6370	0.007	3	110.6370	0.007	3	110.8078	0.087	6	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[5,6]C[6,6])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,4x6]C[5,6]C[6,6])	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	111.0010	0.087	3	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.0010	0.087	3	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	111.0010	0.087	3	110.5728	3.146	32	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,3x6]	H	4:3:4:1:	4:3:2:3:	4:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	H(C[5,6,6]C[5,5,3x6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6a]C[5,6])	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.1625	7.381	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,3x6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,5,3x6]C[5,6,6]C[6])	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,3x6]C[5,6,6]C[6])	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	110.1625	7.381	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,3x6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H)	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])	H(C[5,6,6]C[5,5,3x6]C[6,6]N[5])	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|S<2>,5|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6]N[5])	112.0060	0.000	1	112.0060	0.000	1	112.0060	0.000	1	112.0060	0.000	1	110.1625	7.381	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	106.9993	0.272	3	106.9993	0.074	3	106.9993	0.074	3	106.9993	0.074	3	110.1625	7.381	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	113.4830	0.313	2	113.4830	0.098	2	113.2447	0.219	3	113.2447	0.219	3	110.1625	7.381	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	112.7680	0.000	1	112.7680	0.000	1	113.2447	0.219	3	113.2447	0.219	3	110.1625	7.381	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH)	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<4>,4|O<2>}	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH){1|C<4>,3|O<2>,9|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.1625	7.381	10	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:2:2:1:	4:3:4:1:	4:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H){2|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6,6]O[5,6]O[6])	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]O[5,6]N[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]N[6])	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:2:	4:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	H(C[5,6,6]C[5,5,6,6]S[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6,6]S[5,6]C[6])	109.3545	0.063	2	109.3545	0.004	2	109.3545	0.004	2	109.3545	0.004	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:2:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	108.9785	0.053	2	108.5632	0.287	4	108.5632	0.287	4	108.5632	0.287	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:2:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	108.1480	0.412	2	108.5632	0.287	4	108.5632	0.287	4	108.5632	0.287	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[3x5]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H)	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH)	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH){1|O<2>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H)	H(C[5,6,6]C[5,5,6,6]N[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H){2|H<1>,5|C<3>}	H(C[5,6,6]C[5,5,6,6]N[5,6]O[6])	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.8135	0.026	2	107.8135	0.001	2	107.8135	0.001	2	107.8135	0.001	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,1|N<3>,8|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	104.8260	0.001	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C){1|H<1>,9|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	104.8090	0.000	1	104.8090	0.000	1	104.8090	0.000	1	104.8260	0.001	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H){1|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.7060	0.000	1	107.7060	0.000	1	107.3580	0.242	2	107.3580	0.242	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.0100	0.000	1	107.0100	0.000	1	107.3580	0.242	2	107.3580	0.242	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:2:2:4:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:O[5,5]-2:N[5,6]-2:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	105.3774	0.120	7	105.3774	0.014	7	105.3774	0.014	7	105.3774	0.014	7	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6,6]N[5,6,6]C[6])	108.4595	0.204	2	108.4595	0.042	2	108.4595	0.042	2	108.4595	0.042	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	108.8230	6.799	3	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	108.8230	6.799	3	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	108.8230	6.799	3	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	N[3x5,6]-3:C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]2H)	111.6410	0.021	2	111.6410	0.000	2	111.6410	0.000	2	111.6410	0.000	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2	C[5,5,6,6](C[5,6,6]C[4,5,6,6]HH)2(O[5,5]C[4,5,5,6])(H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2{1|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[4,5,6,6]HH)2(O[5,5]C[4,5,5,6])(H){1|O<2>,3|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	112.0860	2.844	2	112.0860	8.088	2	112.0860	8.088	2	112.0860	8.088	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]2H)	110.7710	0.023	2	110.7710	0.001	2	110.8277	0.004	4	110.8277	0.004	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]2H)	110.8845	0.006	2	110.8845	0.000	2	110.8277	0.004	4	110.8277	0.004	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,3x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,5,6,6]C[3x5,6]C[5,6]C)(H)2	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3)	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,5,6,6]C[3x5,6]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	111.7930	0.006	2	111.7930	0.000	2	111.7930	0.000	2	111.7930	0.000	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2{4|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	109.4210	1.181	2	109.4210	1.394	2	109.4210	1.394	2	110.5480	1.657	16	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,3x6]-4:C[5,5,6,6]-4:Cl-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H)	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H)	H(C[5,6,6]C[4,5,3x6]C[5,5,6,6]Cl)	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H){1|O<2>,3|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H){2|C<4>,2|H<1>}	H(C[5,6,6]C[4,5,3x6]C[5,5,6,6]Cl)	108.4673	0.229	3	108.4673	0.053	3	108.4673	0.053	3	110.5480	1.657	16	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C)(C[5,5,6,6]C[4x5,6]C[5,6]H)(H)2	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C)(C[5,5,6,6]C[4x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)	111.7820	0.037	2	111.7820	0.001	2	111.7820	0.001	2	110.5480	1.657	16	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2{1|Cl<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H){2|C<4>,2|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	111.2114	0.039	5	111.2114	0.001	5	111.2114	0.001	5	110.5480	1.657	16	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6,6]2H)	111.6515	0.018	2	111.6515	0.000	2	111.2258	0.245	4	110.5480	1.657	16	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]2H)	110.7270	0.000	1	110.7270	0.000	1	111.2258	0.245	4	110.5480	1.657	16	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5,6,6]C[5,5,6,6]2H)	110.8730	0.000	1	110.8730	0.000	1	111.2258	0.245	4	110.5480	1.657	16	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	108.4260	0.358	2	108.4260	0.128	2	108.4260	0.128	2	109.4605	1.496	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])	110.4950	0.281	2	110.4950	0.079	2	110.4950	0.079	2	109.4605	1.496	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H)	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|S<2>,2|F<1>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	108.5930	0.000	1	108.5930	0.000	1	108.5930	0.000	1	108.5930	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	108.6610	0.000	1	108.6610	0.000	1	108.6140	0.004	2	108.6140	0.004	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	108.5670	0.000	1	108.5670	0.000	1	108.6140	0.004	2	108.6140	0.004	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	H(C[5,6,6]C[5,5,6,6]C[3x6]O[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]O[5])	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H)	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[4,5,5,6,6]C[5]H)(C[5,6,6]C[4,5,6,6]CH)(C[5,5]C[4,5,5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C)	105.9910	0.000	1	105.9910	0.000	1	105.9910	0.000	1	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H)	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]C)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	111.4080	0.000	1	111.4080	0.000	1	111.3310	0.012	2	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	111.2540	0.000	1	111.2540	0.000	1	111.3310	0.012	2	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]Br)(C[5,5,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	106.6940	0.000	1	106.6940	0.000	1	107.6730	1.010	3	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.6230	0.000	1	107.6230	0.000	1	107.6730	1.010	3	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H){1|N<3>,1|O<1>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.7020	0.000	1	108.7020	0.000	1	107.6730	1.010	3	109.1624	4.181	9	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6])	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O)	H(C[5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>,9|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6]N[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]N[6])	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6,6]-4:C[5,6]-4:S[6]-4:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H)	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6]S[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|O<2>,2|O<1>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]S[6])	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]H)(O[5,6]C[5,5,6])(O[5]C[5])	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]H)(O[5,6]C[5,5,6])(O[5]C[5]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	110.0012	1.841	5	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH){1|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.9395	0.619	2	109.9395	0.383	2	109.9395	0.383	2	110.0012	1.841	5	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.2870	0.000	1	111.2870	0.000	1	111.1155	0.059	2	110.0012	1.841	5	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH){1|C<3>,1|O<2>,8|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	110.9440	0.000	1	110.9440	0.000	1	111.1155	0.059	2	110.0012	1.841	5	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.0390	0.171	2	109.0390	0.029	2	109.0390	0.029	2	109.0390	0.029	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H){6|H<1>,8|C<4>}	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H){4|C<4>,6|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]C[5,6,6])	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.5040	0.000	1	109.5040	0.000	1	109.4445	0.007	2	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.3850	0.000	1	109.3850	0.000	1	109.4445	0.007	2	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	106.1540	0.000	1	106.1540	0.000	1	106.1540	0.000	1	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H){2|C<2>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	112.2480	0.000	1	112.2480	0.000	1	112.2480	0.000	1	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.4000	0.124	2	108.4000	0.015	2	107.9880	0.517	3	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.1640	0.000	1	107.1640	0.000	1	107.9880	0.517	3	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	H(C[5,6,6]C[5,5,6,6]C[6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6]C[5])	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	109.1941	3.533	11	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H)	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH)	H(C[5,6,6]C[5,5,6,6]C[3,6]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H){2|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH){2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3,6]C[5,6])	107.6370	0.290	2	107.6370	0.084	2	107.6370	0.084	2	105.8479	42.815	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	105.8479	42.815	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	96.4575	0.000	1	96.4575	0.000	1	96.4575	0.000	1	105.8479	42.815	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O)	H(C[5,6,6]C[5,5,6,6]2C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]2C[6])	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	107.7745	0.278	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|C<4>,1|S<4>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	107.7745	0.278	2	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6,6]2C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]2C[6])	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	109.7242	2.377	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	109.7242	2.377	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,3|O<2>}	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH){1|O<2>,3|C<4>,8|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	109.7242	2.377	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	109.7242	2.377	4	109.1857	5.323	115	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6,6]-3:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	111.3730	1.715	2	111.3730	2.943	2	111.3730	2.943	2	111.3730	2.943	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.8170	0.000	1	109.9461	0.140	14	109.9461	0.140	14	109.9461	0.140	14	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.9561	0.388	13	109.9461	0.140	14	109.9461	0.140	14	109.9461	0.140	14	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.8448	0.374	20	109.8448	0.140	20	109.8448	0.140	20	109.8448	0.140	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	109.8010	0.000	1	109.9925	0.073	2	109.9925	0.073	2	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]N[5,5,6]C[6,6])	110.1840	0.000	1	109.9925	0.073	2	109.9925	0.073	2	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.6220	0.000	1	109.4865	0.037	2	109.4865	0.037	2	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.3510	0.000	1	109.4865	0.037	2	109.4865	0.037	2	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.6347	0.457	3	109.6347	0.209	3	109.5246	0.131	5	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.2790	0.000	1	109.3595	0.013	2	109.5246	0.131	5	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,4|C<3>,9|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.4400	0.000	1	109.3595	0.013	2	109.5246	0.131	5	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	109.4954	0.266	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	112.7320	0.100	2	112.7320	0.010	2	112.7320	0.010	2	112.7320	0.010	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8895	0.240	4	107.9659	0.261	14	107.9659	0.261	14	107.9659	0.261	14	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.7020	0.000	1	107.9659	0.261	14	107.9659	0.261	14	107.9659	0.261	14	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.4487	0.483	4	107.9659	0.261	14	107.9659	0.261	14	107.9659	0.261	14	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8872	0.353	4	107.9659	0.261	14	107.9659	0.261	14	107.9659	0.261	14	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	106.9180	0.000	1	107.9659	0.261	14	107.9659	0.261	14	107.9659	0.261	14	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	110.6230	0.154	2	110.6230	0.024	2	110.6230	0.024	2	110.6230	0.024	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[5,6])	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[5,6])	104.2580	0.000	1	104.2580	0.000	1	104.2580	0.000	1	104.2580	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	114.8480	0.000	1	114.8480	0.000	1	111.6405	20.576	2	110.2180	9.559	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	108.4330	0.000	1	108.4330	0.000	1	111.6405	20.576	2	110.2180	9.559	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|S<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	108.7390	0.000	1	108.7390	0.000	1	108.7955	0.006	2	110.2180	9.559	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	108.8520	0.000	1	108.8520	0.000	1	108.7955	0.006	2	110.2180	9.559	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO){3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	110.5980	0.000	1	110.5980	0.000	1	109.2897	1.284	3	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	108.6570	0.000	1	108.6355	0.001	2	109.2897	1.284	3	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	108.6140	0.000	1	108.6355	0.001	2	109.2897	1.284	3	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.2640	0.000	1	109.2640	0.000	1	109.3932	0.053	5	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.3535	0.411	2	109.4255	0.063	4	109.3932	0.053	5	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.4975	0.013	2	109.4255	0.063	4	109.3932	0.053	5	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3)	H(C[5,6,6]C[5,5,6]C[6,6]O[5,6])	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]O[5,6])	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	109.8316	1.729	10	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	109.9818	0.669	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){4|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	110.3410	0.000	1	110.3410	0.000	1	110.3767	0.068	3	109.9818	0.669	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	110.6540	0.000	1	110.3945	0.135	2	110.3767	0.068	3	109.9818	0.669	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	110.1350	0.000	1	110.3945	0.135	2	110.3767	0.068	3	109.9818	0.669	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.0420	0.000	1	108.0420	0.000	1	108.3565	0.198	2	108.3565	0.198	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6710	0.000	1	108.6710	0.000	1	108.3565	0.198	2	108.3565	0.198	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.8851	0.752	8	108.8851	0.565	8	108.8851	0.565	8	108.8851	0.565	8	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){2|O<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	111.0575	0.253	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	111.4130	0.000	1	111.4130	0.000	1	111.4130	0.000	1	111.0575	0.253	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|Mo<6>,1|O<2>,1|P<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2){1|Mo<6>,1|C<4>,4|H<1>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[3,6,6]C[5,5,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[3,6,6]C[5,5,6]N[5,6])	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.3890	0.000	1	109.5247	0.142	4	109.5247	0.142	4	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.5700	0.447	3	109.5247	0.142	4	109.5247	0.142	4	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.3650	0.462	2	109.3650	0.214	2	109.2063	1.845	10	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.6500	0.000	1	107.6500	0.000	1	109.2063	1.845	10	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	112.7690	0.000	1	112.7690	0.000	1	109.2063	1.845	10	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.6130	0.154	3	108.8190	0.066	6	109.2063	1.845	10	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,4|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.0250	0.115	3	108.8190	0.066	6	109.2063	1.845	10	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H){11|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.9655	0.145	2	108.9655	0.021	2	108.9655	0.021	2	109.1918	1.097	18	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	106.8660	0.000	1	106.8660	0.000	1	106.8660	0.000	1	106.8660	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH){3|H<1>,4|C<3>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.1180	0.000	1	109.1180	0.000	1	108.6640	0.412	2	108.2567	0.704	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.2100	0.000	1	108.2100	0.000	1	108.6640	0.412	2	108.2567	0.704	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	108.2567	0.704	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	94.2774	0.000	1	94.2774	0.000	1	94.2774	0.000	1	94.2774	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4380	0.284	2	108.4380	0.081	2	108.4380	0.081	2	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.8050	0.000	1	107.1260	0.206	2	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.4470	0.000	1	107.1260	0.206	2	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7963	1.004	4	108.7963	1.008	4	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.0980	0.000	1	107.0895	1.966	2	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.0810	0.000	1	107.0895	1.966	2	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.2990	0.000	1	109.2990	0.000	1	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.9014	1.888	8	107.9014	3.563	8	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.7585	0.207	2	107.7585	0.043	2	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.1455	0.271	8	108.1455	0.073	8	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.8250	0.000	1	107.8250	0.000	1	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|N<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.3940	0.000	1	107.3940	0.000	1	108.0009	1.388	29	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	107.7035	1.347	2	107.7035	1.815	2	108.5820	2.096	7	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.6863	0.763	3	108.9334	2.150	5	108.5820	2.096	7	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	107.8040	1.785	2	108.9334	2.150	5	108.5820	2.096	7	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	109.2380	0.000	1	109.2380	0.000	1	109.1380	0.020	2	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	109.0380	0.000	1	109.0380	0.000	1	109.1380	0.020	2	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	109.7398	0.176	4	109.7398	0.031	4	109.7398	0.031	4	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.9600	0.000	1	107.9600	0.000	1	108.6650	0.284	5	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6540	0.000	1	108.6540	0.000	1	108.6650	0.284	5	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.9037	0.485	3	108.9037	0.235	3	108.6650	0.284	5	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	108.3857	1.353	52	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.4010	0.000	1	108.4010	0.000	1	109.3059	1.173	74	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.8780	0.000	1	109.5200	0.842	63	109.3059	1.173	74	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.1809	2.354	9	109.5200	0.842	63	109.3059	1.173	74	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.5531	0.335	52	109.5200	0.842	63	109.3059	1.173	74	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	110.4920	0.000	1	109.5200	0.842	63	109.3059	1.173	74	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.0672	1.315	9	108.0478	1.541	10	109.3059	1.173	74	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.8730	0.000	1	108.0478	1.541	10	109.3059	1.173	74	109.3000	1.160	75	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	111.3710	0.000	1	111.3710	0.000	1	111.2910	0.013	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	111.2110	0.000	1	111.2110	0.000	1	111.2910	0.013	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.8530	0.000	1	108.9810	2.545	2	108.9810	2.545	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.1090	0.000	1	108.9810	2.545	2	108.9810	2.545	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	C[5,6,6]-4:S[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	109.3955	0.661	2	109.3955	0.437	2	109.3955	0.437	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H){2|C<3>,3|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	108.4080	0.317	2	108.4080	0.100	2	108.4080	0.100	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.9540	0.000	1	107.9540	0.000	1	108.0215	0.009	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	108.0890	0.000	1	108.0890	0.000	1	108.0215	0.009	2	108.9716	1.807	12	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.5770	0.000	1	109.4860	0.008	3	109.4860	0.008	3	109.4860	0.008	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.4830	0.000	1	109.4860	0.008	3	109.4860	0.008	3	109.4860	0.008	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.3980	0.000	1	109.4860	0.008	3	109.4860	0.008	3	109.4860	0.008	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.0450	0.000	1	109.0450	0.000	1	109.4490	0.326	2	108.2805	2.494	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.8530	0.000	1	109.8530	0.000	1	109.4490	0.326	2	108.2805	2.494	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:S[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.1120	1.301	2	107.1120	1.693	2	107.1120	1.693	2	108.2805	2.494	4	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:N[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H){1|N<2>,1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7855	0.267	8	108.7855	0.071	8	108.7855	0.071	8	108.7855	0.071	8	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.1470	0.000	1	109.1470	0.000	1	108.6487	0.189	3	108.6487	0.189	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.3995	0.070	2	108.3995	0.005	2	108.6487	0.189	3	108.6487	0.189	3	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H){1|O<1>,3|H<1>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.6670	0.204	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[4,6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[4,6])	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.6670	0.204	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	106.1250	0.000	1	106.1250	0.000	1	106.1250	0.000	1	109.8924	4.688	5	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	110.8342	0.580	4	110.8342	0.337	4	110.8342	0.337	4	109.8924	4.688	5	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	107.3628	0.881	6	107.3628	0.776	6	107.4374	0.686	7	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	107.8850	0.000	1	107.8850	0.000	1	107.4374	0.686	7	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7375	0.085	4	108.7375	0.007	4	108.3659	0.312	8	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|O<2>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.3335	0.148	2	107.9942	0.352	4	108.3659	0.312	8	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.1200	0.000	1	107.9942	0.352	4	108.3659	0.312	8	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.1900	0.000	1	107.9942	0.352	4	108.3659	0.312	8	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.3700	0.000	1	106.7520	0.764	2	107.6136	0.621	9	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.1340	0.000	1	106.7520	0.764	2	107.6136	0.621	9	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.2990	0.000	1	107.2990	0.000	1	107.6136	0.621	9	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7175	0.189	2	108.7175	0.036	2	107.6136	0.621	9	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.5710	0.218	4	107.5710	0.047	4	107.6136	0.621	9	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5362	1.442	6	108.5362	2.079	6	108.5219	1.221	10	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5005	0.445	4	108.5005	0.198	4	108.5219	1.221	10	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){5|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	107.6170	0.486	4	107.6170	0.236	4	107.6170	0.236	4	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	108.4270	0.000	1	108.1040	0.209	2	108.1040	0.209	2	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	107.7810	0.000	1	108.1040	0.209	2	108.1040	0.209	2	107.9508	0.799	42	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5])	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.8170	0.000	1	108.6933	0.809	53	108.6933	0.809	53	108.6933	0.809	53	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	108.6909	0.908	52	108.6933	0.809	53	108.6933	0.809	53	108.6933	0.809	53	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	H(C[5,6,6]C[5,3x6]C[5,5,6]C[6])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[5,5,6]C[6])	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	106.6950	0.000	1	106.6950	0.000	1	107.3815	0.943	2	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	108.0680	0.000	1	108.0680	0.000	1	107.3815	0.943	2	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|O<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.6140	0.278	4	106.6140	0.077	4	106.6140	0.077	4	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	110.3600	0.000	1	110.3600	0.000	1	109.4835	1.537	2	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6070	0.000	1	108.6070	0.000	1	109.4835	1.537	2	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	105.6670	0.000	1	106.3445	0.918	2	106.3803	0.463	3	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	107.0220	0.000	1	106.3445	0.918	2	106.3803	0.463	3	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	106.4520	0.000	1	106.4520	0.000	1	106.3803	0.463	3	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	107.2940	0.187	4	107.2940	0.035	4	107.2940	0.035	4	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.5140	0.000	1	109.5140	0.000	1	109.0030	0.522	2	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4920	0.000	1	108.4920	0.000	1	109.0030	0.522	2	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:Si[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H){1|C<4>,6|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[6])	106.6770	0.000	1	106.6770	0.000	1	106.6770	0.000	1	107.6700	2.046	20	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.9120	0.030	2	109.9120	0.001	2	109.9120	0.001	2	109.9120	0.001	2	108.8675	2.249	410	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5]	H	3:4:4:1:	4:3:4:3:	4:	N[5,3x6]-3:C[5,5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H)	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O)	H(C[5,6,6]N[5,3x6]C[5,5]C[6,6])	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]N[5,3x6]C[5,5]C[6,6])	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	107.2570	11.664	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:N[5,5]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH)	H(C[5,6,6]C[5,3x6]C[3x6]C[5,5])	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5,5])	104.8420	0.000	1	104.8420	0.000	1	104.8420	0.000	1	104.8420	0.000	1	107.2570	11.664	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:3:4:1:	3:3:4:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH){8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	108.3190	0.000	1	108.3190	0.000	1	106.9110	3.965	2	107.5504	1.371	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:3:4:1:	3:3:4:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH){8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	105.5030	0.000	1	105.5030	0.000	1	106.9110	3.965	2	107.5504	1.371	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:3:4:1:	3:3:4:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B){8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	108.3000	0.000	1	108.3000	0.000	1	107.9767	0.079	3	107.5504	1.371	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:3:4:1:	3:3:4:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe){8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.8330	0.000	1	107.8330	0.000	1	107.9767	0.079	3	107.5504	1.371	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:3:4:1:	3:3:4:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os){8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.7970	0.000	1	107.7970	0.000	1	107.9767	0.079	3	107.5504	1.371	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:3:4:1:	4:3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,1|C<4>,7|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:4:3:1:	4:3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6a]-3:P-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os)	H(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os){1|Os<5>,2|C<4>,6|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]2)	104.2830	0.000	1	104.2830	0.000	1	104.2830	0.000	1	104.2830	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5,6,6]C[5,6,6]C[5a,6]N[5,6])	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5a,6]N[5,6])	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	110.2410	0.424	16	110.2410	0.180	16	110.2410	0.180	16	110.2410	0.180	16	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:2:2:1:	4:4:3:1:	4:	C[5,6,6]-4:O[5,6]-2:O[6,6]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br)	H(C[5,6,6]C[5,6,6]O[5,6]O[6,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]O[5,6]O[6,6])	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH)	H(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH){2|C<4>,6|C<3>}	H(C[5,6,6]C[5,6,6]3)	98.4814	0.000	1	98.4814	0.000	1	98.4814	0.000	1	98.4814	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6,6]-4:P[3x6]-3:C[5]-3:H-1:	C[5,6,6]-4:P[3x6]-3:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]P[3x6]C[5]H)(P[3x6]C[5,6,6]2)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]P[3x6]C[5]H)(P[3x6]C[5,6,6]2)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]P[3x6]C[5])	C[5,6,6](C[5,6,6]P[3x6]C[5]H)(P[3x6]C[5,6,6]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6,6](C[5,6,6]P[3x6]C[5]H)(P[3x6]C[5,6,6]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(C[5,6,6]C[5,6,6]P[3x6]C[5])	108.9357	0.800	4	108.9357	0.640	4	108.9357	0.640	4	108.9357	0.640	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6,6]-4:N[5,5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	H(C[5,6,6]C[5,6,6]N[5,5,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	H(C[5,6,6]C[5,6,6]N[5,5,6]C[6])	107.2630	0.368	2	107.2630	0.135	2	107.2630	0.135	2	107.8393	1.064	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6,6]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	H(C[5,6,6]C[5,6,6]N[5,6]2)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]2)	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	107.8393	1.064	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|C<4>,1|O<1>,6|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	108.8725	0.087	2	109.4668	0.282	6	109.4668	0.282	6	109.4668	0.282	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	110.0345	0.095	2	109.4668	0.282	6	109.4668	0.282	6	109.4668	0.282	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<4>,2|O<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<4>,2|O<1>,6|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	109.4935	0.199	2	109.4668	0.282	6	109.4668	0.282	6	109.4668	0.282	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	111.6075	9.562	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	113.7940	0.000	1	113.7940	0.000	1	113.7940	0.000	1	111.6075	9.562	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	110.7660	4.731	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5,6,6]C[5,6,6]N[5,5,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]N[5,5,6]C[5,6])	112.3040	0.000	1	112.3040	0.000	1	112.3040	0.000	1	110.7660	4.731	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	108.5292	1.579	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.0087	0.275	3	108.0572	0.060	4	108.0572	0.060	4	108.5292	1.579	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.2030	0.000	1	108.0572	0.060	4	108.0572	0.060	4	108.5292	1.579	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	108.5292	1.579	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	111.2575	0.431	2	111.2090	0.100	3	110.7351	0.297	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	111.1120	0.000	1	111.2090	0.100	3	110.7351	0.297	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.9055	0.487	2	110.4757	0.673	3	110.7351	0.297	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	109.6160	0.000	1	110.4757	0.673	3	110.7351	0.297	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.4285	0.008	2	110.5743	0.049	4	110.7351	0.297	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.7200	0.249	2	110.5743	0.049	4	110.7351	0.297	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	110.9520	1.967	4	110.9520	3.871	4	110.9520	3.871	4	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	111.0900	0.000	1	110.7710	0.204	2	111.0441	1.138	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.4520	0.000	1	110.7710	0.204	2	111.0441	1.138	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	112.1580	0.000	1	111.1352	1.513	6	111.0441	1.138	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.3130	0.033	2	111.1352	1.513	6	111.0441	1.138	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	110.4265	0.049	2	111.1352	1.513	6	111.0441	1.138	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]O[5])	113.1740	0.000	1	111.1352	1.513	6	111.0441	1.138	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	108.7950	0.000	1	108.7950	0.000	1	108.7610	0.002	2	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	108.7270	0.000	1	108.7270	0.000	1	108.7610	0.002	2	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.6457	0.526	4	110.6457	0.277	4	110.6457	0.277	4	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	111.5440	0.000	1	110.6060	1.760	2	110.6619	2.951	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	109.6680	0.000	1	110.6060	1.760	2	110.6619	2.951	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.7920	0.034	2	110.6805	3.777	6	110.6619	2.951	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	113.8650	0.000	1	110.6805	3.777	6	110.6619	2.951	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.4415	0.152	2	110.6805	3.777	6	110.6619	2.951	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	107.7510	0.000	1	110.6805	3.777	6	110.6619	2.951	8	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.9110	0.243	2	111.9720	1.578	4	112.8196	6.726	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	113.3270	0.000	1	111.9720	1.578	4	112.8196	6.726	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	112.7390	0.000	1	111.9720	1.578	4	112.8196	6.726	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	112.8027	2.064	3	112.8027	4.261	3	112.8196	6.726	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	113.9667	4.497	3	113.9667	20.227	3	112.8196	6.726	10	111.1545	3.299	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:3:	4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	C[5,6,6]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH){1|C<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.3575	0.179	2	108.3575	0.032	2	108.6808	0.091	12	108.6808	0.091	12	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.1100	0.000	1	108.1100	0.000	1	108.6808	0.091	12	108.6808	0.091	12	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.6500	0.013	2	108.8161	0.033	9	108.6808	0.091	12	108.6808	0.091	12	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	108.8636	0.181	7	108.8161	0.033	9	108.6808	0.091	12	108.6808	0.091	12	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	110.3145	3.292	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H){2|C<3>,3|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.5280	0.058	2	109.5280	0.003	2	109.5280	0.003	2	110.3145	3.292	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H)	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]O[5])	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	110.3145	3.292	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	113.7490	0.000	1	113.7490	0.000	1	113.7490	0.000	1	110.3145	3.292	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	110.4340	0.000	1	110.4340	0.000	1	110.4340	0.000	1	110.3145	3.292	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.2480	0.000	1	109.2480	0.000	1	110.7000	4.217	2	110.0258	2.078	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	112.1520	0.000	1	112.1520	0.000	1	110.7000	4.217	2	110.0258	2.078	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.3515	0.448	2	109.3515	0.200	2	109.3515	0.200	2	110.0258	2.078	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[4x6]O[5])	109.5290	0.033	2	109.5290	0.001	2	109.5290	0.001	2	109.3503	0.053	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	109.0490	0.000	1	109.1715	0.030	2	109.1715	0.030	2	109.3503	0.053	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]O[5])	109.2940	0.000	1	109.1715	0.030	2	109.1715	0.030	2	109.3503	0.053	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	109.3835	0.603	2	109.3835	0.364	2	109.3835	0.364	2	109.3343	0.189	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	H(C[5,6,6]C[5,6,6]N[5,6]2)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){5|C<4>,8|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]2)	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.3343	0.189	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:N-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H){1|H<1>,2|O<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.9190	0.000	1	109.9190	0.000	1	111.2605	3.599	2	109.1240	7.295	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	112.6020	0.000	1	112.6020	0.000	1	111.2605	3.599	2	109.1240	7.295	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	109.1240	7.295	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	109.1240	7.295	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H)	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	H(C[5,6,6]C[5,4x6]C[5,6,6]C[5])	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5,6,6]C[5,4x6]C[5,6,6]C[5])	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	108.2315	3.088	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	108.2315	3.088	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.2315	3.088	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	108.2315	3.088	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H){2|C<3>,3|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	108.4025	0.351	2	108.4025	0.124	2	108.4025	0.124	2	108.2315	3.088	6	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O[6,6]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7210	0.253	2	109.7210	0.064	2	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3265	0.350	4	110.3265	0.123	4	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	111.6470	0.000	1	112.1660	0.539	2	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	112.6850	0.000	1	112.1660	0.539	2	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	111.0520	0.979	2	111.0520	0.958	2	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6520	0.000	1	109.7805	0.033	2	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9090	0.000	1	109.7805	0.033	2	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2070	0.263	8	110.3063	0.072	12	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5050	0.156	4	110.3063	0.072	12	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5455	0.247	4	110.5455	0.061	4	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6680	0.000	1	110.6680	0.000	1	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|Fe<10>,1|O<1>,4|C<3>,4|C<4>}	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|Fe<10>,1|O<1>,4|C<3>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1230	0.126	2	109.1230	0.016	2	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|W<7>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|W<7>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6050	0.218	2	110.0417	0.108	12	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1291	0.276	10	110.0417	0.108	12	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4270	0.000	1	110.4270	0.000	1	110.2828	0.405	44	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.8230	0.000	1	110.8230	0.000	1	110.3520	0.166	3	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1165	0.015	2	110.1165	0.000	2	110.3520	0.166	3	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5355	0.108	2	110.5355	0.012	2	110.5355	0.012	2	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9375	0.108	2	109.9375	0.012	2	109.8896	0.229	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5463	0.243	4	109.5004	0.055	5	109.8896	0.229	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3170	0.000	1	109.5004	0.055	5	109.8896	0.229	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.9190	0.000	1	110.9190	0.000	1	109.8896	0.229	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0850	0.000	1	110.0850	0.000	1	109.8896	0.229	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2025	0.053	2	110.2025	0.003	2	109.8896	0.229	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.5760	0.000	1	109.5760	0.000	1	109.3830	0.043	3	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.2865	0.172	2	109.2865	0.030	2	109.3830	0.043	3	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	108.3790	0.000	1	109.0325	0.854	2	109.3698	0.443	4	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.6860	0.000	1	109.0325	0.854	2	109.3698	0.443	4	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[4x6]C[5])	109.7070	0.146	2	109.7070	0.021	2	109.3698	0.443	4	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	110.1685	0.047	2	110.1685	0.002	2	110.1685	0.002	2	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	P[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|Mo<6>,1|O<2>,1|P<4>,2|H<1>,6|C<3>}	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.2260	0.000	1	110.2260	0.000	1	110.2260	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.7237	0.435	4	109.7237	0.189	4	108.9683	1.296	29	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.6060	1.614	8	109.6060	2.606	8	108.9683	1.296	29	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.2463	0.242	7	108.2463	0.058	7	108.9683	1.296	29	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){2|O<1>,7|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){2|O<1>,7|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.0520	0.000	1	107.0520	0.000	1	108.9683	1.296	29	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.8466	0.767	8	108.8466	0.588	8	108.9683	1.296	29	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7900	0.000	1	108.7900	0.000	1	108.9683	1.296	29	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H){3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.6820	0.762	3	109.6820	0.581	3	109.6820	0.581	3	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4355	0.426	2	110.4355	0.182	2	109.9895	0.171	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2010	0.000	1	110.2010	0.000	1	109.9895	0.171	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8053	0.204	4	109.7364	0.055	5	109.9895	0.171	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4610	0.000	1	109.7364	0.055	5	109.9895	0.171	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.6390	0.000	1	110.6390	0.000	1	109.9895	0.171	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7460	0.064	2	109.7460	0.004	2	109.9895	0.171	11	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9110	0.000	1	109.9675	0.006	2	110.0932	0.026	4	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0240	0.000	1	109.9675	0.006	2	110.0932	0.026	4	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2190	0.095	2	110.2190	0.009	2	110.0932	0.026	4	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4167	0.469	3	109.4167	0.220	3	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H){1|Br<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H){1|Br<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9850	0.311	2	109.9850	0.097	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6245	0.086	2	109.6245	0.007	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4173	0.251	6	110.0195	2.021	8	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	113.4270	0.000	1	110.0195	2.021	8	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2250	0.000	1	110.0195	2.021	8	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9580	0.000	2	109.9580	0.000	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	114.7560	0.000	1	110.5042	3.039	8	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8728	0.343	6	110.5042	3.039	8	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0410	0.000	1	110.5042	3.039	8	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	112.4755	0.620	2	111.0778	3.081	86	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.7931	1.591	74	111.0778	3.081	86	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	112.9049	1.930	10	111.0778	3.081	86	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3200	0.000	1	109.3200	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|P<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0220	0.000	1	110.0220	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2630	0.000	2	110.2630	0.000	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	111.8659	3.192	7	111.8659	10.192	7	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|O<1>,1|P<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5220	0.000	1	110.5220	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6360	0.000	1	109.6360	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5070	0.361	2	110.5070	0.130	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|P<2>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4390	0.000	1	109.4390	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|O<1>,1|P<2>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2460	0.000	1	110.2460	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2865	0.215	4	109.2865	0.046	4	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9010	0.000	1	109.9010	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3500	0.307	2	110.4079	0.053	7	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.5585	0.175	2	110.4079	0.053	7	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4700	0.190	2	110.4079	0.053	7	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0980	0.000	1	110.4079	0.053	7	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	112.4580	0.000	1	110.8897	1.975	3	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1055	0.511	2	110.8897	1.975	3	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3145	0.146	2	109.9521	0.176	10	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4260	0.229	2	109.9521	0.176	10	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7535	0.112	4	109.9521	0.176	10	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5130	0.465	2	109.9521	0.176	10	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4320	0.000	1	110.3895	0.004	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3470	0.000	1	110.3895	0.004	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4410	0.000	1	109.4410	0.000	1	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5435	0.108	2	111.0817	7.104	3	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	114.1580	0.000	1	111.0817	7.104	3	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3690	0.000	1	110.2215	0.044	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0740	0.000	1	110.2215	0.044	2	110.7084	2.737	161	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	110.7243	0.319	3	110.7243	0.102	3	110.7243	0.102	3	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H){3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.9013	0.486	3	108.9013	0.236	3	108.9013	0.236	3	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5x6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H)	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	H(C[5,6,6]C[5,6,6]N[5,6]2)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]2)	110.1110	0.018	2	110.1110	0.000	2	110.1110	0.000	2	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	P[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	H(C[5,6,6]C[5,6,6]P[5,5,6]C[6])	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|Mo<6>,1|O<2>,1|P<4>,2|H<1>,6|C<3>}	H(C[5,6,6]C[5,6,6]P[5,5,6]C[6])	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	110.3092	2.197	297	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){2|C<4>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	109.4570	0.000	1	109.4570	0.000	1	109.4400	0.028	5	109.7531	1.798	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){1|C<4>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	109.4357	0.192	4	109.4357	0.037	4	109.4400	0.028	5	109.7531	1.798	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	109.7531	1.798	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	112.5310	0.000	1	112.5310	0.000	1	111.5035	2.112	2	109.7531	1.798	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	110.4760	0.000	1	110.4760	0.000	1	111.5035	2.112	2	109.7531	1.798	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H){11|C<3>,1|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.8410	0.000	1	107.1630	0.207	2	107.1630	0.207	2	107.1630	0.207	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.4850	0.000	1	107.1630	0.207	2	107.1630	0.207	2	107.1630	0.207	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	112.5870	0.631	2	112.5870	0.398	2	112.5870	0.398	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.8110	0.000	1	107.8110	0.000	1	108.9640	2.659	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.1170	0.000	1	110.1170	0.000	1	108.9640	2.659	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H){1|O<1>,3|H<1>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|O<2>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4215	0.146	2	108.4215	0.021	2	108.3717	2.323	8	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.0680	0.000	1	107.0490	1.925	2	108.3717	2.323	8	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.0300	0.000	1	107.0490	1.925	2	108.3717	2.323	8	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.2370	0.000	1	109.2370	0.000	1	108.3717	2.323	8	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.7050	0.298	2	107.7050	0.089	2	108.3717	2.323	8	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	111.3860	0.000	1	111.3860	0.000	1	108.3717	2.323	8	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	107.6860	1.319	2	107.6860	1.741	2	108.1543	2.563	4	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.6225	2.252	2	108.6225	5.072	2	108.1543	2.563	4	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	110.6360	0.000	1	110.6360	0.000	1	110.4145	0.098	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	110.1930	0.000	1	110.1930	0.000	1	110.4145	0.098	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7035	0.045	2	109.7035	0.002	2	109.9279	0.342	10	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9810	0.000	1	109.9810	0.000	1	109.9279	0.342	10	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3410	0.000	1	110.3410	0.000	1	109.9279	0.342	10	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	111.3410	0.000	1	110.2960	0.855	3	109.9279	0.342	10	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7735	0.269	2	110.2960	0.855	3	109.9279	0.342	10	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8380	0.000	1	109.8380	0.000	1	109.9279	0.342	10	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4120	0.383	2	109.4120	0.147	2	109.9279	0.342	10	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	109.3040	0.000	1	109.3040	0.000	1	109.6570	0.249	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]N[5])	110.0100	0.000	1	110.0100	0.000	1	109.6570	0.249	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:Cl-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H){2|Cl<1>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl){1|Cl<1>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	109.2270	0.000	1	109.2270	0.000	1	109.1545	0.011	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	109.0820	0.000	1	109.0820	0.000	1	109.1545	0.011	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:Si[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H){1|C<4>,6|C<3>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){5|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	109.7110	0.188	4	109.7110	0.035	4	109.7110	0.035	4	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.8510	0.000	1	111.1475	0.176	2	111.1475	0.176	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	111.4440	0.000	1	111.1475	0.176	2	111.1475	0.176	2	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]N[5,6])	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	109.4469	2.092	47	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	H(C[5,6,6]C[5,6,6]2C[5,6a])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,7|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	H(C[5,6,6]C[5,6,6]2C[5,6a])	106.9100	0.000	2	106.9100	0.000	2	106.9285	0.000	4	106.9285	0.000	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	H(C[5,6,6]C[5,6,6]2C[5,6a])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,7|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	H(C[5,6,6]C[5,6,6]2C[5,6a])	106.9470	0.000	2	106.9470	0.000	2	106.9285	0.000	4	106.9285	0.000	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.2370	0.000	1	109.2370	0.000	1	109.2055	0.326	6	108.8707	0.873	9	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|H<1>,3|C<3>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.7275	0.228	2	109.7275	0.052	2	109.2055	0.326	6	108.8707	0.873	9	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.9850	0.000	1	108.6040	0.290	2	109.2055	0.326	6	108.8707	0.873	9	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.2230	0.000	1	108.6040	0.290	2	109.2055	0.326	6	108.8707	0.873	9	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	109.3330	0.000	1	109.3330	0.000	1	109.2055	0.326	6	108.8707	0.873	9	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H){11|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5,6])	108.9450	0.127	2	108.9450	0.016	2	108.9450	0.016	2	108.8707	0.873	9	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH)	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,7|H<1>,8|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	108.8707	0.873	9	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5])	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.4200	0.000	1	108.2819	0.018	8	108.2819	0.018	8	108.2819	0.018	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.2621	0.133	7	108.2819	0.018	8	108.2819	0.018	8	108.2819	0.018	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	109.1125	0.064	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	109.1125	0.064	2	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	110.1917	0.989	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	110.7240	0.526	2	110.7240	0.277	2	110.7240	0.277	2	110.1917	0.989	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	108.7204	7.136	7	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	106.1463	1.380	3	106.1463	1.904	3	106.1463	1.904	3	108.7204	7.136	7	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	108.7204	7.136	7	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	108.7204	7.136	7	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6]C[6])	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	108.7204	7.136	7	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	116.0430	0.000	1	116.0430	0.000	1	112.2960	28.080	2	109.4743	19.996	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5490	0.000	1	108.5490	0.000	1	112.2960	28.080	2	109.4743	19.996	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	106.6525	0.244	2	106.6525	0.060	2	106.6525	0.060	2	109.4743	19.996	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.9085	0.078	2	109.9085	0.006	2	109.9085	0.006	2	109.5183	0.460	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	109.5183	0.460	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	107.9295	0.561	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.7610	0.000	1	108.7610	0.000	1	107.9240	0.841	3	107.9295	0.561	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	106.9440	0.000	1	106.9440	0.000	1	107.9240	0.841	3	107.9295	0.561	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.0670	0.000	1	108.0670	0.000	1	107.9240	0.841	3	107.9295	0.561	4	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.6885	0.054	2	107.6885	0.003	2	107.6885	0.003	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1590	0.000	1	110.1590	0.000	1	110.0025	0.049	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8460	0.000	1	109.8460	0.000	1	110.0025	0.049	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H){1|O<1>,3|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[4,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[4,6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[4,6])	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|O<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4410	0.117	2	108.4410	0.014	2	108.0259	1.046	8	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.4560	0.000	1	106.7665	0.951	2	108.0259	1.046	8	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.0770	0.000	1	106.7665	0.951	2	108.0259	1.046	8	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.2330	0.000	1	107.2330	0.000	1	108.0259	1.046	8	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7200	0.228	2	108.7200	0.052	2	108.0259	1.046	8	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.1190	0.000	1	109.1190	0.000	1	108.0259	1.046	8	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.0690	0.000	1	109.0690	0.000	1	109.4975	0.367	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.9260	0.000	1	109.9260	0.000	1	109.4975	0.367	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2690	0.178	2	109.2690	0.032	2	109.3732	0.148	11	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2050	0.000	1	109.2050	0.000	1	109.3732	0.148	11	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8660	0.093	2	109.8660	0.009	2	109.3732	0.148	11	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<2>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0240	0.000	1	109.4480	0.291	3	109.3732	0.148	11	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1600	0.291	2	109.4480	0.291	3	109.3732	0.148	11	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2310	0.000	1	109.2310	0.000	1	109.3732	0.148	11	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.0275	0.204	2	109.0275	0.042	2	109.3732	0.148	11	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.5380	0.000	1	109.5380	0.000	1	109.0295	0.517	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5210	0.000	1	108.5210	0.000	1	109.0295	0.517	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5910	0.725	2	108.5910	0.526	2	109.4723	3.781	4	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	110.3535	2.777	2	110.3535	7.711	2	109.4723	3.781	4	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:Si[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H){1|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[6])	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	107.7640	0.000	1	107.7640	0.000	1	108.0885	0.211	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	108.4130	0.000	1	108.4130	0.000	1	108.0885	0.211	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){5|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	107.5902	0.487	4	107.5902	0.237	4	107.5902	0.237	4	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.8780	0.000	1	107.6235	0.130	2	107.6235	0.130	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.3690	0.000	1	107.6235	0.130	2	107.6235	0.130	2	108.6442	1.356	46	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	104.3990	0.000	1	104.3990	0.000	1	104.7403	0.144	3	107.0736	10.304	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	104.6740	0.000	1	104.6740	0.000	1	104.7403	0.144	3	107.0736	10.304	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5])	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	105.1480	0.000	1	105.1480	0.000	1	104.7403	0.144	3	107.0736	10.304	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	107.0736	10.304	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	107.0736	10.304	5	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1465	0.200	2	109.1465	0.040	2	109.1465	0.040	2	108.9940	0.090	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3){2|C<3>,9|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.9940	0.090	3	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H){6|H<1>,8|C<4>}	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H){6|H<1>,8|C<4>}	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]C[5,6,6])	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5050	0.000	1	109.5050	0.000	1	108.7669	0.856	8	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.5800	0.000	1	107.5800	0.000	1	108.7669	0.856	8	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8070	0.247	2	109.8070	0.061	2	108.7669	0.856	8	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.6250	0.000	1	107.6250	0.000	1	108.7669	0.856	8	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.8640	0.158	2	108.8640	0.025	2	108.7669	0.856	8	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.0830	0.000	1	108.0830	0.000	1	108.7669	0.856	8	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	110.5815	0.149	15	110.5815	0.022	15	110.5815	0.022	15	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	106.6200	0.000	1	106.6200	0.000	1	107.3755	1.142	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	108.1310	0.000	1	108.1310	0.000	1	107.3755	1.142	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	108.4242	0.798	6	108.4242	0.637	6	108.4242	0.637	6	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.6380	0.242	4	106.6380	0.059	4	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7885	0.174	4	108.7885	0.030	4	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.8370	0.000	1	107.8855	2.199	2	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.9340	0.000	1	107.8855	2.199	2	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.6070	0.237	4	107.6070	0.056	4	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7726	0.248	8	108.7726	0.062	8	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.1395	1.807	2	109.1395	3.264	2	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	110.8593	0.586	4	110.8593	0.343	4	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4010	0.150	2	108.4010	0.022	2	108.5535	1.694	30	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	107.0550	0.000	1	107.0550	0.000	1	106.4005	0.857	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	105.7460	0.000	1	105.7460	0.000	1	106.4005	0.857	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3792	0.264	4	109.2312	0.096	6	109.0715	0.278	16	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.9350	0.099	2	109.2312	0.096	6	109.0715	0.278	16	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.8045	0.127	2	108.8045	0.016	2	109.0715	0.278	16	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.7057	0.727	4	108.7057	0.528	4	109.0715	0.278	16	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3313	0.574	4	109.3313	0.329	4	109.0715	0.278	16	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2750	0.000	1	109.2750	0.000	1	109.2750	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.5148	1.603	6	108.5148	2.569	6	108.5148	2.569	6	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	108.4250	0.000	1	108.0925	0.221	2	107.7737	0.250	6	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	107.7600	0.000	1	108.0925	0.221	2	107.7737	0.250	6	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){5|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){5|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]2)	107.6142	0.491	4	107.6142	0.241	4	107.7737	0.250	6	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	H(C[5,6,6]C[5,6,6]2C[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H){1|O<1>,2|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]2C[5,6])	108.1817	0.074	3	108.1817	0.006	3	108.1817	0.006	3	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	109.9950	0.000	1	110.2435	0.124	2	110.2435	0.124	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	110.4920	0.000	1	110.2435	0.124	2	110.2435	0.124	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.0610	0.000	1	107.0610	0.000	1	109.0305	7.758	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	111.0000	0.000	1	111.0000	0.000	1	109.0305	7.758	2	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H){1|O<1>,2|O<2>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	106.6268	0.245	4	106.6268	0.060	4	106.6268	0.060	4	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H){1|Pt<6>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H){1|Pt<6>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.9620	0.081	4	110.9620	0.007	4	110.9620	0.007	4	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]N[5,6,6]C[6])	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	108.9106	1.874	115	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]2C[6])	104.5470	0.000	1	104.5470	0.000	1	106.5770	6.379	4	108.7089	7.930	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	110.2690	0.000	1	110.2690	0.000	1	106.5770	6.379	4	108.7089	7.930	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	105.7460	0.057	2	105.7460	0.003	2	106.5770	6.379	4	108.7089	7.930	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,3|O<2>,4|C<4>,7|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.8945	0.064	2	110.8945	0.004	2	110.8663	0.004	3	108.7089	7.930	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<4>,4|O<2>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.8100	0.000	1	110.8100	0.000	1	110.8663	0.004	3	108.7089	7.930	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	108.7089	7.930	8	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H){1|O<1>,2|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]2C[5,6])	108.1778	0.077	4	108.1778	0.006	4	108.1778	0.006	4	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	104.4000	0.000	1	104.4875	0.015	2	105.7963	4.150	7	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	104.5750	0.000	1	104.4875	0.015	2	105.7963	4.150	7	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	105.7620	0.051	2	106.3198	5.023	5	105.7963	4.150	7	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	104.7130	0.000	1	106.3198	5.023	5	105.7963	4.150	7	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	105.1140	0.000	1	106.3198	5.023	5	105.7963	4.150	7	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]2C[6])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]2C[6])	110.2480	0.000	1	106.3198	5.023	5	105.7963	4.150	7	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	104.1620	0.000	1	104.1620	0.000	1	104.1620	0.000	1	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.3640	0.304	2	110.3640	0.092	2	110.3640	0.092	2	107.2926	5.190	17	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){1|Br<1>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2080	0.000	1	109.2080	0.000	1	109.5040	0.091	3	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.6520	0.226	2	109.6520	0.051	2	109.5040	0.091	3	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	103.2920	0.000	1	103.2920	0.000	1	103.2920	0.000	1	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|O<2>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	104.7070	0.000	2	104.7070	0.000	2	104.7070	0.000	2	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	111.0230	0.102	3	111.0230	0.010	3	111.0230	0.010	3	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.0849	0.265	10	110.0849	0.070	10	110.0849	0.070	10	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	109.3257	5.123	22	109.5879	3.326	762	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:3:1:	4:3:2:4:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:3:1:	4:3:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO)	H(C[5,6,6]N[5,6,6]C[5,6]C[6])	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6])	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	H(C[5,6,6]C[5,6,6a]C[5,6]C[6,6])	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6a]C[5,6]C[6,6])	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:4:1:	4:3:2:4:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H){1|H<1>,3|C<3>,3|O<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2	H(C[5,6,6]C[6,6,6a]C[5,6]2)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5,6,6]C[6,6,6a]C[5,6]2)	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6]-3:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	110.3620	0.682	2	110.3620	0.465	2	110.3620	0.465	2	111.1719	0.538	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H)	H(C[5,6,6]C[6,6,6a]C[5,6]2)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6,6]C[6,6,6a]C[5,6]2)	112.5080	0.000	1	112.5080	0.000	1	112.5080	0.000	1	111.1719	0.538	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H)	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6,6])	111.2286	0.218	5	111.2286	0.048	5	111.2286	0.048	5	111.1719	0.538	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H)	H(C[5,6,6]Se[6,6]C[5,6]O[5,6])	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6,6]Se[6,6]C[5,6]O[5,6])	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	108.8140	0.959	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	108.8140	0.959	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6]N[5,6]N[6,6])	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]N[5,6]N[6,6])	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	108.8140	0.959	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C[5a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H){3|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	111.7495	3.053	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.9850	0.000	1	112.9850	0.000	1	112.9850	0.000	1	111.7495	3.053	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	114.8655	0.282	2	114.8655	0.080	2	114.8655	0.080	2	114.8655	0.080	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	108.7890	0.095	2	108.7890	0.009	2	109.1312	0.172	4	108.9026	0.390	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<4>,2|O<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	109.4735	0.193	2	109.4735	0.037	2	109.1312	0.172	4	108.9026	0.390	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	108.9026	0.390	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,6,6]C[5,5,3x6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|O<1>,2|C<3>,2|N<3>}	H(C[5,6,6]C[5,5,3x6]C[6,6a]C[5,6])	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	111.4287	2.898	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	111.4287	2.898	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2	H(C[5,6,6]C[5,6,6]N[5,5,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2{1|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]N[5,5,6]C[5,6])	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	111.4287	2.898	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	112.1120	0.000	1	112.1120	0.000	1	110.9620	2.645	2	109.1225	5.394	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H){1|N<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	109.8120	0.000	1	109.8120	0.000	1	110.9620	2.645	2	109.1225	5.394	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	107.2830	0.027	2	107.2830	0.001	2	107.2830	0.001	2	109.1225	5.394	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	110.0450	0.044	2	110.0450	0.002	2	110.0450	0.002	2	110.0450	0.002	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.3940	0.544	2	108.3940	0.296	2	108.3940	0.296	2	108.3940	0.296	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.3612	0.068	4	111.3612	0.005	4	111.4163	0.012	6	111.2975	0.037	11	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.4610	0.000	1	111.5265	0.009	2	111.4163	0.012	6	111.2975	0.037	11	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	H(C[5,6,6]C[3x6]C[5,6]O[5,6])	111.5920	0.000	1	111.5265	0.009	2	111.4163	0.012	6	111.2975	0.037	11	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	111.2975	0.037	11	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2{4|H<1>,6|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	111.3330	0.095	2	111.3330	0.009	2	111.3330	0.009	2	111.2975	0.037	11	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	110.9420	0.000	1	111.0100	0.009	2	111.0100	0.009	2	111.2975	0.037	11	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	111.0780	0.000	1	111.0100	0.009	2	111.0100	0.009	2	111.2975	0.037	11	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|Si<4>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	111.5085	0.262	2	111.5085	0.069	2	111.5085	0.069	2	110.6369	3.459	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.2470	0.000	1	112.2090	0.003	2	112.2563	0.008	3	110.6369	3.459	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.1710	0.000	1	112.2090	0.003	2	112.2563	0.008	3	110.6369	3.459	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.3510	0.000	1	112.3510	0.000	1	112.2563	0.008	3	110.6369	3.459	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H){1|H<1>,2|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	108.6310	0.000	1	108.6310	0.000	1	108.3465	0.162	2	110.6369	3.459	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H){1|H<1>,2|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	108.0620	0.000	1	108.0620	0.000	1	108.3465	0.162	2	110.6369	3.459	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,2|C<4>,2|F<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	110.6369	3.459	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6,6]C[5,4x6]C[5,6]O[6])	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[5,6]O[6])	112.5520	0.400	2	112.5520	0.160	2	112.5520	0.160	2	112.5520	0.160	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H)	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,6]C[6,6]O[5,6])	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:2:3:2:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H){6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.6050	0.146	2	111.6050	0.021	2	111.6050	0.021	2	109.1683	4.050	6	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	H(C[5,6,6]C[5,6]2N[6,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]2N[6,6])	107.2630	0.045	2	107.2630	0.002	2	107.2630	0.002	2	109.1683	4.050	6	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	109.1683	4.050	6	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	109.1683	4.050	6	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.8410	0.000	1	108.8410	0.000	1	108.9523	0.113	3	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.6860	0.000	1	108.6860	0.000	1	108.9523	0.113	3	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.3300	0.000	1	109.3300	0.000	1	108.9523	0.113	3	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]N[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]N[6])	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>}	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.5653	0.116	3	112.5653	0.013	3	112.7298	0.057	5	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.9780	0.000	1	112.9765	0.000	2	112.7298	0.057	5	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{4|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.9750	0.000	1	112.9765	0.000	2	112.7298	0.057	5	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H){6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	112.8220	0.000	1	112.8220	0.000	1	111.9887	0.531	3	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.5720	0.144	2	111.5720	0.021	2	111.9887	0.531	3	111.3154	3.058	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	105.1270	0.000	1	105.1270	0.000	1	105.1270	0.000	1	105.1270	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	106.7630	0.000	1	106.7630	0.000	1	107.2125	0.404	2	107.6170	0.830	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.6620	0.000	1	107.6620	0.000	1	107.2125	0.404	2	107.6170	0.830	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6]2N[6,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2N[6,6])	107.2590	0.081	2	107.2590	0.006	2	107.2590	0.006	2	107.6170	0.830	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	107.6170	0.830	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.9270	0.335	2	104.9270	0.112	2	104.9270	0.112	2	104.9270	0.112	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H)	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[3x6]C[5,6]N[5,6])	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[3x6]C[5,6]N[5,6])	108.3695	0.052	2	108.3695	0.003	2	108.3695	0.003	2	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.8760	0.000	1	109.8725	0.229	11	109.9456	0.175	16	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.0436	0.317	5	109.8725	0.229	11	109.9456	0.175	16	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.7006	0.632	5	109.8725	0.229	11	109.9456	0.175	16	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.2345	0.136	2	110.1066	0.038	5	109.9456	0.175	16	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.9085	0.042	2	110.1066	0.038	5	109.9456	0.175	16	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.2470	0.000	1	110.1066	0.038	5	109.9456	0.175	16	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H)	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	112.5643	0.062	3	112.5643	0.004	3	112.5643	0.004	3	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.7200	0.000	1	107.7200	0.000	1	107.7847	0.035	7	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.6070	0.028	2	107.6070	0.001	2	107.7847	0.035	7	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.8897	0.178	4	107.8897	0.032	4	107.7847	0.035	7	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H){3|C<3>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	109.5083	2.206	33	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]N[5,6])	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	94.3234	0.000	1	94.3234	0.000	1	94.3234	0.000	1	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CC)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CC)(CH3){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.4200	0.000	1	110.4200	0.000	1	109.3060	1.872	8	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.2050	0.000	1	108.9168	2.328	5	109.3060	1.872	8	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|S<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|S<1>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.1950	0.000	1	108.9168	2.328	5	109.3060	1.872	8	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.6090	0.000	1	108.9168	2.328	5	109.3060	1.872	8	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	107.7875	1.836	2	108.9168	2.328	5	109.3060	1.872	8	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	108.8700	0.000	1	108.8700	0.000	1	109.3060	1.872	8	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CC)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CC)(CH3){2|C<4>,2|O<1>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.5740	0.000	1	110.5740	0.000	1	109.3060	1.872	8	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.4670	0.000	1	110.5163	0.015	3	110.5163	0.015	3	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.5410	0.161	2	110.5163	0.015	3	110.5163	0.015	3	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	108.4133	19.309	13	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	109.9930	0.000	1	109.9930	0.000	1	110.2600	0.143	2	110.2600	0.143	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5,6])	110.5270	0.000	1	110.5270	0.000	1	110.2600	0.143	2	110.2600	0.143	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	107.1389	6.399	7	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5,6])	106.3862	1.709	6	106.3862	2.920	6	106.3862	2.920	6	107.1389	6.399	7	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.7755	0.651	2	108.7755	0.424	2	108.7755	0.424	2	108.7755	0.424	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	113.2270	0.000	2	113.2270	0.000	2	113.2270	0.000	2	113.2270	0.000	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	103.3480	0.000	1	103.3480	0.000	1	103.3480	0.000	1	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5a,6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	111.0063	0.115	3	111.0063	0.013	3	111.0063	0.013	3	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.7565	0.544	2	108.7565	0.296	2	108.7565	0.296	2	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	110.8970	0.007	2	110.8970	0.000	2	110.8970	0.000	2	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.5205	0.040	2	109.5205	0.002	2	109.2769	0.085	13	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.7680	0.000	1	108.7680	0.000	1	109.2769	0.085	13	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.5790	0.000	1	109.2791	0.071	10	109.2769	0.085	13	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.2481	0.277	8	109.2791	0.071	10	109.2769	0.085	13	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.2270	0.000	1	109.2791	0.071	10	109.2769	0.085	13	109.4001	2.588	23	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.1810	0.000	1	108.1810	0.000	1	107.0430	2.590	2	108.2308	6.863	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	105.9050	0.000	1	105.9050	0.000	1	107.0430	2.590	2	108.2308	6.863	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.9040	0.000	1	111.9040	0.000	1	109.4185	12.355	2	108.2308	6.863	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H){1|Si<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	106.9330	0.000	1	106.9330	0.000	1	109.4185	12.355	2	108.2308	6.863	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){5|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	109.5067	4.842	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5a,6]-3:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	109.5067	4.842	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	109.5067	4.842	3	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	109.0000	0.074	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.0000	0.074	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,6]C[6])	111.8990	0.000	1	111.8990	0.000	1	111.8990	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2	H(C[5,6,6]C[3x6]C[5,6]2)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2{3|C<4>,6|H<1>}	H(C[5,6,6]C[3x6]C[5,6]2)	112.0140	0.000	1	112.0140	0.000	1	112.0185	0.000	2	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2	H(C[5,6,6]C[3x6]C[5,6]2)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,6,6]C[3x6]C[5,6]2)	112.0230	0.000	1	112.0230	0.000	1	112.0185	0.000	2	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	H(C[5,6,6]C[4,5,3x6]C[5,6]2)	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[4,5,3x6]C[5,6]2)	112.2365	0.035	2	112.2365	0.001	2	112.2327	0.002	4	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	H(C[5,6,6]C[4,5,3x6]C[5,6]2)	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[4,5,3x6]C[5,6]2)	112.2290	0.058	2	112.2290	0.003	2	112.2327	0.002	4	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2	H(C[5,6,6]C[4,6,6]C[5,6]2)	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5,6,6]C[4,6,6]C[5,6]2)	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	113.9145	0.821	2	113.9145	0.674	2	112.7643	2.078	4	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.9800	0.000	1	111.9800	0.000	1	112.7643	2.078	4	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.2480	0.000	1	111.2480	0.000	1	112.7643	2.078	4	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.1150	0.000	1	109.1150	0.000	1	109.2374	1.167	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.3540	0.089	2	108.3540	0.008	2	109.2374	1.167	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{2|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.3760	0.000	1	109.3760	0.000	1	109.2374	1.167	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	110.9880	0.000	1	110.9880	0.000	1	109.2374	1.167	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:S[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H)	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6]S[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]S[6])	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H){1|Pt<6>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)2(H)2{4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.8843	0.099	3	110.8843	0.010	3	110.8843	0.010	3	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<2>,3|C<4>}	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2{2|C<4>,8|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	115.2215	1.695	2	115.2215	2.873	2	115.2215	2.873	2	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.6540	0.000	1	111.6540	0.000	1	111.4166	0.815	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.7350	1.146	2	110.7350	1.312	2	111.4166	0.815	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,3|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.9795	0.575	2	111.9795	0.330	2	111.4166	0.815	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0880	0.000	1	112.0880	0.000	1	112.0508	0.010	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,1|S<4>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0415	0.113	4	112.0415	0.013	4	112.0508	0.010	5	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|N<2>,1|N<3>,2|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	115.2240	0.489	2	115.2240	0.239	2	113.6951	3.321	8	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	115.5300	0.413	2	115.5300	0.171	2	113.6951	3.321	8	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0132	0.197	4	112.0132	0.039	4	113.6951	3.321	8	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.4610	0.000	1	111.4425	0.001	2	111.4425	0.001	2	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.4240	0.000	1	111.4425	0.001	2	111.4425	0.001	2	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.1530	0.000	1	111.1530	0.000	1	111.1530	0.000	1	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](N[6,6]C[5,6,6]FeO)(C[5,6]C[5,5,6]HH)2(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2	H(C[5,6,6]C[5,6]2N[6,6])	C[5,6,6](N[6,6]C[5,6,6]FeO)(C[5,6]C[5,5,6]HH)2(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2{1|Fe<5>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2N[6,6])	112.4440	0.066	2	112.4440	0.004	2	112.4440	0.004	2	111.9803	2.813	50	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6,6]C[3,6,6]C[5,6]2)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6,6]C[3,6,6]C[5,6]2)	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	H(C[5,6,6]C[3x5,3x6]C[5,6]C[6])	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	H(C[5,6,6]C[3x5,3x6]C[5,6]C[6])	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	H(C[5,6,6]C[5,5,6,6]C[3,6]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3,6]C[5,6])	107.5565	0.293	2	107.5565	0.086	2	107.5565	0.086	2	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	98.4135	0.000	1	98.4135	0.000	1	98.4135	0.000	1	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.8990	0.014	2	110.8990	0.000	2	110.8887	0.000	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.8680	0.000	1	110.8680	0.000	1	110.8887	0.000	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	104.1350	0.000	1	104.5163	0.109	3	104.5163	0.109	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|O<2>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	104.7070	0.000	2	104.5163	0.109	3	104.5163	0.109	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	104.8147	0.962	3	104.8147	0.925	3	104.8147	0.925	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.8650	0.000	1	107.3260	0.581	2	107.3260	0.581	2	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	106.7870	0.000	1	107.3260	0.581	2	107.3260	0.581	2	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.7020	0.000	1	110.7020	0.000	1	109.5293	1.069	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.7490	0.000	1	108.7490	0.000	1	109.5293	1.069	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	109.1370	0.000	1	109.1370	0.000	1	109.5293	1.069	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.0780	0.000	1	107.0780	0.000	1	109.8276	0.812	12	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.6130	0.000	1	110.0775	0.069	11	109.8276	0.812	12	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.0240	0.204	10	110.0775	0.069	11	109.8276	0.812	12	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,7|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.7623	0.330	3	104.7623	0.109	3	104.7623	0.109	3	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.8050	0.000	1	108.8050	0.000	1	106.0300	6.617	6	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	103.1860	0.000	1	103.1860	0.000	1	106.0300	6.617	6	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.2015	0.023	2	104.2015	0.001	2	106.0300	6.617	6	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.2470	0.000	1	107.8930	3.667	2	106.0300	6.617	6	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	106.5390	0.000	1	107.8930	3.667	2	106.0300	6.617	6	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.9935	0.014	4	109.9935	0.000	4	109.9935	0.000	4	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.7733	0.309	3	109.5355	0.290	4	109.5355	0.290	4	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.8220	0.000	1	109.5355	0.290	4	109.5355	0.290	4	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.1513	0.251	3	110.1513	0.063	3	110.0963	0.076	11	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.2190	0.137	2	110.2190	0.019	2	110.0963	0.076	11	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.0910	0.000	1	110.1610	0.025	4	110.0963	0.076	11	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.1843	0.184	3	110.1610	0.025	4	110.0963	0.076	11	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.3970	0.000	1	109.3970	0.000	1	110.0963	0.076	11	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	H(C[5,6,6]C[5,6]2C[6,6])	110.1260	0.000	1	110.1260	0.000	1	110.0963	0.076	11	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	103.2020	0.000	1	103.2020	0.000	1	103.2020	0.000	1	108.3230	7.318	63	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	107.1180	0.000	1	107.1180	0.000	1	107.4775	0.258	2	107.5529	2.278	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6,6])	107.8370	0.000	1	107.8370	0.000	1	107.4775	0.258	2	107.5529	2.278	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-2:C-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]C[6]H)(CN)2	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]C[6]H)(CN)2{3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	107.5529	2.278	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	106.5795	0.200	4	106.5795	0.040	4	107.4466	3.789	5	107.5529	2.278	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.9150	0.000	1	110.9150	0.000	1	107.4466	3.789	5	107.5529	2.278	8	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6]C[6])	106.1760	0.663	2	106.1760	0.440	2	106.1760	0.440	2	106.1760	0.440	2	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3)	H(C[5,6,6]C[5,6,6]2C[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H){1|O<1>,2|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,6,6]2C[5,6])	108.1593	0.042	4	108.1593	0.002	4	108.1593	0.002	4	108.1593	0.002	4	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H)	H(C[5,6,6]C[4,6,6]C[5,6]2)	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[4,6,6]C[5,6]2)	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	H(C[5,6,6]C[5,4x6]C[5,6]C[6,6])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	H(C[5,6,6]C[5,4x6]C[5,6]C[6,6])	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.3630	0.000	1	111.3630	0.000	1	108.2505	4.337	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	107.1890	0.000	1	107.1890	0.000	1	108.2505	4.337	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.4400	0.000	1	107.2250	0.092	2	108.2505	4.337	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.0100	0.000	1	107.2250	0.092	2	108.2505	4.337	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	104.6785	0.042	2	104.6785	0.002	2	104.6785	0.002	2	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H){1|Si<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6,6]C[5,6]2C[6,6])	107.7847	0.288	3	107.7847	0.083	3	107.8773	0.090	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.1550	0.000	1	108.1550	0.000	1	107.8773	0.090	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.0800	0.000	1	107.8580	0.081	4	107.8580	0.081	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.7840	0.297	3	107.8580	0.081	4	107.8580	0.081	4	107.9748	3.093	21	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H){1|N<2>,1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	108.9734	2.011	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)2(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)2(C[6,6]C[6,6]HH)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.9714	0.134	10	108.9714	0.018	10	108.9714	0.018	10	108.9734	2.011	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	105.6700	0.000	1	105.6700	0.000	1	105.6700	0.000	1	108.9734	2.011	12	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[3,6,6]C[5,6]2)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	H(C[5,6,6]C[3,6,6]C[5,6]2)	106.7290	0.000	1	106.7290	0.000	1	106.7290	0.000	1	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	104.6725	0.037	2	104.6725	0.001	2	104.6725	0.001	2	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH){3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.7190	0.000	2	110.7190	0.000	2	110.7190	0.000	2	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.7757	0.323	3	109.7757	0.104	3	109.7757	0.104	3	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.4380	0.140	2	109.4380	0.020	2	108.7422	2.935	13	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.5790	0.000	1	108.6830	3.729	10	108.7422	2.935	13	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.0840	0.186	4	108.6830	3.729	10	108.7422	2.935	13	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.4195	0.245	4	108.6830	3.729	10	108.7422	2.935	13	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	103.2370	0.000	1	108.6830	3.729	10	108.7422	2.935	13	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	107.9420	0.000	1	107.9420	0.000	1	108.7422	2.935	13	108.7290	4.358	22	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])	111.1460	0.000	1	111.1460	0.000	1	111.1460	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	107.3190	0.113	4	107.3190	0.013	4	107.3190	0.013	4	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.8930	0.000	1	110.9095	0.001	2	110.9095	0.001	2	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.9260	0.000	1	110.9095	0.001	2	110.9095	0.001	2	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H){1|Pt<6>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H){4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.9123	0.102	4	110.9123	0.010	4	110.9123	0.010	4	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.4050	0.000	1	108.4050	0.000	1	108.4060	0.000	2	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.4070	0.000	1	108.4070	0.000	1	108.4060	0.000	2	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	102.5060	0.000	1	102.5060	0.000	1	106.2148	4.369	10	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	103.6425	0.043	2	103.6425	0.002	2	106.2148	4.369	10	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.3540	0.000	1	108.3540	0.000	1	106.2148	4.369	10	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.4450	0.000	1	107.2977	0.062	4	106.2148	4.369	10	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.3870	0.202	2	107.2977	0.062	4	106.2148	4.369	10	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	106.9720	0.000	1	107.2977	0.062	4	106.2148	4.369	10	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.4060	0.205	2	107.4060	0.042	2	106.2148	4.369	10	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.9825	0.016	4	109.9825	0.000	4	110.0589	0.064	14	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	109.3330	0.000	1	110.0895	0.089	10	110.0589	0.064	14	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	110.1645	0.139	2	110.0895	0.089	10	110.0589	0.064	14	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	110.2980	0.044	2	110.0895	0.089	10	110.0589	0.064	14	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<4>,4|H<1>,4|O<2>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	110.0950	0.000	1	110.0895	0.089	10	110.0589	0.064	14	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	110.1355	0.183	4	110.0895	0.089	10	110.0589	0.064	14	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	107.9920	0.000	1	107.9920	0.000	1	108.0375	0.004	2	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	108.0830	0.000	1	108.0830	0.000	1	108.0375	0.004	2	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.7525	0.547	2	108.7525	0.299	2	108.7525	0.299	2	108.8760	3.999	48	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	109.9892	2.196	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	109.9892	2.196	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	109.9892	2.196	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.7190	0.000	1	108.7190	0.000	1	110.3140	5.088	2	109.9892	2.196	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.9090	0.000	1	111.9090	0.000	1	110.3140	5.088	2	109.9892	2.196	5	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	103.3620	0.000	1	103.3620	0.000	1	103.3620	0.000	1	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	104.0580	0.000	1	104.4633	0.123	3	104.4633	0.123	3	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	H(C[5,6,6]C[5,6,6]C[5,6]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|O<2>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5,6]2)	104.6660	0.000	2	104.4633	0.123	3	104.4633	0.123	3	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6])	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2{5|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.7010	0.271	3	104.7010	0.074	3	104.7951	3.495	10	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	102.5050	0.000	1	102.5050	0.000	1	104.7951	3.495	10	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	103.6555	0.026	2	103.6555	0.001	2	104.7951	3.495	10	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	104.1555	0.080	2	104.1555	0.006	2	104.7951	3.495	10	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	107.8605	1.955	2	107.8605	3.823	2	104.7951	3.495	10	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.8720	0.016	2	110.8720	0.000	2	110.8720	0.000	2	106.0210	8.570	19	109.2908	6.439	447	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.1425	0.070	2	107.1425	0.005	2	107.1425	0.005	2	107.1425	0.005	2	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,3x6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[4,6,6]-4:O[5,6,6]-2:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H)	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2	H(C[5,6,6]C[4,6,6]O[5,6,6]C[5])	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H){1|C<4>,1|F<1>,2|H<1>}	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]C[4,6,6]O[5,6,6]C[5])	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,4x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H)	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2	H(C[5,6,6]C[5,4x6]O[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,4x6]O[6,6]C[5])	111.8740	0.000	1	111.8740	0.000	1	111.8740	0.000	1	111.8740	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2	H(C[5,6,6]C[5,3x6]O[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>,4|O<2>}	H(C[5,6,6]C[5,3x6]O[6,6]C[5])	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	111.1220	0.874	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.8450	0.000	1	111.8450	0.000	1	111.9290	0.014	2	111.1220	0.874	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.0130	0.000	1	112.0130	0.000	1	111.9290	0.014	2	111.1220	0.874	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	111.1220	0.874	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.6310	0.086	3	111.6310	0.007	3	111.6310	0.007	3	110.5820	4.406	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	110.5820	4.406	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.6845	0.066	11	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.8070	0.315	2	110.8070	0.099	2	110.6958	0.072	10	110.6845	0.066	11	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	111.3120	0.000	1	111.3120	0.000	1	110.6958	0.072	10	110.6845	0.066	11	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5900	0.000	1	110.5760	0.007	7	110.6958	0.072	10	110.6845	0.066	11	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,4|C<3>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5040	0.000	1	110.5760	0.007	7	110.6958	0.072	10	110.6845	0.066	11	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.5290	0.115	2	110.5760	0.007	7	110.6958	0.072	10	110.6845	0.066	11	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.6267	0.077	3	110.5760	0.007	7	110.6958	0.072	10	110.6845	0.066	11	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.4985	2.030	2	110.4985	4.121	2	110.4985	4.121	2	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.3600	0.000	1	109.3600	0.000	1	109.1250	0.110	2	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.8900	0.000	1	108.8900	0.000	1	109.1250	0.110	2	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.6110	0.511	2	109.6110	0.261	2	109.1042	0.312	5	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.7810	0.000	1	108.7663	0.065	3	109.1042	0.312	5	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.5040	0.000	1	108.7663	0.065	3	109.1042	0.312	5	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.0140	0.000	1	108.7663	0.065	3	109.1042	0.312	5	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.3860	0.000	1	111.3860	0.000	1	109.3757	2.437	9	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.4265	0.159	4	110.4265	0.025	4	109.3757	2.437	9	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.1420	0.000	1	108.3700	0.104	2	109.3757	2.437	9	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	108.5980	0.000	1	108.3700	0.104	2	109.3757	2.437	9	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2{2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.2745	0.047	2	107.2745	0.002	2	109.3757	2.437	9	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.0415	0.169	2	109.0415	0.029	2	109.0415	0.029	2	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.7340	0.000	1	109.7340	0.000	1	109.3850	0.244	2	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.0360	0.000	1	109.0360	0.000	1	109.3850	0.244	2	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.8810	0.000	1	107.8810	0.000	1	108.4297	0.315	3	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.7040	0.423	2	108.7040	0.179	2	108.4297	0.315	3	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1460	0.206	2	109.1460	0.043	2	109.5064	0.200	5	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.9770	0.089	2	109.9770	0.008	2	109.5064	0.200	5	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2860	0.000	1	109.2860	0.000	1	109.5064	0.200	5	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1630	0.144	2	109.1630	0.021	2	109.1089	0.100	8	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2{1|Ru<11>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.5450	0.014	2	109.5450	0.000	2	109.1089	0.100	8	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.9490	0.105	2	108.9490	0.011	2	109.1089	0.100	8	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.7785	0.107	2	108.7785	0.011	2	109.1089	0.100	8	109.3511	0.971	41	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.1505	0.028	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1680	0.000	1	109.1680	0.000	1	109.0947	0.023	3	109.1505	0.028	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.0580	0.197	2	109.0580	0.039	2	109.0947	0.023	3	109.1505	0.028	4	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:2:2:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,5]-3:C-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H){2|H<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5])	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5]){1|O<2>,4|C<3>,4|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6,6]C[3x6]C[5])	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	107.1385	1.376	2	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]N[5,3x6]C[6,6]C[5])	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	107.1385	1.376	2	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:C-4:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.3165	0.206	2	109.3165	0.042	2	109.3165	0.042	2	109.3165	0.042	2	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.3860	0.000	1	107.4735	0.015	2	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.5610	0.000	1	107.4735	0.015	2	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.0165	0.617	2	110.2603	0.369	3	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.7480	0.000	1	110.2603	0.369	3	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.9850	0.000	1	107.9850	0.000	1	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){1|Br<1>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.2020	0.000	1	109.3315	0.034	2	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.4610	0.000	1	109.3315	0.034	2	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	110.1420	0.000	1	110.0025	0.039	2	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.8630	0.000	1	110.0025	0.039	2	109.2381	1.438	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2	H(C[5,6,6]C[4,5,6,6]C[6,6]C[5])	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6,6]C[4,5,6,6]C[6,6]C[5])	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	108.3340	0.000	1	108.3340	0.000	1	110.4501	0.316	17	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[5])	110.5824	0.141	16	110.5824	0.020	16	110.4501	0.316	17	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.4520	0.079	4	111.4520	0.006	4	111.4355	0.007	6	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.4025	0.120	2	111.4025	0.014	2	111.4355	0.007	6	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1990	0.000	1	111.1990	0.000	1	111.1990	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:F-1:F-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2{4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	112.8260	1.516	2	112.8260	2.298	2	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.1595	0.227	2	110.1595	0.052	2	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.5490	0.000	1	107.5490	0.000	1	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.0230	0.000	1	107.0230	0.000	1	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.1230	0.000	1	107.1230	0.000	1	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.6970	0.000	1	107.5645	0.035	2	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.4320	0.000	1	107.5645	0.035	2	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.6030	0.000	1	107.6030	0.000	1	109.0398	5.549	10	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<4>,4|O<2>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2{2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])	107.9320	0.000	1	107.9320	0.000	1	107.9320	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,6,6]C[5,5,6,6]C[6,6]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[6,6]C[5])	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.9710	0.605	4	108.9710	0.366	4	108.9528	0.237	6	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	109.1180	0.000	1	109.1180	0.000	1	108.9528	0.237	6	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.7150	0.000	1	108.7150	0.000	1	108.9528	0.237	6	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.4350	0.000	1	108.2714	0.017	8	108.2470	0.020	9	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.2480	0.122	7	108.2714	0.017	8	108.2470	0.020	9	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	108.0520	0.000	1	108.0520	0.000	1	108.2470	0.020	9	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2{3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6,6]C[5x6]C[5])	104.5780	0.000	1	104.5780	0.000	1	104.5780	0.000	1	109.6119	2.534	67	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	108.3280	0.000	1	108.3280	0.000	1	107.1180	2.928	2	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	105.9080	0.000	1	105.9080	0.000	1	107.1180	2.928	2	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[3x6]C[5])	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.6968	0.248	4	110.7607	0.047	6	110.8069	0.054	7	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.8840	0.000	1	110.7607	0.047	6	110.8069	0.054	7	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	110.8930	0.000	1	110.7607	0.047	6	110.8069	0.054	7	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	111.0840	0.000	1	111.0840	0.000	1	110.8069	0.054	7	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.9960	0.000	1	106.3930	0.727	2	106.6230	0.522	3	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.7900	0.000	1	106.3930	0.727	2	106.6230	0.522	3	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	107.0830	0.000	1	107.0830	0.000	1	106.6230	0.522	3	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	H(C[5,6,6]C[5,4x6]C[6,6]C[5])	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	113.4880	0.448	2	113.4880	0.201	2	113.4880	0.201	2	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:S-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H)	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	H(C[5,6,6]C[5,5,3x6]C[6,6]C[5])	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6]C[3x6]C[5])	106.3487	0.846	4	106.3487	0.716	4	106.3487	0.716	4	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	109.5794	7.405	23	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.6210	0.522	2	106.6210	0.272	2	106.6210	0.272	2	106.6210	0.272	2	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.2360	0.000	2	105.2360	0.000	2	105.7752	0.488	6	105.8009	0.575	8	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.6900	0.000	1	105.8980	1.255	2	105.7752	0.488	6	105.8009	0.575	8	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.1060	0.000	1	105.8980	1.255	2	105.7752	0.488	6	105.8009	0.575	8	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>,7|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	105.8550	0.000	1	106.1915	0.226	2	105.7752	0.488	6	105.8009	0.575	8	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.5280	0.000	1	106.1915	0.226	2	105.7752	0.488	6	105.8009	0.575	8	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]O[5]CC)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]O[5]CC)(CH3)2{2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	104.9930	0.000	1	104.9930	0.000	1	105.8780	1.566	2	105.8009	0.575	8	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	106.7630	0.000	1	106.7630	0.000	1	105.8780	1.566	2	105.8009	0.575	8	109.4684	3.701	178	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[3x5,6,6]C[5,6]H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[3x5,6,6]C[5,6]H)	110.8880	0.023	2	110.8880	0.001	2	110.8880	0.001	2	110.8880	0.001	2	108.7632	12.601	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2	C[3x5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[3x5,6]C[3x5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]O)	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,7|C<4>}	C[3x5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[3x5,6]C[3x5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	112.1160	0.000	1	112.1160	0.000	1	112.1160	0.000	1	112.1160	0.000	1	108.7632	12.601	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H)	H(C[5,6]C[3x5,6,6]C[5,6]C[6a])	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[3x5,6,6]C[5,6]C[6a])	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	108.7632	12.601	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[5,5,6,6]-4:C[4,5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[3x5,3x6]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH)	H(C[5,6]C[3x5,6,6]C[5,5,6,6]C[4,5,6])	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H){8|H<1>,9|C<4>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,6]C[5,5,6,6]C[4,5,6]H)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]HH){6|C<4>,8|H<1>}	H(C[5,6]C[3x5,6,6]C[5,5,6,6]C[4,5,6])	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	108.7632	12.601	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:2:2:1:	4:4:4:4:	4:	C[3x5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H)	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2	H(C[5,6]C[3x5,6]O[5]O[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H){2|H<1>,2|O<1>,6|C<4>}	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2{1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,6]C[3x5,6]O[5]O[6])	110.4625	0.022	2	110.4625	0.000	2	110.4625	0.000	2	110.4625	0.000	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:2:3:1:	4:4:3:4:	4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH)	H(C[5,6]C[3x5,6]S[5,6]C[6a])	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[3x5,6]S[5,6]C[6a])	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[3x5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]C)(H)2	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]C)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.8885	0.424	2	111.8885	0.179	2	111.8885	0.179	2	111.8885	0.179	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:3:2:1:	4:4:2:3:	4:	C[3x5,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,6]C[3x5,6]N[5,6]O[6])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){2|C<3>,6|H<1>}	H(C[5,6]C[3x5,6]N[5,6]O[6])	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:3:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5a,6]N[5,6])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3x5,6]C[5a,6]N[5,6])	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[3x5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:N[5,5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H)	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2){1|O<2>,4|C<3>,8|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C)(C[6]C[6]2Ru)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[3x5,6]C[5,6]C[6])	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C)(C[6]C[6]2Ru)(H){5|C<4>,5|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H){1|Ru<11>,1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]C[6])	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O)	H(C[5,6]C[3x5,6]C[6,6a]C[5])	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O){1|O<1>,2|H<1>,5|C<3>}	H(C[5,6]C[3x5,6]C[6,6a]C[5])	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H)	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2	H(C[5,6]C[3x5,6]C[5,6a]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2{2|Br<1>,2|H<1>,7|C<3>}	H(C[5,6]C[3x5,6]C[5,6a]C[6])	109.7270	1.373	2	109.7270	1.886	2	109.7270	1.886	2	109.7270	1.886	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH)	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,1|S<4>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|Br<1>,2|O<1>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.1760	0.013	2	109.5925	6.788	4	109.5925	6.788	4	110.3521	3.572	8	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,1|S<4>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	108.0090	3.215	2	109.5925	6.788	4	109.5925	6.788	4	110.3521	3.572	8	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<4>,3|H<1>,5|C<3>}	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.1118	0.095	4	111.1118	0.009	4	111.1118	0.009	4	110.3521	3.572	8	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:N[5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C){3|C<3>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.7490	0.007	2	111.7490	0.000	2	111.7490	0.000	2	111.7490	0.000	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	H(C[5,6]C[3x5,6]C[5,6]Br)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|Br<1>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]Br)	111.0335	0.237	2	111.0335	0.056	2	111.0335	0.056	2	111.4644	0.125	11	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.6783	0.086	6	111.5496	0.122	7	111.5601	0.092	9	111.4644	0.125	11	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	110.7770	0.000	1	111.5496	0.122	7	111.5601	0.092	9	111.4644	0.125	11	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.5970	0.034	2	111.5970	0.001	2	111.5601	0.092	9	111.4644	0.125	11	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[3,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[3,5,6]C[5,5,6]C[3]2)(H)2	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)	H(C[5,6]C[3,5,6]C[3x5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[3,5,6]C[5,5,6]C[3]2)(H)2{3|Cl<1>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[3,5,6]C[3x5,6]H)	110.8680	2.738	4	110.8680	7.496	4	110.8680	7.496	4	110.8680	7.496	4	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3x5,6](C[3x5,6]C[5,6]2O[5])(C[5,6]C[5,6,6]HH)2(O[5]S[5])	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[3x5,6](C[3x5,6]C[5,6]2O[5])(C[5,6]C[5,6,6]HH)2(O[5]S[5]){1|C<4>,2|O<1>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	112.0454	0.052	5	112.0454	0.003	5	112.0454	0.003	5	111.8515	0.028	13	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O[5,5]-2:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.7304	0.056	8	111.7304	0.003	8	111.7304	0.003	8	111.8515	0.028	13	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]N[5]O)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]N[5]O){2|C<3>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	112.0165	0.218	2	112.0165	0.048	2	111.6520	0.295	4	111.6891	0.216	15	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]H){1|C<3>,2|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.2875	0.552	2	111.2875	0.305	2	111.6520	0.295	4	111.6891	0.216	15	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(N[5]C[5]N)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(N[5]C[5]N){1|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.7026	0.462	11	111.7026	0.213	11	111.7026	0.213	11	111.6891	0.216	15	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO)	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2{1|H<1>,2|O<2>,7|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	111.0547	0.145	4	111.0547	0.021	4	110.9857	0.025	6	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5,6]O[5]2)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5,6]O[5]2)(H)2{5|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	110.8475	0.052	2	110.8475	0.003	2	110.9857	0.025	6	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2	C[3x5,6](C[3x5,6]C[5,6,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[3x5,6](C[3x5,6]C[5,6,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH){3|C<4>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	111.6300	0.018	2	111.6300	0.000	2	111.8251	0.045	8	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3x5,6](C[3x5,6]C[5,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[3x5,6](C[3x5,6]C[5,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH){3|C<4>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	111.6280	0.004	2	111.6280	0.000	2	111.8251	0.045	8	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[3x5,6](C[3x5,6]C[5,6,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2{4|H<1>,6|C<4>}	C[3x5,6](C[3x5,6]C[5,6,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH){3|C<4>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	111.9840	0.033	2	111.9840	0.001	2	111.8251	0.045	8	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[3x5,6](C[3x5,6]C[5,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2{4|H<1>,6|C<4>}	C[3x5,6](C[3x5,6]C[5,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH){3|C<4>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	112.0585	0.005	2	112.0585	0.000	2	111.8251	0.045	8	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|C<4>,3|H<1>,3|O<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	110.5065	1.391	2	111.3820	1.838	4	111.3820	1.838	4	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|O<2>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	112.2575	0.716	2	111.3820	1.838	4	111.3820	1.838	4	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|C<4>,3|H<1>,3|O<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	107.9460	1.573	2	110.1965	7.594	4	110.1965	7.594	4	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|O<2>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	112.4470	0.221	2	110.1965	7.594	4	110.1965	7.594	4	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]C[5]2H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]C[5]2H){1|C<4>,1|S<1>,2|C<3>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3780	0.000	1	111.3780	0.000	1	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]CH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|H<1>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]CH){1|C<3>,2|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	110.9905	0.053	2	110.9905	0.003	2	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<3>,2|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3066	0.216	132	111.3135	0.044	142	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<4>,2|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.4100	0.006	2	111.3135	0.044	142	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|S<2>,2|O<1>,2|O<2>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.4055	0.054	4	111.3135	0.044	142	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|S<2>,2|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.4545	0.009	2	111.3135	0.044	142	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|Cl<1>,1|S<2>,2|O<1>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3455	0.009	2	111.3135	0.044	142	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<3>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<3>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.4590	0.075	2	111.3900	0.008	4	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|O<1>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3210	0.017	2	111.3900	0.008	4	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH){3|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.2165	0.225	8	111.2165	0.051	8	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	112.4605	0.293	2	112.4605	0.086	2	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]O)(C[5,6]C[5,6]HH)(C[5]C[5]CH)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]O)(C[5,6]C[5,6]HH)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.8715	0.032	2	111.8715	0.001	2	111.3281	0.064	161	111.3151	0.257	183	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:2:1:	3:4:2:2:	4:	C[3x5,6]-4:C[5,6]-4:C-2:H-1:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	H(C[5,6]C[3x5,6]C[5,6]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H){2|C<3>,2|C<4>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|C<3>,1|O<1>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6]C)	109.9910	0.300	2	109.9910	0.090	2	109.9910	0.090	2	109.9910	0.090	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:N[5,5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5])	H(C[5,6]C[3x5,6]C[5,5,6]O)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]O)	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[3x5,6]C[5,5,6]O)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H){4|H<1>,5|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H){2|C<4>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]O)	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	109.5560	6.875	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H)	H(C[5,6]C[3x5,6]C[5,6,6]O)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]O)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	109.5560	6.875	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:3:1:	3:4:2:2:	4:	C[3x5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	H(C[5,6]C[3x5,6]C[5,6]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H){2|C<3>,2|C<4>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]C)	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	109.3740	0.233	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:3:1:	3:4:2:2:	4:	C[3x5,6]-4:C[5,6]-4:N-3:H-1:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5])	H(C[5,6]C[3x5,6]C[5,6]N)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){2|C<4>,4|C<3>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6]N)	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	109.3740	0.233	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C[5,5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,8|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	105.1310	0.000	1	105.1310	0.000	1	105.1310	0.000	1	107.3222	1.974	5	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2){11|H<1>,1|C<4>,2|O<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	108.2710	0.680	2	108.2710	0.463	2	108.2710	0.463	2	107.3222	1.974	5	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2){11|H<1>,1|C<4>,2|O<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	107.4690	0.888	2	107.4690	0.789	2	107.4690	0.789	2	107.3222	1.974	5	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2{11|H<1>,1|C<4>,1|O<2>,2|O<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	107.6720	1.384	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2{11|H<1>,1|C<4>,1|O<2>,2|O<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	107.6720	1.384	2	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[3x5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	111.1257	1.074	264	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5]	H	4:3:4:1:	4:4:4:2:	4:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[3x5]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[3x5](C[5,6]C[6,6a]C[5,6]H)(C[3x5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[6,6a]C[3x5]C[5,6])	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[3x5](C[5,6]C[6,6a]C[5,6]H)(C[3x5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[6,6a]C[3x5]C[5,6])	108.8005	1.149	2	108.8005	1.320	2	108.8005	1.320	2	108.8005	1.320	2	108.8528	0.891	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5]	H	4:4:3:1:	4:4:3:2:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,6|C<4>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.7950	0.000	1	109.8085	0.000	2	109.8085	0.000	2	109.8085	0.000	2	108.8528	0.891	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5]	H	4:4:3:1:	4:4:3:2:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,5|C<4>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.8220	0.000	1	109.8085	0.000	2	109.8085	0.000	2	109.8085	0.000	2	108.8528	0.891	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5]	H	4:4:3:1:	4:4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>,6|C<4>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	108.7825	0.738	2	108.7825	0.544	2	109.0503	0.487	3	109.0503	0.487	3	108.8528	0.891	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5]	H	4:4:3:1:	4:4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,6|C<4>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.5860	0.000	1	109.5860	0.000	1	109.0503	0.487	3	109.0503	0.487	3	108.8528	0.891	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[3x5]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,6|C<4>,6|H<1>}	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	107.6530	0.085	2	107.6530	0.007	2	107.6530	0.007	2	107.6530	0.007	2	108.8528	0.891	9	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[4x5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	C[4x5,6,6](C[3x5,6,6]C[5,5,6,6]C[5,6,6]H)2(C[5,6]C[5,6]HH)2	H(C[5,6]C[4x5,6,6]C[5,6]H)	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{4|C<4>,5|H<1>}	C[4x5,6,6](C[3x5,6,6]C[5,5,6,6]C[5,6,6]H)2(C[5,6]C[5,6]HH)2{1|C<4>,9|H<1>}	H(C[5,6]C[4x5,6,6]C[5,6]H)	111.5108	2.482	4	111.5108	6.162	4	111.5108	6.162	4	111.5108	6.162	4	111.5108	6.162	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:3:1:	3:3:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6a]-3:C[3x6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:3:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	110.1850	0.000	1	111.5337	2.299	4	110.8031	1.427	10	110.8031	1.427	10	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:3:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	111.9833	1.495	3	111.5337	2.299	4	110.8031	1.427	10	110.8031	1.427	10	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:3:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.1900	0.000	1	110.3160	0.477	6	110.8031	1.427	10	110.8031	1.427	10	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:3:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	110.5412	0.464	5	110.3160	0.477	6	110.8031	1.427	10	110.8031	1.427	10	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:4:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	108.9390	0.000	1	108.9390	0.000	1	110.1147	4.421	20	110.1147	4.421	20	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:4:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.3190	0.000	1	109.3190	0.000	1	110.1147	4.421	20	110.1147	4.421	20	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:4:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	110.2697	1.750	9	110.2726	5.065	17	110.1147	4.421	20	110.1147	4.421	20	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:4:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	110.2759	2.842	8	110.2726	5.065	17	110.1147	4.421	20	110.1147	4.421	20	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:2:4:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.4020	0.000	1	109.4020	0.000	1	110.1147	4.421	20	110.1147	4.421	20	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	H(C[5,6]C[5,3x6]C[6,6a]O[5])	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[6,6a]O[5])	110.4125	1.596	2	110.4125	2.547	2	110.4125	2.547	2	109.2428	2.694	4	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[4x6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	108.0730	0.249	2	108.0730	0.062	2	108.0730	0.062	2	109.2428	2.694	4	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:3:4:1:	3:3:4:3:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,3x6]P[3,5,6]Si)	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,3x6]P[3,5,6]Si)	106.4140	0.000	1	106.4140	0.000	1	106.1030	0.151	3	106.1030	0.151	3	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,3x6]P[3,5,6]Si)	105.9475	0.397	2	105.9475	0.157	2	106.1030	0.151	3	106.1030	0.151	3	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.5272	1.190	6	111.5272	1.417	6	111.5272	1.417	6	111.5272	1.417	6	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.8335	0.008	2	111.8335	0.000	2	111.8335	0.000	2	111.8335	0.000	2	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,3x6]-4:C[4,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2	H(C[5,6]C[4,5,6]C[5,3x6]H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2{2|H<1>,3|C<3>,5|C<4>}	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2{4|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[4,5,6]C[5,3x6]H)	111.4935	3.283	8	111.4935	10.779	8	111.4935	10.779	8	111.4935	10.779	8	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9405	0.033	4	110.9120	0.003	7	111.3368	0.908	13	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,5|C<4>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.8740	0.061	3	110.9120	0.003	7	111.3368	0.908	13	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	112.2752	1.389	4	112.2752	1.928	4	111.3368	0.908	13	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9465	0.012	2	110.9465	0.000	2	111.3368	0.908	13	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<4>,3|H<1>,5|C<4>}	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){5|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3760	0.010	2	111.3760	0.000	2	111.3760	0.000	2	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2{4|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.7585	0.026	2	111.7585	0.001	2	111.7585	0.001	2	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.1477	0.094	3	111.1477	0.009	3	111.0467	0.015	9	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9962	0.105	6	110.9962	0.011	6	111.0467	0.015	9	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9472	1.444	6	110.9472	2.085	6	110.9472	2.085	6	111.2109	0.741	32	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.6420	0.078	8	111.6420	0.006	8	111.6420	0.006	8	111.6420	0.006	8	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.1715	0.032	2	111.1715	0.001	2	111.4680	0.023	12	111.1437	1.388	13	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.5700	0.010	2	111.5093	0.002	6	111.4680	0.023	12	111.1437	1.388	13	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.4810	0.031	2	111.5093	0.002	6	111.4680	0.023	12	111.1437	1.388	13	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.4770	0.007	2	111.5093	0.002	6	111.4680	0.023	12	111.1437	1.388	13	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.5010	0.083	2	111.5542	0.007	4	111.4680	0.023	12	111.1437	1.388	13	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.6075	0.047	2	111.5542	0.007	4	111.4680	0.023	12	111.1437	1.388	13	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,6]-4:Br-1:H-1:	C[3x6]-4:C[5,6]-4:C[3x6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H)	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O)	H(C[5,6]C[5,3x6]C[5,6]Br)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,6]Br)	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	111.1437	1.388	13	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	110.7400	0.000	1	110.7400	0.000	1	110.9788	0.051	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	110.7270	0.008	2	110.7270	0.000	2	110.9788	0.051	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	111.1390	0.028	2	111.1390	0.001	2	110.9788	0.051	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	111.2610	0.011	2	111.2610	0.000	2	110.9788	0.051	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	110.9075	0.005	2	110.9075	0.000	2	110.9788	0.051	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3935	0.018	2	111.3968	0.001	5	111.4310	0.006	15	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3990	0.049	3	111.3968	0.001	5	111.4310	0.006	15	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.5198	0.025	4	111.5198	0.001	4	111.4310	0.006	15	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3960	0.000	1	111.3512	0.002	4	111.4310	0.006	15	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3363	0.036	3	111.3512	0.002	4	111.4310	0.006	15	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.4985	0.067	2	111.4985	0.005	2	111.4310	0.006	15	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.6940	0.066	2	111.6883	0.004	7	111.6752	0.004	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.6417	0.040	3	111.6883	0.004	7	111.6752	0.004	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.7525	0.052	2	111.6883	0.004	7	111.6752	0.004	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.6295	0.015	2	111.6295	0.000	2	111.6752	0.004	9	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.7495	0.006	2	111.7495	0.000	2	111.7495	0.000	2	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.8440	0.021	2	111.8440	0.000	2	111.8440	0.000	2	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C){2|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]N[3,5,6]H)	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]N[3,5,6]H)	111.0360	0.021	2	111.0360	0.000	2	111.0360	0.000	2	111.4090	0.098	40	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O[5])	109.2940	0.000	1	109.2890	0.004	3	109.2890	0.004	3	109.2890	0.004	3	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O[5])	109.2865	0.087	2	109.2890	0.004	3	109.2890	0.004	3	109.2890	0.004	3	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,3x6]-4:C[5]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H)	H(C[5,6]C[5,3x6]C[5]O[6])	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,3x6]C[5]O[6])	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.0170	0.194	2	109.0170	0.038	2	109.0170	0.038	2	109.0170	0.038	2	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	112.4090	0.000	1	112.4090	0.000	1	112.1370	3.064	6	112.1370	3.064	6	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	113.2215	2.921	2	112.0826	3.808	5	112.1370	3.064	6	112.1370	3.064	6	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	110.9600	1.259	2	112.0826	3.808	5	112.1370	3.064	6	112.1370	3.064	6	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	112.0500	0.000	1	112.0826	3.808	5	112.1370	3.064	6	112.1370	3.064	6	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H)	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH)	H(C[5,6]C[3,5,6]C[5,3x6]C[6a])	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]C[6a])	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,6,6]N[6])	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]N[6])	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	108.9120	4.118	2	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,3x6]C[5]C[6])	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.9120	4.118	2	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5]C[6])	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O[6,6]-2:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H)	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	H(C[5,6]C[5,3x6]C[5,6]C[6])	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,7|C<4>}	H(C[5,6]C[5,3x6]C[5,6]C[6])	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H){1|O<2>,2|O<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	H(C[5,6]C[5,3x6]C[5]C[6])	106.4845	0.192	2	106.4845	0.037	2	106.4845	0.037	2	106.4845	0.037	2	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	H(C[5,6]C[5,3x6]C[5]C[6])	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,3x6]C[5,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,6]C[5])	104.8720	0.000	1	104.8720	0.000	1	104.8720	0.000	1	104.8720	0.000	1	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.4615	0.206	4	106.4615	0.042	4	106.9514	0.368	16	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.3520	0.000	1	106.9823	0.111	10	106.9514	0.368	16	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	107.1397	0.346	4	106.9823	0.111	10	106.9514	0.368	16	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.9005	0.053	4	106.9823	0.111	10	106.9514	0.368	16	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<4>,4|H<1>,4|O<2>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	107.3100	0.000	1	106.9823	0.111	10	106.9514	0.368	16	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	108.7930	0.000	1	108.7930	0.000	1	106.9514	0.368	16	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.7610	0.000	1	106.7610	0.000	1	106.9514	0.368	16	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[6,6]C[5])	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,5|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[6,6]C[5])	107.5097	0.258	3	107.5097	0.066	3	107.5097	0.066	3	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	105.8020	0.000	1	105.8020	0.000	1	106.1830	0.290	2	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.5640	0.000	1	106.5640	0.000	1	106.1830	0.290	2	106.9580	0.403	21	110.3579	4.326	191	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,4x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,4x6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	H(C[5,6]C[5,4x6]C[5]C[6])	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	H(C[5,6]C[5,4x6]C[5]C[6])	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,3x6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,3x6]-4:O[5,6]-2:O-2:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	H(C[5,6]C[5,5,3x6]O[5,6]O)	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H){2|H<1>,4|C<4>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,5,3x6]O[5,6]O)	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	110.3650	4.921	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,4x6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5])	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2{2|O<2>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	111.7095	0.015	2	111.7095	0.000	2	111.7095	0.000	2	111.7095	0.000	2	110.3650	4.921	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H)	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,5,3x6]C[5]C[6])	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,3x6]C[5]C[6])	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	110.3650	4.921	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	H(C[5,6]C[5,5,6,6]O[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<4>,1|N<3>,6|H<1>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	111.4175	0.047	2	111.4175	0.002	2	111.4175	0.002	2	111.4175	0.002	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]O[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	110.6705	0.032	2	110.6705	0.001	2	110.6705	0.001	2	110.6705	0.001	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH)	H(C[5,6]C[5,5,6,6]O[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	110.9310	0.035	3	110.9310	0.001	3	110.9310	0.001	3	110.9310	0.001	3	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,5,6,6]C[6]O[5])	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[6]O[5])	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	113.1250	3.541	2	113.1250	12.540	2	113.1250	12.540	2	113.1250	12.540	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[6])(C[5,6]C[5,5,3x6]O)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[6])(C[5,6]C[5,5,3x6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.4120	0.007	2	111.4120	0.000	2	111.4120	0.000	2	111.4120	0.000	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H)	H(C[5,6]C[5,5,6,6]C[5,6]O)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]O)	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[6,6a]O[5])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[6,6a]O[5])	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	111.9950	0.601	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]C[6])	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.9950	0.601	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.1715	0.015	2	111.1715	0.000	2	111.1715	0.000	2	111.1715	0.000	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8310	0.011	2	110.8310	0.000	2	110.8310	0.000	2	110.8310	0.000	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.2835	0.022	2	111.2835	0.000	2	111.2835	0.000	2	111.2835	0.000	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2{2|Cl<1>,2|C<4>,3|C<3>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.6095	0.057	2	111.6095	0.003	2	111.6095	0.003	2	111.6095	0.003	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]O[5,6]C[5])(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH)	H(C[5,6]C[5,5,6,6]2H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]O[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]2H)	112.0510	0.076	2	112.0510	0.006	2	112.0510	0.006	2	111.4155	0.117	10	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	111.2780	0.008	2	111.2780	0.000	2	111.2185	0.005	4	111.4155	0.117	10	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2{1|F<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	111.1590	0.028	2	111.1590	0.001	2	111.2185	0.005	4	111.4155	0.117	10	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH){1|C<3>,1|O<2>,8|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.3115	0.042	2	111.3115	0.002	2	111.2947	0.003	4	111.4155	0.117	10	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.2780	0.085	2	111.2780	0.007	2	111.2947	0.003	4	111.4155	0.117	10	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C){1|C<3>,1|N<3>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.4470	0.033	2	111.4470	0.001	2	111.4470	0.001	2	111.4470	0.001	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	111.1830	0.030	2	111.1830	0.001	2	111.1830	0.001	2	111.1830	0.001	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[4,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)2	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)2{4|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]HH)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	112.8070	4.154	2	112.8070	17.252	2	112.8070	17.252	2	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	108.4390	0.000	1	108.4390	0.000	1	108.7493	0.073	3	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	108.8730	0.000	1	108.8730	0.000	1	108.7493	0.073	3	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	108.9360	0.000	1	108.9360	0.000	1	108.7493	0.073	3	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	111.6032	0.034	6	111.6032	0.001	6	111.6032	0.001	6	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[5,6]HH)(H){4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.2585	1.747	2	110.2585	3.053	2	111.4663	3.633	4	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,6,6]H)(C[5,6,6]C[3x5,6,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	112.6740	1.418	2	112.6740	2.012	2	111.4663	3.633	4	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.6440	0.000	1	111.6440	0.000	1	110.8430	0.481	3	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[5,5,6,6](C[3x5,6]P[3x5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.4425	0.005	2	110.4425	0.000	2	110.8430	0.481	3	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[4x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[4x5,6]C[4,4x5,6]C[5,5,6]C)(C[5,6,6]C[4,5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.3520	0.011	2	110.3520	0.000	2	110.3520	0.000	2	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8735	0.043	2	110.8735	0.002	2	110.8735	0.002	2	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.0105	0.047	2	111.0105	0.002	2	111.0105	0.002	2	111.0145	2.391	24	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]O[5,6]C[5])(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O)	H(C[5,6]C[5,5,6,6]2H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]O[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,5,6,6]2H)	112.1100	0.008	2	112.1100	0.000	2	112.1100	0.000	2	111.4205	0.252	15	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	111.1113	0.100	7	111.1113	0.010	7	111.1113	0.010	7	111.4205	0.252	15	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,6,6]C[5,6,6]O[5,6]C)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,6,6]C[5,6,6]O[5,6]C)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	111.7220	0.041	2	111.7220	0.002	2	111.7220	0.002	2	111.4205	0.252	15	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	112.1085	0.043	2	112.1085	0.002	2	112.1085	0.002	2	111.4205	0.252	15	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:N[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH)	H(C[5,6]C[5,5,6,6]N[5,6]H)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2{3|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]N[5,6]H)	110.8235	0.101	2	110.8235	0.010	2	110.8235	0.010	2	111.4205	0.252	15	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.2250	2.649	2	110.2250	7.016	2	110.2250	7.016	2	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8120	0.034	2	110.8120	0.001	2	110.8120	0.001	2	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8265	0.032	2	110.8265	0.001	2	111.2313	0.492	3	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	112.0410	0.000	1	112.0410	0.000	1	111.2313	0.492	3	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.1680	0.022	3	111.1680	0.000	3	111.1680	0.000	3	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.9317	0.035	4	110.9317	0.001	4	110.9934	0.005	8	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.0735	0.033	2	111.0735	0.001	2	110.9934	0.005	8	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.0365	0.016	2	111.0365	0.000	2	110.9934	0.005	8	110.9566	0.560	18	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6,6]C[5,6]O[5])	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]O[5])	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[6]O[5])	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,9|H<1>}	H(C[5,6]C[5,5,6,6]C[6]O[5])	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:N[5,6]-3:O[6]-2:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6])	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O)	H(C[5,6]C[5,5,6,6]C[5,6]O)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]O)	112.0280	0.000	1	112.0280	0.000	1	112.0280	0.000	1	112.0280	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H){2|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	111.1555	9.667	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6,6]C[5]O[6])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H){1|O<2>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[5]O[6])	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	111.1555	9.667	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H)	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O)	H(C[5,6]C[5,5,6,6]C[6]N[5])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|C<4>,1|S<4>}	H(C[5,6]C[5,5,6,6]C[6]N[5])	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]C[5])	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]C[5])	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,5,6,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5,6]Si)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]Si)	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	107.9685	0.052	2	107.9685	0.003	2	107.9685	0.003	2	107.9685	0.003	2	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,5,6,6]-4:C[4,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H)	H(C[5,6]C[3x5,6,6]C[5,5,6,6]C[4,5,6])	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H){8|H<1>,9|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[3x5,6,6]C[4,5,6]H)(H){5|C<4>,7|H<1>}	H(C[5,6]C[3x5,6,6]C[5,5,6,6]C[4,5,6])	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.8310	0.000	1	108.6670	0.097	4	108.7520	0.109	5	108.7520	0.109	5	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.4665	0.356	2	108.6670	0.097	4	108.7520	0.109	5	108.7520	0.109	5	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,5|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.9040	0.000	1	108.6670	0.097	4	108.7520	0.109	5	108.7520	0.109	5	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO){10|H<1>,1|C<3>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	109.0920	0.000	1	109.0920	0.000	1	108.7520	0.109	5	108.7520	0.109	5	110.8894	2.035	113	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.0265	0.023	2	111.9314	0.008	5	111.9314	0.008	5	111.9314	0.008	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8680	0.035	3	111.9314	0.008	5	111.9314	0.008	5	111.9314	0.008	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	3:4:2:1:	4:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]S[5,6]H)	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]S[5,6]H)	111.0405	0.135	22	111.0405	0.018	22	111.0405	0.018	22	111.0405	0.018	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.2135	0.033	2	111.2135	0.001	2	111.2135	0.001	2	111.2135	0.001	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2{2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H){1|S<4>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.9190	0.660	2	111.9190	0.436	2	111.9190	0.436	2	111.9190	0.436	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.8122	0.842	6	111.6432	0.460	10	111.6432	0.460	10	111.5399	0.435	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.5635	0.062	2	111.6432	0.460	10	111.6432	0.460	10	111.5399	0.435	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.2160	0.208	2	111.6432	0.460	10	111.6432	0.460	10	111.5399	0.435	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]S[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]S[5,6]H)	111.0235	0.046	2	111.0235	0.002	2	111.0235	0.002	2	111.5399	0.435	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.2075	0.043	2	111.2075	0.002	2	111.3082	0.195	12	111.0928	0.188	20	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	112.0830	0.809	2	111.3283	0.236	10	111.3082	0.195	12	111.0928	0.188	20	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.1263	0.084	6	111.3283	0.236	10	111.3082	0.195	12	111.0928	0.188	20	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.1795	0.043	2	111.3283	0.236	10	111.3082	0.195	12	111.0928	0.188	20	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2{1|Ru<6>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3){1|Ru<6>}	H(C[5,6]C[5,5,6]O[5,6]H)	110.7975	0.072	4	110.7699	0.005	8	110.7699	0.005	8	111.0928	0.188	20	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2{1|Ru<9>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3){1|Ru<9>}	H(C[5,6]C[5,5,6]O[5,6]H)	110.7422	0.058	4	110.7699	0.005	8	110.7699	0.005	8	111.0928	0.188	20	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.2790	0.011	2	111.2790	0.000	2	111.2307	0.007	3	111.2307	0.007	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.1340	0.000	1	111.1340	0.000	1	111.2307	0.007	3	111.2307	0.007	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2	C[5,5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	114.4380	4.551	2	114.4380	20.711	2	114.4380	20.711	2	112.7228	10.827	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	111.0075	0.029	2	111.0075	0.001	2	111.0075	0.001	2	112.7228	10.827	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]O[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H){1|S<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]O[5]O[6])	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	110.2020	0.094	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[6]-2:N[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]N[5]O[6])	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	110.2020	0.094	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:2:1:	4:4:4:2:	4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]O[5]O[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]O[5]O[6])	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	3:4:4:1:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	110.7250	0.000	1	110.5120	0.091	2	110.5120	0.091	2	110.5120	0.091	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	3:4:4:1:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<2>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	110.2990	0.000	1	110.5120	0.091	2	110.5120	0.091	2	110.5120	0.091	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:2:2:3:	4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]O[5,6]C[6a])	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	109.5560	0.144	2	109.5560	0.021	2	109.5560	0.021	2	109.5560	0.021	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	109.6807	0.114	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	109.6807	0.114	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	109.3510	0.000	1	109.3510	0.000	1	109.6713	0.100	3	109.6807	0.114	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	109.6790	0.000	1	109.8315	0.047	2	109.6713	0.100	3	109.6807	0.114	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	109.9840	0.000	1	109.8315	0.047	2	109.6713	0.100	3	109.6807	0.114	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	109.6807	0.114	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:3:	4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]O[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]O[5,6]N[6a])	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[6a])	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,6]C[5,5,6]O[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6])	112.0940	0.000	1	112.0940	0.000	1	111.8200	0.150	2	111.8200	0.150	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,6]C[5,5,6]O[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]O[5,6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6])	111.5460	0.000	1	111.5460	0.000	1	111.8200	0.150	2	111.8200	0.150	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:4:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:4:1:	4:4:2:4:	4:	C[5,5,6]-4:O[5,6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO)	H(C[5,6]C[5,5,6]O[5,6]C)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C)	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2{1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.1705	0.026	2	110.1705	0.001	2	110.1705	0.001	2	110.1705	0.001	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2{1|Si<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H){1|Si<4>,1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4440	0.007	4	111.4440	0.000	4	111.4440	0.000	4	111.5421	0.031	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.8290	0.018	2	111.8290	0.000	2	111.8290	0.000	2	111.5421	0.031	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	P[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.4515	0.022	2	111.4515	0.000	2	111.4515	0.000	2	111.5421	0.031	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(H)2{1|Si<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3){1|Si<4>,1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3050	0.026	6	111.3050	0.001	6	111.3050	0.001	6	111.3050	0.001	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7616	0.115	7	111.7616	0.013	7	111.7616	0.013	7	111.6278	0.155	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]N[5,5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]H)	111.1370	0.031	2	111.1370	0.001	2	111.1370	0.001	2	111.6278	0.155	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.8906	0.026	5	111.8603	0.003	7	111.5932	0.315	9	111.6278	0.155	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.7845	0.025	2	111.8603	0.003	7	111.5932	0.315	9	111.6278	0.155	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	110.6585	0.507	2	110.6585	0.257	2	111.5932	0.315	9	111.6278	0.155	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.7170	0.045	4	111.7170	0.002	4	111.7170	0.002	4	111.6278	0.155	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH){1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7585	0.043	2	111.7585	0.002	2	111.7585	0.002	2	111.7585	0.002	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(N[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.7790	0.130	2	111.7790	0.017	2	111.7790	0.017	2	111.7790	0.017	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.5285	0.018	2	111.5285	0.000	2	111.5285	0.000	2	111.2512	0.103	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	110.9740	0.047	2	110.9740	0.002	2	110.9740	0.002	2	111.2512	0.103	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-3:Br-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H){1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]2Br)	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2{1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	113.2525	4.248	2	113.2525	18.042	2	113.2525	18.042	2	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:Br-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	108.5615	0.285	2	108.5615	0.081	2	108.5615	0.081	2	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3075	0.036	2	111.3075	0.001	2	111.3075	0.001	2	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2935	0.069	2	111.2935	0.005	2	111.3077	0.003	3	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3360	0.000	1	111.3360	0.000	1	111.3077	0.003	3	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5795	0.008	2	111.5795	0.000	2	111.5795	0.000	2	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0960	2.253	2	111.0960	5.075	2	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.9215	3.253	2	113.9215	10.585	2	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2{1|Sn<2>,1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]HH)2(H){3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9818	0.180	8	110.9818	0.033	8	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4010	0.058	2	111.7860	1.495	33	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8868	1.365	26	111.7860	1.495	33	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4158	0.067	5	111.7860	1.495	33	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5330	0.016	2	111.5425	0.002	4	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5520	0.081	2	111.5425	0.002	4	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2{1|Ga<4>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5245	0.042	2	111.5245	0.002	2	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3205	0.002	2	111.4380	0.080	185	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4523	0.065	3	111.4380	0.080	185	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4237	0.021	7	111.4380	0.080	185	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4396	0.293	173	111.4380	0.080	185	111.4918	0.409	236	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]N[5,6]H)	112.2400	0.962	3	112.2400	0.926	3	112.2400	0.926	3	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	110.5365	1.278	2	110.5365	1.633	2	110.5365	1.633	2	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.3030	0.033	3	111.3030	0.001	3	111.3030	0.001	3	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.2728	0.139	6	111.2728	0.019	6	111.2728	0.019	6	111.4626	0.591	262	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:C[5,6]-4:C[5,6]-4:O[5,5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(H)2	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7625	0.107	2	111.7625	0.011	2	111.7625	0.011	2	111.7625	0.011	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.0670	0.017	3	111.0351	1.848	8	111.0068	0.810	17	111.0153	0.520	26	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.0160	1.798	5	111.0351	1.848	8	111.0068	0.810	17	111.0153	0.520	26	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	110.9922	0.053	5	110.9817	0.002	9	111.0068	0.810	17	111.0153	0.520	26	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	110.9685	0.024	4	110.9817	0.002	9	111.0068	0.810	17	111.0153	0.520	26	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<4>,5|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.0680	0.040	2	111.0680	0.002	2	111.0314	0.003	9	111.0153	0.520	26	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>,6|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.0103	0.049	3	111.0210	0.004	7	111.0314	0.003	9	111.0153	0.520	26	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>,6|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.0290	0.072	4	111.0210	0.004	7	111.0314	0.003	9	111.0153	0.520	26	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]N[5]O[6])	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	3:4:3:4:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]N[5]O[6])	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:3:3:3:	4:	C[5,5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H)	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[6]S[5])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[6]S[5])	109.5190	0.024	2	109.5190	0.001	2	109.5190	0.001	2	109.5190	0.001	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:3:4:2:	4:	C[5,5,6]-4:N[5a,6]-3:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:N[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H)	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5])	H(C[5,6]C[5,5,6]N[5a,6]O[5])	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]N[5a,6]O[5])	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]O[5,6]N[5a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[5a])	109.5775	0.153	2	109.5775	0.024	2	109.5775	0.024	2	109.8740	0.276	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5,6]-4:N[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]N[6,6a]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,5,6]N[6,6a]O[5])	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	109.8740	0.276	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H)	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC)	H(C[5,6]C[5,5,6]C[5,6a]O[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC){1|O<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]O[6])	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	108.6000	0.038	2	108.6000	0.001	2	108.6000	0.001	2	108.7490	0.073	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.7490	0.073	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H)	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H){2|C<4>,7|H<1>}	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,5,6]N[5]O[6])	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	108.7490	0.073	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6])	H(C[5,6]C[5,5,6]C[6,6a]O[5])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	107.4765	1.934	2	107.4765	3.740	2	107.4765	3.740	2	107.4765	3.740	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	109.7290	0.000	1	109.7290	0.000	1	109.8255	0.019	2	109.8255	0.019	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	109.9220	0.000	1	109.9220	0.000	1	109.8255	0.019	2	109.8255	0.019	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.0290	0.000	1	110.0290	0.000	1	111.7460	5.896	2	111.7460	5.896	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H){1|O<1>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	113.4630	0.000	1	113.4630	0.000	1	111.7460	5.896	2	111.7460	5.896	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:3:4:1:	4:	C[5,5,6]-4:N[5,6]-3:N-3:H-1:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	H(C[5,6]C[5,5,6]N[5,6]N)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]N[5,6]N)	110.3545	0.176	4	110.3545	0.031	4	110.3545	0.031	4	110.3545	0.031	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)(H){5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	108.6390	0.096	2	108.6390	0.009	2	108.6390	0.009	2	109.0336	0.132	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	H(C[5,6]C[5,5,6]N[5,6]N[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]N[5,6]N[5])	109.2967	0.028	3	109.2967	0.001	3	109.2967	0.001	3	109.0336	0.132	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6,6a]N[5])	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[6,6a]N[5])	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	108.8725	0.741	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.8725	0.741	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.3083	0.835	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	109.3083	0.835	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	109.3083	0.835	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-3:N-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H)	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(NCC)(H){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:2:4:3:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.2153	0.169	3	110.2153	0.029	3	110.1908	0.021	4	110.1908	0.021	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:2:4:3:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.1170	0.000	1	110.1170	0.000	1	110.1908	0.021	4	110.1908	0.021	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5]N[6])	107.5300	0.096	2	107.5300	0.009	2	107.5300	0.009	2	108.2950	1.760	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	H(C[5,6]C[5,5,6]C[6,6a]N[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]N[5])	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	108.2950	1.760	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5]N[6])	111.4393	0.122	3	111.4393	0.015	3	111.4393	0.015	3	111.0194	0.367	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	111.0194	0.367	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	111.0194	0.367	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]N[5,5,6]C)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6])(H){1|N<2>,2|C<4>}	H(C[5,6]C[5,5,6]N[5,5,6]C)	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(COO)(H)	C[5,5,6](C[5,6]C[3,5,6]ReH)(C[5,6]C[5,6]CH)(N[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(COO)(H){1|Re<7>,1|C<3>,1|C<5>,1|H<1>}	C[5,5,6](C[5,6]C[3,5,6]ReH)(C[5,6]C[5,6]CH)(N[5,5]C[5,5,6])(CH3){2|C<3>,2|H<2>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	109.1045	0.531	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC){1|O<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	109.1045	0.531	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(COO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.9765	0.203	2	107.9765	0.041	2	107.9765	0.041	2	110.0719	3.667	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	112.9760	0.054	2	112.9760	0.003	2	112.9760	0.003	2	110.0719	3.667	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	110.0719	3.667	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]N[5,5,6]C)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]CH)(N[5,6]C[5,6]H)(H){1|N<2>,2|C<4>}	H(C[5,6]C[5,5,6]N[5,5,6]C)	110.6390	0.000	1	110.6390	0.000	1	110.6390	0.000	1	110.0719	3.667	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]N[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C)	109.7505	0.876	2	109.7505	0.768	2	109.8543	0.416	3	110.0719	3.667	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]N[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C)	110.0620	0.000	1	110.0620	0.000	1	109.8543	0.416	3	110.0719	3.667	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN){2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	112.2013	1.265	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5,6]-4:N[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:N[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H)	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5])	H(C[5,6]C[5,5,6]N[5a,6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H){1|Br<1>,1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]N[5a,6]N[5])	111.5520	0.000	2	111.5520	0.000	2	111.5520	0.000	2	112.2013	1.265	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO){1|S<4>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.3546	1.040	5	109.3546	1.082	5	109.3546	1.082	5	109.3546	1.082	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	112.7145	0.086	2	112.7145	0.007	2	112.7145	0.007	2	112.7145	0.007	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.3960	0.081	2	109.3960	0.006	2	109.3960	0.006	2	109.1820	1.827	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.9423	0.478	3	108.9423	0.228	3	108.9423	0.228	3	109.1820	1.827	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	109.1820	1.827	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	109.1820	1.827	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H)	H(C[5,6]C[5,5,6]N[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C[6])	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	109.1820	1.827	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3){2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	111.3067	0.795	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.8515	0.271	2	110.8515	0.073	2	110.8515	0.073	2	111.3067	0.795	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	111.3067	0.795	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	104.8400	0.000	1	104.8400	0.000	1	104.8400	0.000	1	104.8400	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	109.5270	0.000	1	109.0977	0.158	3	109.0977	0.158	3	109.0977	0.158	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	108.8830	0.201	2	109.0977	0.158	3	109.0977	0.158	3	109.0977	0.158	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:3:2:	4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-3:O[5,6]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6])	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:3:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.7810	0.175	2	110.7810	0.031	2	110.7810	0.031	2	110.7810	0.031	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5,5,6]-3:C-4:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3)	H(C[5,6]C[5,5,6]N[5,5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(C[5,6]C[5,5,6]N[5,5,6]C)	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	109.7775	0.053	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.7775	0.053	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4275	0.192	8	107.4275	0.037	8	107.4275	0.037	8	108.0304	3.304	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	108.0304	3.304	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.3010	0.000	1	108.3010	0.000	1	108.4955	0.076	2	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.6900	0.000	1	108.6900	0.000	1	108.4955	0.076	2	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.8130	0.281	4	108.2031	0.172	10	108.6935	0.632	15	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.4853	0.307	4	108.2031	0.172	10	108.6935	0.632	15	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.4660	0.000	1	108.2031	0.172	10	108.6935	0.632	15	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.3720	0.000	1	108.2031	0.172	10	108.6935	0.632	15	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.8170	0.000	1	109.8170	0.000	1	108.6935	0.632	15	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.6388	0.144	4	109.6388	0.021	4	108.6935	0.632	15	108.6702	0.562	17	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H)	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(SC[6a]OO)(H){2|C<4>,2|F<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]S)	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.7237	0.098	3	112.7237	0.010	3	112.7237	0.010	3	112.7237	0.010	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5])	H(C[5,6]C[5,5,6]N[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,7|H<1>}	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]C[6])	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:P-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	104.2760	0.000	1	104.3290	0.006	2	104.3290	0.006	2	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-3:P-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PC[6a]2W)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	104.3820	0.000	1	104.3290	0.006	2	104.3290	0.006	2	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	109.7980	0.000	1	109.7980	0.000	1	108.6445	2.661	2	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	107.4910	0.000	1	107.4910	0.000	1	108.6445	2.661	2	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6800	0.000	1	107.6800	0.000	1	107.4857	0.030	3	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3885	0.056	2	107.3885	0.003	2	107.4857	0.030	3	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7910	0.000	1	108.7910	0.000	1	108.7890	0.036	3	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.9780	0.000	1	108.9780	0.000	1	108.7890	0.036	3	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.5980	0.000	1	108.5980	0.000	1	108.7890	0.036	3	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H)	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[5a])	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	107.7654	3.225	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.8600	0.000	1	109.8600	0.000	1	109.7273	0.035	3	109.3072	2.352	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.5140	0.000	1	109.5140	0.000	1	109.7273	0.035	3	109.3072	2.352	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,8|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.8080	0.000	1	109.8080	0.000	1	109.7273	0.035	3	109.3072	2.352	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	109.3072	2.352	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{3|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.4065	1.218	2	109.6577	1.704	6	109.6577	1.704	6	109.3072	2.352	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{1|C<2>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.9785	1.358	2	109.6577	1.704	6	109.6577	1.704	6	109.3072	2.352	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{3|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.5880	2.202	2	109.6577	1.704	6	109.6577	1.704	6	109.3072	2.352	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	2:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]CC)(H)2	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]CC)(H)2{1|C<3>,2|C<4>}	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5370	0.020	2	111.5370	0.000	2	111.5370	0.000	2	111.5370	0.000	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1225	0.005	2	111.1225	0.000	2	111.2342	0.008	6	111.2342	0.008	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2900	0.033	4	111.2900	0.001	4	111.2342	0.008	6	111.2342	0.008	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9460	0.006	2	110.9460	0.000	2	110.6708	2.884	9	110.6708	2.884	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2{1|O<1>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3050	4.759	2	110.3050	22.646	2	110.6708	2.884	9	110.6708	2.884	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2{1|O<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7070	0.026	5	110.7070	0.001	5	110.6708	2.884	9	110.6708	2.884	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	B[5,5]-3:C[5,6]-3:C[5,6]-4:Si-4:	C[5,6]-4:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,3|C<3>}	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3){1|Si<4>,1|B<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3880	0.004	2	110.3880	0.000	2	110.3880	0.000	2	110.3880	0.000	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3940	0.057	2	111.3916	0.001	5	111.4298	0.002	14	111.4192	0.003	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3900	0.015	3	111.3916	0.001	5	111.4298	0.002	14	111.4192	0.003	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4050	0.021	2	111.4050	0.000	2	111.4298	0.002	14	111.4192	0.003	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4653	0.037	6	111.4653	0.001	6	111.4298	0.002	14	111.4192	0.003	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4570	0.000	1	111.4570	0.000	1	111.4298	0.002	14	111.4192	0.003	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3450	0.017	2	111.3450	0.000	2	111.3450	0.000	2	111.4192	0.003	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:S-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a])	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a]){2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3590	0.010	2	111.3590	0.000	2	111.3590	0.000	2	111.3590	0.000	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CNO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CNO){1|F<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4580	0.025	2	111.4580	0.001	2	111.4580	0.001	2	110.9290	0.153	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5843	0.018	3	110.5843	0.000	3	110.5843	0.000	3	110.9290	0.153	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:3:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(P[5,6]C[5,5,6]ClW)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(P[5,6]C[5,5,6]ClW)(H)2{5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|W<6>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]P[5,6]H)	110.9170	0.006	2	110.9170	0.000	2	110.9170	0.000	2	110.9290	0.153	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4813	0.040	4	111.4813	0.002	4	111.4813	0.002	4	111.3422	0.131	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.3422	0.131	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:S[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	111.3422	0.131	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0030	0.031	4	111.0030	0.001	4	110.9835	0.012	8	110.9641	0.021	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9640	0.159	4	110.9640	0.025	4	110.9835	0.012	8	110.9641	0.021	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1095	0.012	2	111.1095	0.000	2	111.1095	0.000	2	110.9641	0.021	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	S[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7410	0.008	2	110.7410	0.000	2	110.7410	0.000	2	110.9641	0.021	12	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(CNO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(CNO){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3230	0.042	2	111.3230	0.002	2	111.3230	0.002	2	111.3040	0.002	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	111.3040	0.002	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.7780	0.018	2	111.7780	0.000	2	111.7780	0.000	2	111.0217	0.161	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	B[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,6]-4:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|B<3>,2|C<3>}	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3270	0.010	2	110.3270	0.000	2	110.3270	0.000	2	111.0217	0.161	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9600	0.023	4	110.9756	0.001	10	110.9756	0.001	10	111.0217	0.161	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9860	0.033	6	110.9756	0.001	10	110.9756	0.001	10	111.0217	0.161	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3){1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	111.0217	0.161	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl)	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	H(C[5,6]C[5,5,6]2Cl)	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[3x5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7740	0.017	2	111.7740	0.000	2	111.7740	0.000	2	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br){1|Br<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	109.3780	0.000	1	109.3780	0.000	1	109.3780	0.000	1	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	113.1520	0.000	1	113.1520	0.000	1	110.9680	9.540	2	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|Br<1>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	108.7840	0.000	1	108.7840	0.000	1	110.9680	9.540	2	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0577	0.057	8	111.0577	0.003	8	111.0814	0.005	16	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0240	0.020	2	111.0397	0.001	4	111.0814	0.005	16	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0555	0.025	2	111.0397	0.001	4	111.0814	0.005	16	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,3|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2010	0.041	2	111.1705	0.002	4	111.0814	0.005	16	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,3|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1400	0.030	2	111.1705	0.002	4	111.0814	0.005	16	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1748	1.877	8	111.1748	3.523	8	111.1668	2.741	10	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,5,6](C[5,5]N[5,5,6]O)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|B<4>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]N[5,5,6]O)(C[5,6]C[5,6]HH)2(H){1|B<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1350	0.014	2	111.1350	0.000	2	111.1668	2.741	10	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|H<1>,5|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9070	0.025	2	110.9070	0.001	2	111.0607	0.044	24	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2050	0.156	8	111.0747	0.046	22	111.0607	0.044	24	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0003	0.210	14	111.0747	0.046	22	111.0607	0.044	24	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9750	0.096	34	110.9750	0.009	34	111.0060	0.013	41	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<2>,1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1693	0.025	4	111.1693	0.001	4	111.0060	0.013	41	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1730	0.000	1	111.1730	0.000	1	111.0060	0.013	41	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1225	0.005	2	111.1225	0.000	2	111.0060	0.013	41	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1680	0.000	1	111.1680	0.000	1	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1093	0.080	3	111.1093	0.006	3	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1298	0.031	5	111.0288	0.183	133	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0286	0.229	8	111.0288	0.183	133	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0793	0.123	4	111.0288	0.183	133	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9821	0.661	30	111.0288	0.183	133	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0628	0.391	60	111.0288	0.183	133	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9771	0.271	26	111.0288	0.183	133	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0680	0.077	8	111.0680	0.006	8	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1870	0.006	2	111.1870	0.000	2	111.0356	0.167	147	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6,6]O)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8490	0.161	2	110.8490	0.026	2	111.1093	0.022	11	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2056	0.035	5	111.2056	0.001	5	111.1093	0.022	11	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1190	0.061	4	111.1190	0.004	4	111.1093	0.022	11	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5315	0.005	2	111.5315	0.000	2	111.5315	0.000	2	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4137	0.073	4	111.4137	0.005	4	111.4124	0.014	8	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4110	0.169	4	111.4110	0.029	4	111.4124	0.014	8	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1420	0.016	2	111.2199	0.004	17	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2303	0.058	15	111.2199	0.004	17	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2415	0.180	2	111.2306	0.006	10	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2525	0.009	2	111.2306	0.006	10	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2197	0.056	6	111.2306	0.006	10	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3000	0.004	2	111.3897	4.686	81	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4144	2.382	67	111.3897	4.686	81	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2755	0.115	10	111.3897	4.686	81	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2260	0.014	2	111.3897	4.686	81	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H){1|Si<4>,1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3960	0.008	4	111.3960	0.000	4	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3615	0.015	2	111.3615	0.000	2	111.3502	3.323	114	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3840	0.021	2	111.3840	0.000	2	111.3840	0.000	2	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3797	0.038	3	111.3797	0.001	3	111.4026	0.002	15	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4183	0.063	4	111.4183	0.004	4	111.4026	0.002	15	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4005	0.037	4	111.4005	0.001	4	111.4026	0.002	15	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4062	0.035	4	111.4062	0.001	4	111.4026	0.002	15	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	S[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](S[5,5]C[5,5,6]Pd)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C[5,5,6](S[5,5]C[5,5,6]Pd)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3404	0.399	15	110.3404	0.159	15	110.3435	0.115	23	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	S[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](S[5,5]C[5,5,6]Pt)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[5,5,6](S[5,5]C[5,5,6]Pt)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3494	0.212	8	110.3494	0.045	8	110.3435	0.115	23	111.1056	1.135	419	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3700	0.047	2	111.3700	0.002	2	111.3700	0.002	2	111.3700	0.002	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Zn<4>,1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8430	0.044	8	110.8430	0.002	8	110.8430	0.002	8	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8545	0.294	24	110.8545	0.087	24	110.8545	0.087	24	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7875	0.005	2	110.8103	0.010	27	110.8103	0.010	27	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8122	0.104	25	110.8103	0.010	27	110.8103	0.010	27	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8893	0.071	8	110.8959	0.004	10	110.8959	0.004	10	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9225	0.016	2	110.8959	0.004	10	110.8959	0.004	10	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9665	0.033	2	110.9665	0.001	2	110.9665	0.001	2	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.6730	2.152	2	112.6730	4.633	2	112.6730	4.633	2	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3){1|Br<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2322	0.049	4	111.2322	0.002	4	111.1345	0.012	40	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1170	0.058	6	111.1170	0.003	6	111.1345	0.012	40	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1208	0.134	15	111.1208	0.018	15	111.1345	0.012	40	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3){1|Br<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9870	0.027	3	110.9870	0.001	3	111.1345	0.012	40	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1837	0.102	6	111.1837	0.010	6	111.1345	0.012	40	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3){1|Si<4>,1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1460	0.047	6	111.1460	0.002	6	111.1345	0.012	40	110.9801	0.138	113	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.7452	0.028	4	111.7621	0.001	7	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.7700	0.035	2	111.7621	0.001	7	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.8140	0.000	1	111.7621	0.001	7	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.6915	0.008	2	111.5573	0.014	6	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.4240	0.010	2	111.5573	0.014	6	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.5565	0.013	2	111.5573	0.014	6	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.6765	0.005	2	112.3795	1.136	6	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	113.6800	0.772	2	112.3795	1.136	6	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.7820	0.016	2	112.3795	1.136	6	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7168	0.337	6	111.2108	1.083	8	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	109.6925	0.931	2	111.2108	1.083	8	111.6904	0.699	27	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6994	0.069	5	111.6994	0.005	5	111.5524	2.017	17	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7150	2.584	2	111.6363	2.281	4	111.5524	2.017	17	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5575	0.378	2	111.6363	2.281	4	111.5524	2.017	17	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<2>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3055	4.994	2	111.3055	24.943	2	111.5524	2.017	17	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,2|P<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4562	0.172	6	111.4562	0.030	6	111.5524	2.017	17	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.8170	1.827	2	109.8170	3.339	2	111.0417	1.571	6	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.7140	0.025	2	111.7140	0.001	2	111.0417	1.571	6	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5940	0.014	2	111.5940	0.000	2	111.0417	1.571	6	111.5656	1.232	50	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5840	0.017	2	111.5840	0.000	2	111.5840	0.000	2	111.4708	2.198	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3235	3.304	2	111.3235	10.918	2	111.4142	3.651	4	111.4708	2.198	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|O<1>,2|C<3>,2|N<3>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5050	0.035	2	111.5050	0.001	2	111.4142	3.651	4	111.4708	2.198	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|Cl<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.7125	0.086	4	111.7125	0.007	4	111.6696	0.007	7	111.5791	0.038	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.6123	0.030	3	111.6123	0.001	3	111.6696	0.007	7	111.5791	0.038	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){1|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2625	0.056	2	111.2625	0.003	2	111.2625	0.003	2	111.5791	0.038	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H)	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H){1|O<2>,2|C<4>}	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	111.7395	0.005	2	111.7395	0.000	2	111.7395	0.000	2	110.7952	4.076	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5810	0.033	2	111.5810	0.001	2	111.5810	0.001	2	110.7952	4.076	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3305	0.052	2	111.3305	0.003	2	109.9303	7.508	4	110.7952	4.076	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H){1|S<4>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	108.5300	3.831	2	108.5300	14.677	2	109.9303	7.508	4	110.7952	4.076	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9070	0.013	2	110.9070	0.000	2	110.9070	0.000	2	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H)	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	110.2810	0.081	2	110.2810	0.006	2	110.2810	0.006	2	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0755	0.068	4	111.0755	0.005	4	111.0755	0.005	4	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7853	1.540	4	110.7853	2.371	4	110.9385	1.044	8	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0955	0.052	2	111.0918	0.001	4	110.9385	1.044	8	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0880	0.010	2	111.0918	0.001	4	110.9385	1.044	8	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]O)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3545	0.078	2	111.3545	0.006	2	110.9776	0.257	10	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1065	0.023	2	111.1065	0.001	2	110.9776	0.257	10	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.0690	0.389	2	110.0690	0.151	2	110.9776	0.257	10	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]N[6])(C[5,6]C[5,6]HH)(H){1|Ga<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1035	0.036	2	111.1035	0.001	2	110.9776	0.257	10	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H){1|Rh<6>,3|H<1>,3|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2545	0.064	2	111.2545	0.004	2	110.9776	0.257	10	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1695	5.230	2	112.1695	27.358	2	112.1695	27.358	2	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3498	0.028	4	111.3498	0.001	4	111.3498	0.001	4	111.0531	1.331	32	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]2H)	110.9280	0.014	2	110.9280	0.000	2	110.9280	0.000	2	110.3952	0.270	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:N[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|W<6>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|W<6>,5|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.0400	0.260	3	110.0400	0.067	3	110.0400	0.067	3	110.3952	0.270	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	110.8765	0.009	2	110.8765	0.000	2	110.8765	0.000	2	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8930	0.028	2	110.8930	0.001	2	110.8930	0.001	2	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7250	0.031	2	110.8060	0.003	8	110.4562	0.651	10	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8330	0.028	6	110.8060	0.003	8	110.4562	0.651	10	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.0570	0.973	2	109.0570	0.947	2	110.4562	0.651	10	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6825	0.026	2	110.6825	0.001	2	110.6825	0.001	2	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6760	0.025	2	111.6760	0.001	2	111.6760	0.001	2	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9910	0.014	2	111.9910	0.000	2	111.9910	0.000	2	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2{1|C<4>,1|S<1>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6000	0.055	3	111.6000	0.003	3	111.6000	0.003	3	110.9391	0.589	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H){1|C<4>,1|O<2>,3|C<3>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	111.2585	0.030	2	111.2585	0.001	2	111.2585	0.001	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2Br)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2Br)	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.8200	0.007	2	111.8200	0.000	2	111.8372	0.214	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Cl<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.8545	0.801	2	111.8545	0.642	2	111.8372	0.214	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<3>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4205	0.098	2	111.4357	0.004	4	111.3392	1.677	18	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){2|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4510	0.013	2	111.4357	0.004	4	111.3392	1.677	18	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3422	1.606	12	111.3422	2.578	12	111.3392	1.677	18	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1280	0.041	2	111.1280	0.002	2	111.3392	1.677	18	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|I<1>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3695	0.069	2	111.3695	0.005	2	111.6356	0.030	8	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7075	0.064	4	111.7075	0.004	4	111.6356	0.030	8	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	111.7580	0.027	2	111.7580	0.001	2	111.6356	0.030	8	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2I)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<2>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]2I)	110.3330	0.000	1	110.3330	0.000	1	111.3850	2.213	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2I)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]2I)	112.4370	0.000	1	112.4370	0.000	1	111.3850	2.213	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2I)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2I)	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.4292	0.701	4	110.4292	0.491	4	110.4292	0.491	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.7210	0.025	2	111.7210	0.001	2	111.7210	0.001	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2820	0.013	2	111.2982	0.002	4	111.2982	0.002	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3145	0.069	2	111.2982	0.002	4	111.2982	0.002	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H){1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5790	0.010	2	111.5790	0.000	2	111.5790	0.000	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	108.4450	0.134	2	108.4450	0.018	2	109.2297	1.856	3	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H)	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	110.7990	0.000	1	110.7990	0.000	1	109.2297	1.856	3	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.9544	2.172	8	109.9544	4.716	8	109.9544	4.716	8	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4150	0.024	2	111.4150	0.001	2	111.2923	0.363	38	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5015	0.052	4	111.4914	0.003	5	111.2923	0.363	38	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4510	0.000	1	111.4914	0.003	5	111.2923	0.363	38	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5005	0.008	2	111.2523	0.438	31	111.2923	0.363	38	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2097	0.716	26	111.2523	0.438	31	111.2923	0.363	38	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4567	0.074	3	111.2523	0.438	31	111.2923	0.363	38	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4265	0.018	2	111.4265	0.000	2	111.4265	0.000	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3800	0.041	2	111.3800	0.002	2	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2796	0.226	15	111.2796	0.051	15	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4998	0.023	4	111.4998	0.001	4	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5199	0.096	13	111.5199	0.009	13	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5435	0.029	2	111.5435	0.001	2	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4640	0.038	2	111.4640	0.001	2	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5290	0.034	2	111.5290	0.001	2	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]N[5,5,6])(H){1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6675	0.064	2	111.6675	0.004	2	111.4314	0.036	42	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I){2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HI)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]I)	110.1380	0.335	2	110.1380	0.112	2	110.1380	0.112	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]I)	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]N[5,5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]H)	111.4700	0.023	2	111.4700	0.001	2	111.3740	0.012	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]N[5,5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]H)	111.2780	0.010	2	111.2780	0.000	2	111.3740	0.012	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2{1|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.0860	0.812	2	112.0860	0.659	2	112.0860	0.659	2	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2172	0.014	4	111.2172	0.000	4	111.2172	0.000	4	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2517	0.151	7	111.2517	0.023	7	111.4165	0.602	11	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5685	0.008	2	111.5685	0.000	2	111.4165	0.602	11	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8410	2.300	2	111.8410	5.288	2	111.4165	0.602	11	111.2715	0.862	165	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH)	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2{1|H<1>,2|O<2>,7|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	111.0498	0.156	4	111.0498	0.024	4	111.0498	0.024	4	111.1329	0.981	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5,6]O[5]2)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(O[5]C[5])2	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5,6]O[5]2)(H)2{5|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	111.1025	0.196	2	111.1025	0.038	2	111.1025	0.038	2	111.1329	0.981	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])2	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|C<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])2{3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]2H)	112.9465	0.016	2	112.9465	0.000	2	112.9465	0.000	2	111.1329	0.981	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5,6])2	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5,6])2{5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.2065	0.069	2	111.2065	0.005	2	111.1393	0.008	4	111.1329	0.981	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5])2	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5])2{3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0720	0.013	2	111.0720	0.000	2	111.1393	0.008	4	111.1329	0.981	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH){4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.5035	0.841	2	109.5035	0.707	2	109.5035	0.707	2	111.1329	0.981	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2366	0.092	9	111.2366	0.009	9	111.2236	0.008	11	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1655	0.025	2	111.1655	0.001	2	111.2236	0.008	11	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(COO){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4988	0.038	4	111.4988	0.001	4	111.4988	0.001	4	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3637	0.047	3	111.3637	0.002	3	111.3637	0.002	3	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9275	0.030	2	111.9275	0.001	2	111.9275	0.001	2	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CNO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CNO){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.2395	2.170	4	110.2395	4.710	4	111.3411	0.569	157	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[5]O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[5]O){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4763	0.160	4	111.4763	0.026	4	111.3411	0.569	157	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[6]O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[6]O){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2020	1.529	4	111.2020	2.338	4	111.3411	0.569	157	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3779	0.660	143	111.3716	0.433	145	111.3411	0.569	157	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9215	0.224	2	111.3716	0.433	145	111.3411	0.569	157	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4147	0.041	6	111.4147	0.002	6	111.4147	0.002	6	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH){1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	111.3460	0.491	184	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.5727	0.067	4	111.4639	0.012	14	111.4639	0.012	14	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.5087	0.063	4	111.4639	0.012	14	111.4639	0.012	14	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3245	0.052	2	111.4639	0.012	14	111.4639	0.012	14	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){2|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3798	0.052	4	111.4639	0.012	14	111.4639	0.012	14	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2940	0.031	2	111.2452	0.004	4	111.2452	0.004	4	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1965	0.018	2	111.2452	0.004	4	111.2452	0.004	4	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HS)(O[5,5]N[5,5,6])(SC[6a]OO)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|S<4>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HS)(O[5,5]N[5,5,6])(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.6165	0.011	2	111.6165	0.000	2	111.6165	0.000	2	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4446	0.064	8	111.4446	0.004	8	111.4446	0.004	8	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CSnOO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CSnOO){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5875	0.063	2	111.5875	0.004	2	111.3205	0.047	6	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2410	0.045	2	111.2410	0.002	2	111.3205	0.047	6	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1330	0.059	2	111.1330	0.004	2	111.3205	0.047	6	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3142	0.028	5	111.3142	0.001	5	111.3639	0.032	22	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4997	0.017	3	111.5543	0.005	9	111.3639	0.032	22	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5817	0.075	6	111.5543	0.005	9	111.3639	0.032	22	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1920	0.033	3	111.1920	0.001	3	111.3639	0.032	22	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1738	0.054	5	111.1738	0.003	5	111.3639	0.032	22	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:P-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7565	0.033	2	111.7565	0.001	2	111.4675	0.112	4	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:P-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1785	0.006	2	111.1785	0.000	2	111.4675	0.112	4	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,5,6]P[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(H)2{3|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,5|H<1>}	H(C[5,6]C[5,5,6]P[5,5,6]H)	111.5981	0.985	10	111.5981	0.969	10	111.5981	0.969	10	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1826	0.045	7	111.1826	0.002	7	111.1826	0.002	7	111.4068	0.148	77	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.3660	0.011	2	111.3660	0.000	2	111.3660	0.000	2	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]2Cl)	109.2920	0.000	1	109.2920	0.000	1	108.4440	0.548	4	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2Cl)	108.1613	0.586	3	108.1613	0.343	3	108.4440	0.548	4	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.2897	0.042	4	111.2897	0.002	4	111.4059	0.577	18	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0135	1.723	2	111.0740	0.995	4	111.4059	0.577	18	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1345	0.015	2	111.0740	0.995	4	111.4059	0.577	18	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Se<2>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0360	0.010	2	111.0360	0.000	2	111.4059	0.577	18	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	112.0565	2.191	2	112.0565	4.802	2	111.4059	0.577	18	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|I<1>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3915	0.023	2	111.3915	0.001	2	111.4059	0.577	18	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|Br<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7210	0.042	4	111.7210	0.002	4	111.4059	0.577	18	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5]C)(H){1|S<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3845	0.029	2	111.3845	0.001	2	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H){1|C<3>,1|N<2>,2|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4213	0.063	3	111.4213	0.004	3	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H){1|O<2>,2|O<1>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]2H)	111.2085	0.035	2	111.2085	0.001	2	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.5005	0.124	2	111.5005	0.015	2	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4075	0.277	128	111.2407	1.796	134	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.2530	0.055	2	111.2407	1.796	134	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]C)(H){2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	105.8972	6.093	4	111.2407	1.796	134	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4685	0.023	2	111.4685	0.001	2	111.2527	1.662	145	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	111.0177	0.057	8	111.0177	0.003	8	111.0106	0.006	19	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	110.9280	0.011	2	110.9280	0.000	2	111.0106	0.006	19	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	110.9580	0.098	4	110.9580	0.010	4	111.0106	0.006	19	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0350	0.000	1	111.0507	0.000	3	111.0106	0.006	19	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0585	0.023	2	111.0507	0.000	3	111.0106	0.006	19	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	111.1100	0.099	2	111.1100	0.010	2	111.0106	0.006	19	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.2805	1.020	2	111.2805	1.041	2	111.2805	1.041	2	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H){2|Br<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|C<3>,1|S<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	109.4420	0.000	1	109.4420	0.000	1	112.3210	16.577	2	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	115.2000	0.000	1	115.2000	0.000	1	112.3210	16.577	2	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3640	0.104	8	110.3640	0.011	8	110.3793	0.010	10	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4405	0.029	2	110.4405	0.001	2	110.3793	0.010	10	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8070	0.007	2	110.8070	0.000	2	110.8070	0.000	2	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2{4|Cl<1>,1|C<3>}	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5305	0.221	2	110.5305	0.049	2	110.5305	0.049	2	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2295	0.757	6	111.2295	0.574	6	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0950	0.044	2	111.0950	0.002	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2183	0.420	18	111.2036	0.160	20	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0710	0.079	2	111.2036	0.160	20	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1285	0.033	4	111.1285	0.001	4	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<2>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	116.5435	3.379	2	116.5435	11.419	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0475	0.009	2	111.0475	0.000	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2473	0.270	6	111.2473	0.073	6	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2895	0.008	2	111.2895	0.000	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3253	0.044	6	111.2788	0.009	24	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2633	0.100	18	111.2788	0.009	24	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1600	0.037	2	111.1600	0.001	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1596	0.017	5	110.9594	0.058	13	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9855	0.033	2	110.9594	0.058	13	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7838	0.250	6	110.9594	0.058	13	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2680	0.025	2	111.2594	0.005	5	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2537	0.098	3	111.2594	0.005	5	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){1|C<4>,1|S<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2482	0.192	4	111.2482	0.037	4	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.5778	2.157	4	109.5778	4.654	4	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2106	0.041	5	111.1395	0.005	21	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1042	0.062	13	111.1395	0.005	21	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1740	0.016	3	111.1395	0.005	21	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1983	0.052	4	111.2476	0.013	8	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4220	0.035	2	111.2476	0.013	8	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1720	0.020	2	111.2476	0.013	8	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0755	0.083	2	111.1169	0.006	8	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1457	0.100	4	111.1169	0.006	8	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1005	0.005	2	111.1169	0.006	8	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6180	2.401	2	111.6180	5.766	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3630	0.013	2	111.1532	0.086	6	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3205	0.030	2	111.1532	0.086	6	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7760	0.014	2	111.1532	0.086	6	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2025	0.021	2	111.2025	0.000	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7685	0.895	4	110.7685	0.802	4	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1077	0.022	3	111.1077	0.000	3	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2675	0.013	2	111.2675	0.000	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2{3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2995	1.559	2	111.2995	2.431	2	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]RhH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]RhH)(H)2{1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|Rh<5>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1030	0.042	4	111.1030	0.002	4	111.2015	0.726	158	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:S[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]C)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0135	0.005	2	111.0135	0.000	2	111.0135	0.000	2	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4363	0.086	9	110.4363	0.007	9	110.5461	0.021	26	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4285	0.065	4	110.4285	0.004	4	110.5461	0.021	26	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6580	0.014	2	110.6580	0.000	2	110.5461	0.021	26	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8100	0.091	2	110.8100	0.008	2	110.5461	0.021	26	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6247	0.090	9	110.6247	0.008	9	110.5461	0.021	26	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:N[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H){5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	111.2895	0.098	4	111.2895	0.010	4	111.2895	0.010	4	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	111.2118	0.163	6	111.2118	0.027	6	111.2118	0.027	6	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.9943	0.022	3	110.9943	0.000	3	110.9943	0.000	3	111.1263	1.082	406	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]2Cl)	108.1977	0.490	3	108.1977	0.240	3	108.2130	0.161	4	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2Cl)	108.2590	0.000	1	108.2590	0.000	1	108.2130	0.161	4	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3585	0.012	2	111.3585	0.000	2	111.3585	0.000	2	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2{1|O<1>,2|C<4>,2|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH){2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8550	0.034	2	110.8550	0.001	2	110.8550	0.001	2	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3042	0.079	4	111.3042	0.006	4	111.2082	0.026	6	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0160	0.034	2	111.0160	0.001	2	111.2082	0.026	6	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5])	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5,6]N[5,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.3455	0.016	2	112.3455	0.000	2	112.3455	0.000	2	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.2870	0.010	2	112.2870	0.000	2	112.2870	0.000	2	110.7663	2.247	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(C[5]N[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	H(C[5,6]C[5,5,6]2Cl)	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)2	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|O<1>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1360	0.007	2	111.1360	0.000	2	111.1360	0.000	2	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CNO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CNO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9495	0.050	2	110.9495	0.003	2	110.9555	0.009	6	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CNO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CNO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8590	0.031	2	110.8590	0.001	2	110.9555	0.009	6	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(COO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0580	0.018	2	111.0580	0.000	2	110.9555	0.009	6	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2){1|I<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2047	0.070	4	111.2047	0.005	4	111.2047	0.005	4	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(NCH){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0070	0.082	4	111.0070	0.007	4	111.0070	0.007	4	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H){4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8000	0.008	2	111.8000	0.000	2	111.8000	0.000	2	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]O)(COO)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]O)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2330	1.157	2	109.2330	1.338	2	109.2330	1.338	2	110.8702	0.575	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	111.1464	0.095	8	111.1464	0.009	8	111.1464	0.009	8	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	112.6945	2.532	2	112.6945	6.412	2	112.1725	2.501	4	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CCHH)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CCHH){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.6505	0.005	2	111.6505	0.000	2	112.1725	2.501	4	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	110.9730	0.025	2	110.9730	0.001	2	110.8607	0.018	12	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	110.7170	0.010	2	110.7170	0.000	2	110.8607	0.018	12	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	111.0465	0.037	2	111.0465	0.001	2	110.8607	0.018	12	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	110.8093	0.098	6	110.8093	0.010	6	110.8607	0.018	12	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	107.1055	6.853	2	107.1055	46.958	2	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6900	0.000	1	111.0458	0.325	38	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9310	0.035	2	111.0458	0.325	38	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1029	0.656	28	111.0458	0.325	38	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9080	0.000	1	111.0458	0.325	38	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9002	0.090	6	111.0458	0.325	38	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7035	0.006	2	110.7035	0.000	2	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8437	0.046	6	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7746	0.042	5	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0823	0.447	7	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9402	0.106	19	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8837	0.114	4	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|Br<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8552	0.046	4	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8083	0.013	3	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8670	0.043	6	110.9066	0.035	54	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9398	0.298	169	110.9398	0.089	169	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0100	0.031	2	111.0100	0.001	2	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3){1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9803	0.087	3	110.9803	0.008	3	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8991	0.662	157	110.8670	0.532	161	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.0960	1.020	2	110.8670	0.532	161	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1165	0.005	2	110.8670	0.532	161	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0565	0.015	2	111.0565	0.000	2	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8400	0.000	1	110.8400	0.000	1	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1969	0.071	12	111.1969	0.005	12	110.9081	0.432	446	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5326	0.031	5	111.5326	0.001	5	111.5326	0.001	5	110.9281	0.440	475	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	111.1780	0.007	2	111.1780	0.000	2	111.1780	0.000	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[4,5,6]C[5,5,6]H)	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|P<5>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[4,5,6]C[5,5,6]H)	110.9790	0.064	2	110.9790	0.004	2	110.9790	0.004	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.6447	0.047	7	111.6447	0.002	7	111.6447	0.002	7	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9680	0.013	2	110.9341	0.001	8	110.9341	0.001	8	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9380	0.008	2	110.9341	0.001	8	110.9341	0.001	8	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,5|C<4>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9153	0.025	4	110.9341	0.001	8	110.9341	0.001	8	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.2005	0.478	4	111.2005	0.229	4	111.2422	0.180	5	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<4>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.4090	0.000	1	111.4090	0.000	1	111.2422	0.180	5	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.4760	0.027	2	111.4760	0.001	2	111.4828	0.006	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.5420	0.060	4	111.4845	0.007	8	111.4828	0.006	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.4030	0.058	3	111.4845	0.007	8	111.4828	0.006	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.4990	0.000	1	111.4845	0.007	8	111.4828	0.006	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	108.7075	0.262	2	108.8013	0.061	3	108.8013	0.061	3	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	108.9890	0.000	1	108.8013	0.061	3	108.8013	0.061	3	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	111.6042	0.058	6	111.6042	0.003	6	111.6042	0.003	6	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.1747	0.033	4	111.1747	0.001	4	111.1747	0.001	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[4,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	110.9983	0.104	6	110.9983	0.011	6	110.9983	0.011	6	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	112.4688	0.498	5	112.3795	0.587	11	112.3795	0.587	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	112.3052	0.980	6	112.3795	0.587	11	112.3795	0.587	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H)	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2Br)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2Br)	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]HH)(Br)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]HH)(Br){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.8605	0.036	2	111.8605	0.001	2	111.7788	0.004	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Br)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Br){1|C<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7835	0.025	4	111.7835	0.001	4	111.7788	0.004	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7750	0.013	2	111.7332	0.002	4	111.7788	0.004	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br){1|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.6915	0.005	2	111.7332	0.002	4	111.7788	0.004	10	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	110.3145	1.866	2	110.3145	3.482	2	111.6309	2.218	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.6312	0.073	4	111.6312	0.005	4	111.6309	2.218	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl){1|C<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7060	0.000	1	111.7060	0.000	1	111.6309	2.218	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	112.7600	3.553	2	112.2700	4.527	4	111.6309	2.218	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl){1|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.7800	0.006	2	112.2700	4.527	4	111.6309	2.218	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4290	2.421	4	111.4290	5.863	4	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.5962	0.026	4	111.5962	0.001	4	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.5475	0.035	2	111.5475	0.001	2	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|P<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.5498	0.655	4	111.5498	0.429	4	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	113.2720	1.964	2	113.2720	3.859	2	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|Br<1>,4|C<4>,4|O<2>}	C[5,5,6](C[3x5,6]C[4,5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]HH)(C[5]O[5]CC)(H){1|Br<1>,1|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]2H)	111.0555	0.035	2	111.0555	0.001	2	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H){1|C<4>,1|N<2>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1355	0.016	2	111.1355	0.000	2	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4507	0.087	4	111.4507	0.008	4	111.5885	1.287	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4]O)(C[5,5]C[3x5,6]OO)(C[5,6]C[5,5,6]HH)(Br)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|Br<1>,4|C<4>,4|O<2>}	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4]O)(C[5,5]C[3x5,6]OO)(C[5,6]C[5,5,6]HH)(Br){1|Br<1>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0555	0.015	2	111.0555	0.000	2	111.0555	0.000	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4,5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1025	0.054	2	111.1025	0.003	2	111.1025	0.003	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|N<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1510	0.017	2	111.1510	0.000	2	111.1510	0.000	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|C<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	110.6275	1.025	2	110.6275	1.050	2	110.6275	1.050	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1530	2.997	4	111.1530	8.979	4	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	112.1070	3.059	2	112.1070	9.357	2	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,5,6]2H)	111.2785	0.060	4	111.2785	0.004	4	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0875	0.009	2	111.0875	0.000	2	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	109.3978	2.482	4	109.3978	6.159	4	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3112	0.208	131	111.4425	1.061	143	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	112.2000	0.566	2	111.4425	1.061	143	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4025	0.025	2	111.4425	1.061	143	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3840	0.912	2	111.4425	1.061	143	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	119.6970	2.028	2	111.4425	1.061	143	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.2045	0.022	2	111.4425	1.061	143	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3700	0.040	2	111.4425	1.061	143	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.3630	0.031	2	111.3630	0.001	2	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	112.3752	2.190	11	112.1395	3.591	15	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.5530	0.115	2	112.1395	3.591	15	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4295	0.015	2	112.1395	3.591	15	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	110.9450	0.027	2	110.9450	0.001	2	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|O<1>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1345	0.006	2	111.1345	0.000	2	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|O<1>,3|H<1>,7|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	110.5810	0.010	2	110.5810	0.000	2	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]2H)	111.1633	0.048	4	111.1633	0.002	4	111.4235	1.534	186	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.2625	5.486	2	111.2625	30.101	2	111.1475	10.051	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Se<2>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0325	0.021	2	111.0325	0.000	2	111.1475	10.051	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|S<2>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	110.2180	0.042	2	110.2180	0.002	2	110.2180	0.002	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H)	H(C[5,6]C[5,5,6]2I)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2I)	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2758	0.842	6	111.4159	1.719	12	111.4159	1.719	12	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5560	1.739	6	111.4159	1.719	12	111.4159	1.719	12	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2{4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5340	0.000	1	111.5340	0.000	1	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.9993	0.027	3	111.9230	0.005	10	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8903	0.059	7	111.9230	0.005	10	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1420	0.006	2	111.1420	0.000	2	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.6808	0.069	4	111.6808	0.005	4	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2{1|Fe<5>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(H){1|N<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.7182	0.027	4	111.7182	0.001	4	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.7320	0.027	3	111.7320	0.001	3	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.9385	0.033	2	111.9570	0.002	3	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.9940	0.000	1	111.9570	0.002	3	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]C)(H)2	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|Se<2>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.4210	0.023	2	111.4210	0.001	2	111.7432	0.054	29	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	108.7045	3.043	2	108.7045	9.258	2	109.4017	3.752	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<2>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	109.9360	0.000	1	110.0990	0.053	2	109.4017	3.752	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	110.2620	0.000	1	110.0990	0.053	2	109.4017	3.752	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]ClH)(Cl)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|Cl<1>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]ClH)(Cl){2|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	109.0030	0.448	2	109.0030	0.201	2	109.0030	0.201	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H){2|Cl<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	115.6770	1.817	2	115.6770	3.302	2	115.6770	3.302	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1441	0.068	7	111.1441	0.005	7	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1502	0.067	4	111.1502	0.004	4	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0943	0.070	4	111.0943	0.005	4	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1625	0.080	4	111.1625	0.006	4	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1060	0.048	4	111.1060	0.002	4	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2102	0.081	9	111.2102	0.007	9	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|W<6>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1115	0.115	2	111.1115	0.013	2	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1055	0.026	2	111.1352	0.001	4	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1650	0.016	2	111.1352	0.001	4	111.1504	0.006	38	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<5>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1060	0.047	4	111.1060	0.002	4	111.0730	0.004	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0305	0.040	4	111.0553	0.005	12	111.0730	0.004	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0620	0.086	4	111.0553	0.005	12	111.0730	0.004	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0733	0.081	4	111.0553	0.005	12	111.0730	0.004	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HI)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0978	0.064	4	111.0978	0.004	4	111.0730	0.004	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0683	0.067	4	111.0683	0.004	4	111.0730	0.004	24	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]HH)2(H){1|O<1>,2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0298	0.115	21	111.0298	0.013	21	111.0298	0.013	21	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	115.3648	4.452	4	115.3648	19.816	4	111.6609	4.630	28	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0915	0.099	20	111.0915	0.010	20	111.6609	4.630	28	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4680	0.791	2	110.4680	0.625	2	111.6609	4.630	28	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1405	0.071	2	111.1405	0.005	2	111.6609	4.630	28	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<3>,2|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2220	0.027	2	111.1195	0.014	4	111.1355	0.005	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]B[6,6,6a]C[5,3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0170	0.006	2	111.1195	0.014	4	111.1355	0.005	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1430	0.011	2	111.1446	0.000	7	111.1355	0.005	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1295	0.021	2	111.1446	0.000	7	111.1355	0.005	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1580	0.016	2	111.1446	0.000	7	111.1355	0.005	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1510	0.000	1	111.1446	0.000	7	111.1355	0.005	11	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1570	0.030	4	111.1570	0.001	4	111.1570	0.001	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.2173	3.031	4	111.0052	1.070	30	111.0429	0.895	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1264	0.155	26	111.0052	1.070	30	111.0429	0.895	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1300	0.014	2	111.1300	0.000	2	111.0429	0.895	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2580	0.025	2	111.2823	0.001	4	111.0429	0.895	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3065	0.036	2	111.2823	0.001	4	111.0429	0.895	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1630	0.038	2	111.1630	0.001	2	111.1630	0.001	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8780	0.029	4	110.8780	0.001	4	110.9263	0.006	6	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0230	0.000	2	111.0230	0.000	2	110.9263	0.006	6	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1575	0.156	2	111.1575	0.024	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2460	0.000	1	111.2460	0.000	1	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1915	0.029	2	111.1915	0.001	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4085	0.062	2	111.4085	0.004	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1270	0.045	2	111.1270	0.002	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1440	0.016	2	111.1644	0.003	22	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1773	0.067	4	111.1644	0.003	22	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2700	0.004	2	111.1644	0.003	22	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1486	0.035	14	111.1644	0.003	22	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6510	2.051	2	111.6510	4.205	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<10>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0435	0.080	4	111.0435	0.006	4	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Fe<10>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Fe)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0067	0.065	4	111.0067	0.004	4	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0238	0.056	4	111.0944	0.011	7	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1887	0.064	3	111.0944	0.011	7	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0160	0.000	1	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2920	0.035	2	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2175	0.016	2	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1868	0.047	4	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0795	0.174	8	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0700	0.000	1	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1230	0.016	2	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1228	0.042	6	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0329	1.422	20	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1825	0.038	4	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0910	0.051	3	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.2717	1.455	4	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1558	0.601	26	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|N<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1470	0.000	1	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0040	0.054	2	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1495	0.021	2	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0995	0.043	2	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2060	0.514	4	111.0824	0.623	94	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0855	0.053	2	111.0855	0.003	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ti<8>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Ti)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9153	0.077	16	110.9153	0.006	16	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<2>,1|S<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.1975	1.576	2	113.1975	2.484	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2394	0.053	15	111.2394	0.003	15	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1180	0.055	4	111.1180	0.003	4	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1160	0.000	1	111.1160	0.000	1	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1765	0.046	2	111.1139	0.003	16	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1269	0.048	8	111.1139	0.003	16	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Nb<6>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0520	0.018	2	111.1139	0.003	16	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1315	0.008	2	111.1139	0.003	16	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0440	0.017	2	111.1139	0.003	16	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1353	0.051	3	111.0786	0.004	11	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1133	0.053	3	111.0786	0.004	11	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0238	0.026	5	111.0786	0.004	11	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1435	0.013	2	111.1435	0.000	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9610	0.016	2	110.9610	0.000	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.9695	1.696	2	108.9695	2.878	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<2>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2610	0.058	2	111.2610	0.003	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0975	0.066	2	111.0975	0.004	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1330	0.007	2	111.1330	0.000	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|O<1>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1230	0.000	1	111.1230	0.000	1	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1678	0.018	6	110.4710	10.029	14	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2485	0.035	2	110.4710	10.029	14	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6485	3.655	2	110.4710	10.029	14	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.9483	5.875	4	110.4710	10.029	14	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2005	0.026	2	111.2005	0.001	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4520	0.438	2	111.4520	0.192	2	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9635	2.511	4	110.9635	6.306	4	111.0681	1.000	244	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3370	0.000	1	111.3370	0.000	1	111.0833	0.067	12	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1435	0.006	2	111.1435	0.000	2	111.0833	0.067	12	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8090	0.054	2	110.8090	0.003	2	111.0833	0.067	12	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0025	0.087	6	111.0025	0.008	6	111.0833	0.067	12	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7420	0.000	1	111.7420	0.000	1	111.0833	0.067	12	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5550	1.421	2	110.5550	2.020	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4522	0.701	4	111.0258	0.438	154	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9935	5.037	2	111.0258	0.438	154	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1994	1.595	12	111.0258	0.438	154	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9852	0.261	132	111.0258	0.438	154	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9348	0.190	4	111.0258	0.438	154	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9592	0.034	4	110.9592	0.001	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1240	0.016	2	111.1240	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0600	0.000	1	111.2918	0.018	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3498	0.038	4	111.2918	0.018	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1110	0.007	2	111.1110	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5957	0.133	6	111.5957	0.018	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<3>,1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1030	0.033	2	111.1030	0.001	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0882	0.589	6	111.0882	0.347	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8880	0.841	2	110.8809	0.685	26	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.5940	1.092	2	110.8809	0.685	26	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7095	0.378	10	110.8809	0.685	26	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7371	0.827	12	110.8809	0.685	26	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2873	0.076	4	111.2873	0.006	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.5240	0.494	2	112.5240	0.244	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0274	0.165	26	110.9305	0.085	50	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8510	0.365	22	110.9305	0.085	50	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5455	0.043	2	110.9305	0.085	50	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9043	0.333	4	110.9043	0.111	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0735	0.019	2	111.0735	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0915	0.006	2	111.0915	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2{1|Co<9>,2|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0747	0.223	4	111.0747	0.050	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0660	0.011	2	111.0660	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9250	0.087	4	110.9250	0.008	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]HH)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.5060	0.776	2	109.5060	0.603	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0360	0.028	2	111.0360	0.001	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2{3|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8540	0.004	2	110.8540	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1427	0.037	3	111.1302	0.001	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1115	0.008	2	111.1302	0.001	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7715	0.023	2	110.7715	0.001	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2085	0.019	2	111.0045	0.025	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8940	0.030	2	111.0045	0.025	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Cl<1>,1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9110	0.010	2	111.0045	0.025	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8570	0.081	2	111.8570	0.006	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2{2|Cl<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]HH)(H){3|Cl<1>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8690	0.008	2	110.8690	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){2|Cl<1>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7660	7.949	4	110.7660	63.181	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[4,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3545	0.078	2	111.3545	0.006	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1780	0.026	3	111.0602	0.026	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8835	0.018	2	111.0602	0.026	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9967	0.018	4	110.9967	0.000	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3090	0.000	2	111.2526	0.008	8	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2338	0.098	6	111.2526	0.008	8	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2910	0.000	1	111.2910	0.000	1	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0865	0.105	6	111.0865	0.011	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1540	0.011	2	111.1598	0.000	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1655	0.016	2	111.1598	0.000	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7362	1.324	6	110.7362	1.752	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1517	0.040	4	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1323	0.110	21	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6575	1.348	2	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3239	0.801	29	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3137	0.102	6	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1902	0.270	175	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2180	0.038	2	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2400	0.023	2	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2229	0.078	23	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1893	0.360	28	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0210	0.010	2	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2825	0.138	4	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2359	0.199	14	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1256	1.857	7	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3805	0.648	4	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3811	2.482	40	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2170	0.000	1	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2561	0.067	7	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|Sn<4>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1586	1.872	5	111.2541	0.868	376	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6040	0.044	2	111.6040	0.002	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3438	0.147	4	111.3438	0.022	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H){4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1331	0.063	7	111.1331	0.004	7	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0637	0.049	6	111.0637	0.002	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1190	0.049	5	111.1190	0.002	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1140	0.000	1	111.1140	0.000	1	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1890	0.008	2	111.1890	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0344	0.091	7	111.0344	0.008	7	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1050	0.020	2	111.1050	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1395	0.021	2	111.1395	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0800	0.045	3	111.0800	0.002	3	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.0725	3.391	2	111.4332	3.215	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0070	0.011	3	111.4332	3.215	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ag<6>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AgH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1080	0.029	4	111.1080	0.001	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1720	0.006	2	111.1730	0.000	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1590	0.000	1	111.1730	0.000	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1810	0.007	2	111.1730	0.000	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0773	0.021	3	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1950	0.000	1	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0800	0.000	1	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1905	0.022	2	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0850	0.000	1	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3443	0.231	38	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2408	0.042	6	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2304	1.405	14	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4835	0.253	4	111.2952	0.412	70	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|I<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2723	0.097	3	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	114.6800	3.875	4	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8966	1.207	20	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0805	0.060	2	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4685	2.080	2	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0072	0.387	9	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9104	0.299	5	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1190	0.093	7	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1638	0.074	6	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9493	0.119	4	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7283	0.725	12	111.1424	1.910	74	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.5820	3.404	4	111.8116	5.528	14	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1160	0.297	6	111.8116	5.528	14	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1495	0.030	2	111.8116	5.528	14	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0200	4.369	2	111.8116	5.528	14	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0560	0.035	2	111.0560	0.001	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2172	0.146	10	111.1762	0.020	14	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<6>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CuH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0738	0.044	4	111.1762	0.020	14	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H){1|C<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0690	0.053	3	111.0690	0.003	3	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1370	0.104	4	111.5000	0.796	19	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2685	0.048	4	111.5000	0.796	19	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1490	0.004	2	111.5000	0.796	19	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1680	0.000	1	111.5000	0.796	19	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.6040	1.638	4	111.5000	0.796	19	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2490	0.040	4	111.5000	0.796	19	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0427	0.104	3	110.2269	3.288	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pt<6>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1900	0.061	2	110.2269	3.288	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Si<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.9115	2.218	2	110.2269	3.288	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.3555	3.539	2	110.2269	3.288	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0905	0.018	2	111.0734	0.000	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0540	0.017	2	111.0734	0.000	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0780	0.000	1	111.0734	0.000	5	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1270	0.016	2	111.1270	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|W<11>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HW)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1713	0.046	4	111.1713	0.002	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|P<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8925	0.030	2	110.8925	0.001	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1330	0.016	4	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1430	0.013	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0873	0.110	15	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1995	0.972	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0481	0.648	12	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0765	0.008	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1070	0.000	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5100	0.061	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1400	0.000	1	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Cl<1>,1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1260	0.018	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Ni<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.8730	0.011	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Pd<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2610	0.031	2	111.0240	0.198	48	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ir<5>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]IrH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7801	1.163	12	110.7801	1.352	12	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<5>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]NiH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1608	0.045	8	111.1608	0.002	8	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1540	0.045	2	111.1560	0.041	22	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2069	0.113	7	111.1560	0.041	22	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1560	0.013	2	111.1560	0.041	22	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1258	0.050	6	111.1560	0.041	22	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1447	0.040	3	111.1560	0.041	22	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<5>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0880	0.860	2	111.1560	0.041	22	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1570	0.077	3	111.2799	0.019	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<5>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4490	0.061	2	111.2799	0.019	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<6>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3685	0.019	2	111.2799	0.019	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<5>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(C[5,6]C[5,6]HH)(H){1|O<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2065	0.073	2	111.2799	0.019	9	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1900	0.031	4	111.1900	0.001	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1665	3.055	2	111.1665	9.336	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1860	0.033	2	111.1860	0.001	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7044	0.715	8	110.7044	0.511	8	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1437	0.215	6	111.1437	0.046	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1807	0.056	3	111.2315	0.065	21	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2638	0.100	4	111.2315	0.065	21	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2664	0.151	7	111.2315	0.065	21	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1999	0.427	7	111.2315	0.065	21	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0830	0.000	1	111.0830	0.000	1	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8795	0.042	2	111.0353	0.033	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1910	0.000	2	111.0353	0.033	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0914	0.054	7	111.3988	2.944	50	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6728	0.180	4	111.3988	2.944	50	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5285	1.924	39	111.3988	2.944	50	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6333	0.724	4	111.6299	0.326	7	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8770	0.071	2	111.6299	0.326	7	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Pd<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1220	0.000	1	111.6299	0.326	7	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1753	0.118	4	111.1753	0.014	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1920	0.045	2	111.1920	0.002	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.0100	1.754	2	112.0100	3.075	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3448	0.085	4	111.3448	0.007	4	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2573	0.060	3	111.2573	0.004	3	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]NiH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]NiH)(H)2{1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|Ni<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4850	0.013	2	111.4850	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SnH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SnH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2(H){1|Sn<4>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7933	1.505	6	111.7933	2.266	6	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{3|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7010	0.008	2	111.7010	0.000	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|S<4>,4|H<1>}	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H){2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1850	0.035	2	111.1850	0.001	2	111.1706	0.956	1226	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1290	0.033	2	111.2237	0.012	4	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3185	0.019	2	111.2237	0.012	4	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1778	0.023	4	111.1094	0.028	9	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8360	0.034	2	111.1094	0.028	9	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2007	0.113	3	111.1094	0.028	9	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<9>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.1580	2.266	8	110.1580	5.134	8	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2860	0.000	1	111.2860	0.000	1	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2155	0.237	2	111.1920	0.012	6	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1930	0.010	2	111.1920	0.012	6	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1675	0.039	2	111.1920	0.012	6	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4160	0.000	1	111.4160	0.000	1	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0975	0.029	2	111.0975	0.001	2	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1880	0.066	25	111.1880	0.004	25	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2485	0.015	2	111.1257	0.398	4	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0030	1.065	2	111.1257	0.398	4	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2140	0.135	4	111.2264	0.011	8	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<4>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2387	0.078	4	111.2264	0.011	8	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1757	0.195	4	111.1757	0.038	4	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7105	0.146	2	110.8967	0.054	4	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0830	0.030	2	110.8967	0.054	4	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2975	0.036	2	111.2975	0.001	2	111.0653	0.594	78	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:S[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5a,6]H)(S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8410	0.028	4	110.8410	0.001	4	110.8410	0.001	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	1	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9910	1.457	2	111.9910	2.122	2	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,5,6]BrH)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8760	0.008	2	110.8760	0.000	2	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|Cl<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]Cl2)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8880	0.010	2	110.8880	0.000	2	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0090	0.010	2	111.0090	0.000	2	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2330	0.007	2	111.2000	0.002	4	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1670	0.013	2	111.2000	0.002	4	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8415	0.009	2	110.8415	0.000	2	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2730	0.013	2	111.1182	0.006	14	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0875	0.013	2	111.1182	0.006	14	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1073	0.056	6	111.1182	0.006	14	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0725	0.032	4	111.1182	0.006	14	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]Rh)(C[5,5]C[5,5,6]HP)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0545	0.531	4	111.0545	0.282	4	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1290	0.027	2	111.1290	0.001	2	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9255	0.026	2	110.9255	0.001	2	111.1109	0.145	36	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5447	0.028	3	111.5447	0.001	3	111.7178	0.057	5	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9775	0.045	2	111.9775	0.002	2	111.7178	0.057	5	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8155	2.873	2	110.8155	8.254	2	110.8155	8.254	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.7190	0.769	2	109.7190	0.592	2	111.0851	0.195	41	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1055	0.076	13	111.1055	0.006	13	111.0851	0.195	41	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H){2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0830	0.072	6	111.0830	0.005	6	111.0851	0.195	41	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5190	1.614	2	111.2091	0.161	20	111.0851	0.195	41	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1747	0.120	18	111.2091	0.161	20	111.0851	0.195	41	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8420	0.081	5	110.8420	0.007	5	110.8577	0.005	7	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](P[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8970	0.017	2	110.8970	0.000	2	110.8577	0.005	7	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	S[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,5,6](S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>}	C[5,5,6](S[5,5]N[5,5,6]OO)(C[5,6]C[5,6]HH)2(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8585	0.008	2	110.8585	0.000	2	110.8585	0.000	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HI)(H){1|C<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]I)	108.4865	0.025	2	108.4865	0.001	2	108.4865	0.001	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]N[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2{4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6,6]H)	111.3335	0.043	2	111.3335	0.002	2	111.3335	0.002	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	111.0578	0.040	6	111.0578	0.002	6	111.0784	0.003	8	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	111.1400	0.016	2	111.1400	0.000	2	111.0784	0.003	8	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:S[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)(H)2	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H)	H(C[5,6]C[5,5,6]S[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)(H)2{1|C<4>,4|H<1>}	C[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]S[5,6]HH)(H){2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]S[5,6]H)	111.4665	0.028	2	111.4665	0.001	2	111.4665	0.001	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.9980	0.018	2	110.9980	0.000	2	111.0477	0.003	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]P[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.0975	0.009	2	111.0975	0.000	2	111.0477	0.003	4	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1720	0.024	2	111.1720	0.001	2	111.1720	0.001	2	111.1928	1.008	2210	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC){3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	113.8475	3.105	4	113.8475	9.643	4	113.8475	9.643	4	111.5515	3.764	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.5905	2.119	2	109.5905	4.491	2	109.5905	4.491	2	111.5515	3.764	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS){1|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8184	0.126	7	111.8184	0.016	7	111.8184	0.016	7	111.5515	3.764	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0235	1.313	2	111.0235	1.724	2	111.0235	1.724	2	111.5515	3.764	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH){1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.1340	1.510	2	110.1340	2.281	2	110.1340	2.281	2	111.5515	3.764	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7235	1.133	2	110.7235	1.285	2	110.7235	1.285	2	111.5515	3.764	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7600	0.034	2	110.7600	0.001	2	110.7600	0.001	2	111.5515	3.764	21	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C)	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,7|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	112.0820	0.057	2	112.0820	0.003	2	112.0820	0.003	2	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,3x6]2H)(C[5,6]C[5,3x6]HH)2(COO)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2{4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,3x6]2H)(C[5,6]C[5,3x6]HH)2(COO){3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.7543	0.020	3	111.7543	0.000	3	111.7543	0.000	3	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	B[3x5]-4:C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|S<2>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]2H)	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[6a]N[5]H)(COO)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[6a]N[5]H)(COO){1|S<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	110.9520	0.008	2	110.8480	0.014	4	110.9472	0.013	11	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	110.7440	0.006	2	110.8480	0.014	4	110.9472	0.013	11	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0039	0.059	7	111.0039	0.003	7	110.9472	0.013	11	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0585	0.030	2	111.0585	0.001	2	110.9561	0.019	18	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	110.8027	0.063	6	110.8027	0.004	6	110.9561	0.019	18	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	110.9253	0.077	4	110.9765	0.010	6	110.9561	0.019	18	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	111.0790	0.008	2	110.9765	0.010	6	110.9561	0.019	18	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]2H)(C[5]O[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]2H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1035	0.011	2	111.1035	0.000	2	110.9561	0.019	18	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]2H)	111.1055	0.018	2	111.1055	0.000	2	110.9561	0.019	18	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|N<2>,1|N<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5468	0.315	4	111.5468	0.100	4	111.5468	0.100	4	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0456	0.081	8	111.0456	0.007	8	111.0456	0.007	8	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3985	0.009	2	111.3985	0.000	2	111.3985	0.000	2	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CNO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CNO){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6875	1.064	2	110.6875	1.133	2	110.6875	1.133	2	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:N[5,6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6]){3|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4300	0.010	2	111.4300	0.000	2	111.4300	0.000	2	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8995	0.035	2	111.8995	0.001	2	111.8995	0.001	2	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1210	1.809	2	112.1210	3.272	2	112.1210	3.272	2	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|S<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O){4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7860	0.020	2	110.7860	0.000	2	110.7860	0.000	2	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2{1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	111.1745	0.248	62	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	111.2110	0.011	2	111.2110	0.000	2	111.2110	0.000	2	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	111.4665	0.013	2	111.4665	0.000	2	111.4665	0.000	2	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:S[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(S[5]C[5]OO)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|O<1>,3|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(S[5]C[5]OO){3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]2H)	110.6995	0.060	2	110.6995	0.004	2	110.6995	0.004	2	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2{3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.4595	0.021	2	111.4595	0.000	2	111.1700	0.112	4	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.8805	0.025	2	110.8805	0.001	2	111.1700	0.112	4	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(Cl)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(CCl2H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(Cl)(H){2|Cl<1>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(CCl2H){2|Cl<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	107.6670	0.000	1	107.6670	0.000	1	109.4326	6.529	5	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]HH)(CCl2H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]HH)(CCl2H){3|Cl<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	111.7595	1.152	2	111.7595	1.327	2	109.4326	6.529	5	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)2(CH3)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H){1|Cl<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)2(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	107.9885	2.583	2	107.9885	6.672	2	109.4326	6.529	5	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[4,5,6]C[5,6]C[4]O[4])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[4,5,6]C[5,6]C[4]O[4])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<5>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8990	0.021	2	110.8990	0.000	2	110.8990	0.000	2	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8140	0.047	2	110.8140	0.002	2	110.9827	0.021	26	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Se<2>,1|N<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8880	0.025	2	110.8880	0.001	2	110.9827	0.021	26	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9986	0.076	14	110.9986	0.006	14	110.9827	0.021	26	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]S[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<4>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]S[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3540	0.049	2	111.3540	0.002	2	110.9827	0.021	26	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8450	0.019	4	110.8450	0.000	4	110.9827	0.021	26	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0380	0.007	2	111.0380	0.000	2	110.9827	0.021	26	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9339	0.187	7	110.9339	0.035	7	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]HH)(CCl2H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]HH)(CCl2H){3|Cl<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.9105	5.696	4	109.9105	32.445	4	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.9698	3.229	6	112.9698	10.426	6	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9310	0.091	23	110.9863	1.001	47	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8277	0.220	20	110.9863	1.001	47	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8875	0.012	2	110.9863	1.001	47	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.3060	5.795	2	110.9863	1.001	47	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9440	0.256	2	111.0125	0.088	17	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9643	0.107	7	111.0125	0.088	17	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0718	0.419	8	111.0125	0.088	17	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0865	1.133	4	111.0865	1.283	4	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9500	0.000	1	110.9552	0.613	39	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9710	0.068	5	110.9552	0.613	39	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0163	0.072	6	110.9552	0.613	39	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|S<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6363	1.934	6	110.9552	0.613	39	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|Se<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7505	0.045	2	110.9552	0.613	39	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7384	0.207	19	110.9552	0.613	39	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3210	0.476	7	110.3210	0.226	7	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1390	0.060	4	111.0760	0.004	14	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0508	0.047	10	111.0760	0.004	14	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|S<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1135	0.045	2	111.1135	0.002	2	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SnH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|Sn<4>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SnH)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.8552	3.884	6	108.8552	15.089	6	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9347	0.032	4	110.9347	0.001	4	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8072	0.106	4	110.8072	0.011	4	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8540	0.027	2	110.8540	0.001	2	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3158	1.776	13	111.2682	2.718	15	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9585	0.015	2	111.2682	2.718	15	110.9524	2.256	178	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9190	0.097	4	110.9190	0.009	4	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9815	0.005	2	110.9815	0.000	2	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9302	0.099	38	110.9052	0.016	49	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4615	0.029	2	110.9052	0.016	49	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8835	0.022	2	110.9052	0.016	49	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8855	0.030	4	110.9052	0.016	49	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9250	0.043	3	110.9052	0.016	49	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9162	0.417	4	110.9162	0.173	4	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.2220	4.349	2	112.2220	18.911	2	110.9525	0.393	61	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[4]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[4]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Co<9>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8740	0.193	4	110.8740	0.037	4	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|N<2>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9677	0.092	4	110.9677	0.008	4	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9845	0.028	2	110.9845	0.001	2	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1895	0.035	2	111.1895	0.001	2	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	115.0875	1.208	2	115.0875	1.460	2	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7379	0.354	43	110.7379	0.125	43	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9240	0.025	2	110.9240	0.001	2	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8843	0.073	3	110.8843	0.005	3	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7938	0.070	4	110.7938	0.005	4	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8095	0.076	2	110.8260	0.003	4	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8425	0.053	2	110.8260	0.003	4	110.9228	0.628	70	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4960	0.000	1	111.4960	0.000	1	111.4048	4.549	15	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,4|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.0263	0.196	4	111.3983	4.898	14	111.4048	4.549	15	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.5620	4.759	2	111.3983	4.898	14	111.4048	4.549	15	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.4185	3.475	2	111.3983	4.898	14	111.4048	4.549	15	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0610	4.261	2	111.3983	4.898	14	111.4048	4.549	15	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4455	0.023	2	111.3983	4.898	14	111.4048	4.549	15	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|P<4>,4|H<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2485	0.013	2	111.3983	4.898	14	111.4048	4.549	15	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2150	0.035	2	111.2150	0.001	2	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1340	0.086	2	111.1340	0.007	2	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7487	0.078	3	111.7487	0.006	3	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4985	0.016	2	111.4985	0.000	2	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5920	0.014	2	111.5920	0.000	2	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|S<4>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH){2|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7220	0.000	1	111.7220	0.000	1	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|F<1>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|F<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8845	0.076	2	111.8005	0.006	6	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7585	0.024	4	111.8005	0.006	6	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7200	0.042	2	111.7200	0.002	2	111.6045	0.061	20	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.4450	0.397	2	109.4450	0.158	2	109.4450	0.158	2	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{4|H<1>,6|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3){2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4835	0.624	2	110.4835	0.390	2	110.4835	0.390	2	110.9749	1.506	391	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	5:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]PdH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2025	0.015	2	111.2025	0.000	2	111.0418	0.024	6	111.0418	0.024	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	5:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,1|O<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8715	0.056	2	110.9615	0.013	4	111.0418	0.024	6	111.0418	0.024	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:1:1:	5:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-5:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<4>,1|O<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0515	0.070	2	110.9615	0.013	4	111.0418	0.024	6	111.0418	0.024	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	110.8080	0.694	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	110.8080	0.694	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.3410	0.000	1	111.3410	0.000	1	111.3410	0.000	1	111.3410	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:3:2:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]O[6])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]O[6])	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.3590	0.000	1	110.3590	0.000	1	110.2243	0.854	3	110.0982	0.633	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.1570	1.297	2	110.1570	1.682	2	110.2243	0.854	3	110.0982	0.633	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	110.0982	0.633	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]O[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	108.0140	0.332	2	108.0140	0.110	2	108.0140	0.110	2	108.2495	0.726	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	108.2495	0.726	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	108.2495	0.726	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:S[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH){1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.9740	0.000	1	109.9740	0.000	1	110.7380	1.167	2	110.8317	1.276	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<4>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3){1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.5020	0.000	1	111.5020	0.000	1	110.7380	1.167	2	110.8317	1.276	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H){1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	109.7800	0.000	1	109.7800	0.000	1	110.9255	2.624	2	110.8317	1.276	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H){1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	112.0710	0.000	1	112.0710	0.000	1	110.9255	2.624	2	110.8317	1.276	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.8035	1.182	4	110.8035	1.397	4	110.8035	1.397	4	110.8035	1.397	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:3:2:2:	4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2	H(C[5,6]C[5,5,6]C[5,6]O[5])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2{1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.9300	0.000	2	109.9300	0.000	2	109.9300	0.000	2	109.9300	0.000	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]2C)	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H)	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.1155	0.719	2	109.1155	0.517	2	109.1155	0.517	2	109.5290	0.772	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	109.5290	0.772	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]2O)	111.5940	0.000	1	111.5940	0.000	1	111.2387	3.019	4	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]2O)	108.9410	0.000	1	108.9410	0.000	1	111.2387	3.019	4	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]2O)	113.1490	0.000	1	113.1490	0.000	1	111.2387	3.019	4	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]2O)	111.2710	0.000	1	111.2710	0.000	1	111.2387	3.019	4	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]2O)	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H){2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]2O)	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]2S)	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]2S)	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Se-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2Se)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SeH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]2Se)	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.2695	2.150	4	112.2695	4.623	4	112.2695	4.623	4	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.0380	0.000	1	111.0380	0.000	1	110.4215	0.748	8	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.2490	0.000	1	109.2490	0.000	1	110.4215	0.748	8	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.6135	0.350	2	110.6135	0.123	2	110.4215	0.748	8	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.5655	0.200	2	109.5655	0.040	2	110.4215	0.748	8	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.3635	0.052	2	111.3635	0.003	2	110.4215	0.748	8	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H)	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H){2|C<4>,2|F<1>}	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.4720	0.000	1	111.4720	0.000	1	111.4720	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.4760	0.000	1	110.4823	0.063	9	110.5247	0.074	10	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.1340	0.000	1	110.4823	0.063	9	110.5247	0.074	10	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.5252	0.269	6	110.4823	0.063	9	110.5247	0.074	10	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.5800	0.000	1	110.4823	0.063	9	110.5247	0.074	10	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.9060	0.000	1	110.9060	0.000	1	110.5247	0.074	10	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]S)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,2|C<4>,2|F<1>}	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]S)	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	110.8159	1.804	34	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H){2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	109.2115	6.880	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2O)	105.8790	0.000	1	109.2870	10.286	3	109.2870	10.286	3	109.2115	6.880	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]2O)	110.9910	1.775	2	109.2870	10.286	3	109.2870	10.286	3	109.2115	6.880	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	110.3955	1.145	4	110.3955	1.312	4	110.3955	1.312	4	110.1465	0.937	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H){4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.6485	0.080	2	109.6485	0.006	2	109.6485	0.006	2	110.1465	0.937	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.1090	0.128	3	111.1090	0.016	3	110.2895	2.697	4	110.4634	1.419	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H)	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|S<2>,2|F<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	107.8310	0.000	1	107.8310	0.000	1	110.2895	2.697	4	110.4634	1.419	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.8255	0.192	2	110.8255	0.037	2	110.8255	0.037	2	110.4634	1.419	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	110.4634	1.419	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]O)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2O)	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.5747	1.745	4	111.5747	3.043	4	111.5747	3.043	4	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.6505	0.155	2	111.6505	0.024	2	111.6483	0.012	3	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.6440	0.000	1	111.6440	0.000	1	111.6483	0.012	3	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.7613	0.193	4	112.7613	0.037	4	112.7613	0.037	4	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]O[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]O[6])	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.1320	0.000	1	110.1320	0.000	1	109.7790	0.249	2	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.4260	0.000	1	109.4260	0.000	1	109.7790	0.249	2	111.2109	4.261	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[3x5]-4:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.2040	0.000	1	108.2040	0.000	1	108.2040	0.000	1	108.6515	0.819	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.1610	0.000	1	109.1610	0.000	1	109.3900	0.105	2	108.6515	0.819	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.6190	0.000	1	109.6190	0.000	1	109.3900	0.105	2	108.6515	0.819	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC)	H(C[5,6]C[5,5,6]C[5,6,6]S)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC){3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]S)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	108.6515	0.819	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.9455	0.207	4	109.9455	0.043	4	109.9455	0.043	4	109.6816	0.380	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	109.6816	0.380	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[4x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H)	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[3x5,6]C[5,5,6]O)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H){4|H<1>,5|C<4>}	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]O)	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[3x5,6]C[5,5,6]O)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]O)	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	114.6030	0.000	1	114.6030	0.000	1	113.1275	4.354	2	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	111.6520	0.000	1	111.6520	0.000	1	113.1275	4.354	2	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H)	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2S)	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:Se-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H)	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2Se)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]SeH)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2Se)	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	110.8020	0.000	1	110.6350	0.056	2	110.6350	0.056	2	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	110.4680	0.000	1	110.6350	0.056	2	110.6350	0.056	2	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(CN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(CN)(H){1|Br<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.5060	0.000	1	108.5060	0.000	1	109.6780	1.030	3	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|I<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.2640	0.016	2	110.2640	0.000	2	109.6780	1.030	3	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<2>,1|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	114.4380	0.000	1	114.4380	0.000	1	112.0195	2.453	6	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.9070	2.120	2	111.9070	4.494	2	112.0195	2.453	6	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.2883	0.383	3	111.2883	0.146	3	112.0195	2.453	6	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.1200	0.000	1	109.8667	0.054	3	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.7400	0.110	2	109.8667	0.054	3	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.5490	0.000	1	111.2150	0.223	2	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.8810	0.000	1	111.2150	0.223	2	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.3450	0.000	1	110.3450	0.000	1	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.9930	0.164	2	110.9930	0.027	2	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.0865	0.321	4	111.0865	0.103	4	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.2695	0.013	2	110.2695	0.000	2	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	108.7233	0.053	3	108.7233	0.003	3	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.5910	0.000	1	110.5910	0.000	1	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PtH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PtH)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pt<6>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.1790	0.000	1	110.1790	0.000	1	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Si<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.2800	0.000	1	111.2800	0.000	1	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.7600	0.000	1	112.7600	0.000	1	110.4870	1.009	21	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.4105	0.142	2	109.4105	0.020	2	109.4105	0.020	2	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.9720	0.000	1	107.9720	0.000	1	107.2680	0.991	2	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	106.5640	0.000	1	106.5640	0.000	1	107.2680	0.991	2	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.9395	0.401	4	108.9395	0.161	4	108.9395	0.161	4	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,2|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.4840	0.000	1	109.1110	0.278	2	108.7664	0.106	7	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.7380	0.000	1	109.1110	0.278	2	108.7664	0.106	7	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.7070	0.000	1	108.7070	0.000	1	108.7664	0.106	7	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.6090	0.079	4	108.6090	0.006	4	108.7664	0.106	7	110.1972	2.329	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5]){4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	109.4960	0.166	4	109.4960	0.028	4	109.4960	0.028	4	109.5310	0.060	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	109.5310	0.060	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	109.5310	0.060	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.7465	0.033	2	109.7465	0.001	2	109.7465	0.001	2	109.5310	0.060	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5]){4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.4485	0.196	4	109.4485	0.038	4	109.4447	0.068	6	109.5310	0.060	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.7730	0.000	1	109.7730	0.000	1	109.4447	0.068	6	109.5310	0.060	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	109.1010	0.000	1	109.1010	0.000	1	109.4447	0.068	6	109.5310	0.060	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	B[3x5]-4:C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H)	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]2S)	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	109.5815	1.240	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:N[5,6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H)	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])	H(C[5,6]C[5,5,6]C[5,6]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6]){3|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O[6])	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	109.5815	1.240	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H){2|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]O)	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]2O)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]2O)	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	108.2790	0.000	1	108.2790	0.000	1	109.6764	2.652	5	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	108.3030	0.000	1	108.3030	0.000	1	109.6764	2.652	5	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	109.7710	0.000	1	110.6000	2.104	3	109.6764	2.652	5	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]2O)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){3|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2O)	111.0145	1.783	2	110.6000	2.104	3	109.6764	2.652	5	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.0125	0.439	2	109.0125	0.193	2	109.0125	0.193	2	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.2410	0.000	1	109.2410	0.000	1	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	108.3897	1.406	6	108.3897	1.978	6	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.4650	0.000	1	109.4650	0.000	1	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.1603	0.560	3	109.1603	0.314	3	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.4510	0.000	1	109.4510	0.000	1	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.0517	2.306	4	111.0517	5.319	4	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.4585	1.176	4	110.4585	1.384	4	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.2180	1.861	2	112.2180	3.464	2	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	115.4502	0.586	6	115.4502	0.343	6	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.5675	4.207	2	110.5675	17.695	2	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.7625	0.524	2	109.7625	0.275	2	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.2770	0.000	1	111.2770	0.000	1	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.2185	0.114	2	109.2185	0.013	2	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|S<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.3710	0.981	3	109.3710	0.962	3	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|Se<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.2030	0.000	1	110.2030	0.000	1	110.7139	6.654	39	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O[5])	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	109.7140	0.113	2	109.7140	0.013	2	109.7140	0.013	2	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(CHHS)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(CHHS){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH)	H(C[5,6]C[5,5,6]C[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]O[6])	111.6555	0.192	2	111.6555	0.037	2	111.6555	0.037	2	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	109.6135	0.351	2	109.6135	0.124	2	108.0902	6.034	5	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	103.9040	0.000	1	103.9040	0.000	1	108.0902	6.034	5	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	108.6600	1.095	2	108.6600	1.198	2	108.0902	6.034	5	110.1832	5.927	59	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H){1|Si<4>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	110.2227	0.078	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.1555	0.360	2	110.1555	0.130	2	110.1555	0.130	2	110.2227	0.078	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:3:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5,6]-4:O[5,5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H){1|O<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	108.4630	0.944	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H){1|O<1>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){4|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	108.4630	0.944	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.3050	0.000	1	111.3050	0.000	1	110.6867	0.296	3	110.4142	1.480	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.4750	0.000	1	110.4750	0.000	1	110.6867	0.296	3	110.4142	1.480	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.2800	0.000	1	110.2800	0.000	1	110.6867	0.296	3	110.4142	1.480	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	110.4142	1.480	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	110.4142	1.480	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.3573	0.335	3	111.3573	0.112	3	111.3573	0.112	3	110.4142	1.480	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H){1|S<2>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,1|S<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.0084	0.195	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H)	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.0084	0.195	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8017	0.700	3	108.8017	0.490	3	108.8017	0.490	3	109.0084	0.195	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.0165	0.276	4	109.0165	0.076	4	109.0165	0.076	4	109.0084	0.195	9	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,9|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	N[3x5,6]-3:C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]2C)	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	108.8605	1.903	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	S[5,5]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HH)(CCO)(H)	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	108.8605	1.903	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<2>,1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3360	0.000	1	108.3360	0.000	1	109.0230	1.373	6	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.0480	0.000	1	111.0480	0.000	1	109.0230	1.373	6	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8000	1.295	2	108.6885	0.615	4	109.0230	1.373	6	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.5770	0.344	2	108.6885	0.615	4	109.0230	1.373	6	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Cd<6>,1|C<4>,3|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Cd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1660	0.212	2	109.1660	0.045	2	109.6177	0.101	9	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Co<6>,1|C<4>,3|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Co)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6687	0.126	3	109.6687	0.016	3	109.6177	0.101	9	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Mn<6>,1|C<4>,3|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Mn)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.7010	0.317	2	109.7010	0.100	2	109.6177	0.101	9	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	O[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Ni<6>,1|C<4>,3|H<1>}	C[5,5,6](O[5,5]C[5,5,6]Ni)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.9095	0.186	2	109.9095	0.035	2	109.6177	0.101	9	109.3193	0.655	16	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.1637	0.109	3	109.1637	0.012	3	109.1637	0.012	3	109.1637	0.012	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.9065	0.049	2	106.9065	0.002	2	106.9065	0.002	2	107.7265	2.875	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5a,6]-3:C[5,6]-4:C[5,5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	107.7265	2.875	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	107.7265	2.875	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)(H){1|W<7>,2|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0385	1.849	2	109.0385	3.419	2	108.4813	1.112	10	108.8492	1.333	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8010	0.783	4	108.8010	0.612	4	108.4813	1.112	10	108.8492	1.333	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.8830	0.874	4	107.8830	0.764	4	108.4813	1.112	10	108.8492	1.333	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.8260	0.000	1	110.8260	0.000	1	110.2947	0.397	3	108.8492	1.333	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.0290	0.608	2	110.0290	0.370	2	110.2947	0.397	3	108.8492	1.333	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.6220	0.000	1	108.5205	0.021	2	108.5205	0.021	2	108.8492	1.333	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.4190	0.000	1	108.5205	0.021	2	108.5205	0.021	2	108.8492	1.333	15	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.2820	0.480	7	109.2820	0.230	7	109.2152	0.670	16	109.4238	1.098	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.3586	0.916	8	109.1632	1.078	9	109.2152	0.670	16	109.4238	1.098	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	107.6000	0.000	1	109.1632	1.078	9	109.2152	0.670	16	109.4238	1.098	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.9363	0.677	4	109.9363	0.458	4	109.9802	2.089	6	109.4238	1.098	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H){2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	112.1950	0.000	1	112.1950	0.000	1	109.9802	2.089	6	109.4238	1.098	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.9410	0.000	1	107.9410	0.000	1	109.9802	2.089	6	109.4238	1.098	22	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	108.1600	0.351	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H)	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H){1|N<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	108.1600	0.351	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(CNO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	110.4720	0.150	2	110.4720	0.022	2	110.0663	0.505	3	108.6646	0.949	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.2550	0.000	1	109.2550	0.000	1	110.0663	0.505	3	108.6646	0.949	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H){2|N<3>,2|O<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]2C)	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	108.6646	0.949	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH){1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9940	0.445	2	108.9940	0.198	2	108.9940	0.198	2	108.6646	0.949	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,1|N<3>,1|O<1>}	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3983	0.861	3	108.3983	0.741	3	108.3983	0.741	3	108.6646	0.949	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.6646	0.949	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.9963	0.402	4	107.9963	0.162	4	107.9963	0.162	4	108.6646	0.949	14	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	H(C[5,6]C[5,5,6]2C)	108.9470	0.000	1	108.9470	0.000	1	109.2096	1.258	5	109.3844	0.953	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	H(C[5,6]C[5,5,6]2C)	109.3535	2.105	2	109.3535	4.431	2	109.2096	1.258	5	109.3844	0.953	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	H(C[5,6]C[5,5,6]2C)	108.7010	0.000	1	108.7010	0.000	1	109.2096	1.258	5	109.3844	0.953	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	H(C[5,6]C[5,5,6]2C)	109.6930	0.000	1	109.6930	0.000	1	109.2096	1.258	5	109.3844	0.953	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.8215	0.390	2	109.8215	0.152	2	109.8215	0.152	2	109.3844	0.953	7	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0575	0.045	2	107.5298	1.226	4	107.5298	1.226	4	107.5298	1.226	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.0020	1.601	2	107.5298	1.226	4	107.5298	1.226	4	107.5298	1.226	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:2:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.2870	0.786	3	107.2870	0.618	3	107.2870	0.618	3	107.7288	0.642	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.6380	0.000	1	108.6380	0.000	1	108.1707	0.402	3	107.7288	0.642	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9370	0.690	2	107.9370	0.476	2	108.1707	0.402	3	107.7288	0.642	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	H(C[5,6]C[5,5,6]2C)	109.1545	0.019	2	109.1545	0.000	2	109.3710	0.184	6	109.3053	0.146	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6]Co)(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|Co<5>,1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	H(C[5,6]C[5,5,6]2C)	109.4795	0.882	2	109.4795	0.778	2	109.3710	0.184	6	109.3053	0.146	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:S[5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6]Co)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	H(C[5,6]C[5,5,6]2C)	109.4790	0.000	2	109.4790	0.000	2	109.3710	0.184	6	109.3053	0.146	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1080	0.000	2	109.1080	0.000	2	109.1080	0.000	2	109.3053	0.146	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(CC[6a]O)(H)	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]2C)	107.8750	0.000	1	107.8750	0.000	1	107.7820	0.017	2	107.5020	0.183	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H)	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H){2|N<3>,2|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]2C)	107.6890	0.000	1	107.6890	0.000	1	107.7820	0.017	2	107.5020	0.183	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2220	0.467	2	107.2220	0.218	2	107.2220	0.218	2	107.5020	0.183	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH){3|H<1>,4|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[5])	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.4705	0.063	2	108.4705	0.004	2	108.4705	0.004	2	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	105.7345	1.295	2	105.7345	1.676	2	105.7345	1.676	2	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6,6]N[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6,6]N[5])	108.6705	0.725	2	108.6705	0.525	2	108.6705	0.525	2	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	108.2181	2.669	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	112.1440	0.000	1	112.1440	0.000	1	110.1925	0.846	10	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	110.0007	0.690	8	110.0007	0.477	8	110.1925	0.846	10	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(O[5,5]N[3x5,6])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]2C)	109.7750	0.000	1	109.7750	0.000	1	110.1925	0.846	10	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrN)(COO)(H)	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrN)(COO)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.3480	0.000	1	110.3480	0.000	1	108.9054	2.718	11	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.2551	1.093	8	109.2551	1.195	8	108.9054	2.718	11	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|I<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.6240	0.000	1	108.6240	0.000	1	108.9054	2.718	11	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H){1|C<3>,1|I<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	104.9460	0.000	1	104.9460	0.000	1	108.9054	2.718	11	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	109.2225	0.134	2	109.2225	0.018	2	109.2225	0.018	2	109.4926	1.984	23	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	113.0570	0.000	1	113.0570	0.000	1	112.5998	0.553	4	112.4547	0.382	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<1>,4|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.0740	0.737	2	112.4473	0.690	3	112.5998	0.553	4	112.4547	0.382	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	113.1940	0.000	1	112.4473	0.690	3	112.5998	0.553	4	112.4547	0.382	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5,6a])2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5,6a])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	112.4547	0.382	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])2	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])2{2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.4547	0.382	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(COO)(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(COO)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	110.0165	0.015	2	110.0165	0.000	2	110.0165	0.000	2	110.0165	0.000	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(NCH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(NCH)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	106.4180	0.280	2	106.4180	0.078	2	106.4180	0.078	2	105.9137	0.378	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,5,6]-4:P[5,5,6]-4:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,5,6]P[5,5,6]C[6a])	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]P[5,5,6]C[6a])	105.4095	0.199	2	105.4095	0.039	2	105.4095	0.039	2	105.9137	0.378	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[3,5,6]C[5,5,6]C)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<3>,8|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[5,5,6]C)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	107.8790	0.000	1	107.8790	0.000	1	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	106.9840	0.000	1	106.9840	0.000	1	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	105.5440	0.000	1	105.5440	0.000	1	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(CNO)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]2C)	110.5105	0.141	2	110.5105	0.020	2	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(COO)(H)	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.1970	0.000	1	109.1970	0.000	1	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(H){1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	112.1810	0.000	1	112.1810	0.000	1	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	109.2989	0.496	8	109.2989	0.246	8	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	108.7425	0.002	2	109.9463	0.909	6	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	110.5482	0.258	4	109.9463	0.909	6	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	110.1695	1.071	2	109.5192	0.693	9	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	109.3160	0.962	4	109.5192	0.693	9	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	108.9300	0.000	1	109.5192	0.693	9	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	109.5700	0.506	2	109.5192	0.693	9	109.4183	1.624	30	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	105.1940	0.000	1	105.1940	0.000	1	105.1940	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	108.9170	0.000	1	109.0627	0.017	3	109.3092	0.534	11	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.1355	0.050	2	109.0627	0.017	3	109.3092	0.534	11	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.3795	1.996	2	109.3218	1.231	5	109.3092	0.534	11	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	108.8150	0.000	1	109.3218	1.231	5	109.3092	0.534	11	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|Co<5>,1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.5175	0.773	2	109.3218	1.231	5	109.3092	0.534	11	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.7220	0.000	1	109.5347	0.026	3	109.3092	0.534	11	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|Co<7>,1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	109.4410	0.000	2	109.5347	0.026	3	109.3092	0.534	11	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]2C[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]2C[6a])	105.6060	0.000	1	105.6060	0.000	1	105.6060	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	105.7310	0.000	1	105.7310	0.000	1	105.7310	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.6887	0.468	3	107.6887	0.219	3	107.6887	0.219	3	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(COO)(H){4|Cl<1>,1|C<3>}	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1570	1.085	14	108.1570	1.177	14	108.3982	1.966	15	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H){4|Cl<1>,1|C<3>}	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.7750	0.000	1	111.7750	0.000	1	108.3982	1.966	15	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.0294	0.822	5	108.0294	0.676	5	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.4800	0.000	1	109.3765	2.435	2	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2730	0.000	1	109.3765	2.435	2	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1245	0.480	2	109.1245	0.231	2	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	113.1930	0.000	1	113.1930	0.000	1	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1123	1.482	13	108.1123	2.195	13	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Si<4>,1|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.5820	0.000	1	107.5820	0.000	1	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|Si<4>,1|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.0080	0.000	1	106.0080	0.000	1	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8602	0.442	4	108.8602	0.195	4	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1707	0.650	3	109.1707	0.422	3	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7560	0.000	1	107.7560	0.000	1	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.4455	0.658	4	109.4455	0.433	4	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7910	0.614	2	108.7910	0.377	2	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.8857	3.398	3	106.8857	11.546	3	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7770	0.000	1	108.7770	0.000	1	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8930	0.000	1	108.8930	0.000	1	108.4953	2.479	44	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.0770	0.000	1	108.0770	0.000	1	108.4042	0.320	5	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.3180	0.000	1	109.3180	0.000	1	108.4042	0.320	5	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2087	0.334	3	108.2087	0.111	3	108.4042	0.320	5	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H){3|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.3970	1.089	3	107.3970	1.185	3	107.9869	1.418	8	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.4290	0.000	1	107.5495	0.029	2	107.9869	1.418	8	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.6700	0.000	1	107.5495	0.029	2	107.9869	1.418	8	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	110.3410	0.000	1	108.8683	1.885	3	107.9869	1.418	8	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1320	0.718	2	108.8683	1.885	3	107.9869	1.418	8	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	108.6871	2.204	129	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(CC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN){1|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]2C)	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.9120	0.000	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	107.9120	0.000	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CCC)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CCC){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.4135	1.345	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H){1|C<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	108.4135	1.345	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	108.4135	1.345	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	108.4135	1.345	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO){2|C<2>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	108.4135	1.345	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO)	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	108.4135	1.345	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.0930	0.000	1	108.0930	0.000	1	108.2500	0.049	2	108.8729	0.320	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.4070	0.000	1	108.4070	0.000	1	108.2500	0.049	2	108.8729	0.320	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NOO)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NOO)(H){1|C<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.1790	0.161	8	109.1790	0.026	8	109.1790	0.026	8	108.8729	0.320	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	108.8729	0.320	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,5,6]C)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<4>,9|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,5,6]C)	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,4,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[4,4,6]C[5,5,6]C[5])	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[4,4,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[4,4,6]C[5,5,6]C[5])	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[4,5,6]C[5,5,6]C[5])	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[4,5,6]C[5]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[4,5,6]C[5,5,6]C[5])	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]2C)	110.6400	0.000	1	110.6400	0.000	1	109.2240	4.010	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H){1|C<4>,9|H<1>}	H(C[5,6]C[5,5,6]2C)	107.8080	0.000	1	107.8080	0.000	1	109.2240	4.010	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(COO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2C)	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CNO)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	107.7690	0.000	1	107.7690	0.000	1	107.6693	1.173	3	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	108.6990	0.000	1	108.6990	0.000	1	107.6693	1.173	3	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	106.5400	0.000	1	106.5400	0.000	1	107.6693	1.173	3	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(COO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	105.5780	0.000	1	105.5780	0.000	1	105.5780	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)	H(C[5,6]C[5,5,6]2C[6a])	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	H(C[5,6]C[5,5,6]2C[6a])	106.2602	0.407	4	106.2602	0.165	4	106.2602	0.165	4	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]2S[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6]C)(H){1|O<1>,6|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2S[5,6])	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	107.3905	0.131	2	107.3905	0.017	2	107.3905	0.017	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:B-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]B)	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.6395	2.058	2	108.6395	4.237	2	108.6395	4.237	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(COO)(H){1|Br<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.7300	0.000	1	109.7300	0.000	1	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.5090	0.489	2	109.5090	0.239	2	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7739	2.021	8	108.7739	4.083	8	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1022	0.739	4	109.1022	0.547	4	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3720	2.732	2	108.3720	7.465	2	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(COO)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7910	4.055	2	107.7910	16.439	2	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2370	0.000	1	108.2370	0.000	1	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0315	0.122	2	109.0315	0.015	2	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.0675	0.846	4	110.0675	0.715	4	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<4>,1|S<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HS)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.8350	0.000	1	106.8350	0.000	1	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.0750	0.000	1	110.0750	0.000	1	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.0540	0.000	1	110.0540	0.000	1	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|Pd<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0045	0.698	2	109.0045	0.487	2	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Pd<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PdH)(C[5,6]C[5,6]CH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4740	0.000	1	107.4740	0.000	1	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1610	0.000	1	108.1610	0.000	1	108.9349	2.413	33	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2395	0.111	2	108.2395	0.012	2	108.2395	0.012	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H)	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H){2|C<4>,3|O<2>,4|H<1>}	C[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	109.1080	0.000	1	109.1080	0.000	1	108.7880	0.205	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	108.4680	0.000	1	108.4680	0.000	1	108.7880	0.205	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[6]H)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(H){2|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.4230	0.000	1	107.4230	0.000	1	106.7518	2.064	8	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.8855	0.128	2	107.8855	0.016	2	106.7518	2.064	8	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.3800	0.000	1	107.3800	0.000	1	106.7518	2.064	8	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.2530	0.000	1	108.2530	0.000	1	106.7518	2.064	8	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.1740	0.000	1	105.1740	0.000	1	106.7518	2.064	8	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	104.7040	0.000	1	104.7040	0.000	1	106.7518	2.064	8	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.3090	0.000	1	105.3090	0.000	1	106.7518	2.064	8	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.7835	0.097	2	107.7835	0.009	2	107.7835	0.009	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.1820	0.000	1	109.1820	0.000	1	109.2188	1.819	9	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	110.4600	0.000	1	110.4600	0.000	1	109.2188	1.819	9	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	107.3320	0.000	1	107.3320	0.000	1	109.2188	1.819	9	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.4110	0.000	1	108.4110	0.000	1	109.2188	1.819	9	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.7470	0.223	2	108.7470	0.050	2	109.2188	1.819	9	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	112.0840	0.000	1	112.0840	0.000	1	109.2188	1.819	9	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.0030	0.008	2	109.0030	0.000	2	109.2188	1.819	9	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]N[5,6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]N[5,6]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[5,6])	109.0080	0.187	2	109.0080	0.035	2	109.0080	0.035	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.6990	0.000	1	107.8590	16.131	2	107.8590	16.131	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	105.0190	0.000	1	107.8590	16.131	2	107.8590	16.131	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	109.8450	1.564	2	109.8450	2.446	2	108.9437	3.660	3	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.1410	0.000	1	107.1410	0.000	1	108.9437	3.660	3	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Se-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]Se)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SeH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Se)	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H){1|S<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.1040	0.000	1	107.1040	0.000	1	107.3000	0.077	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(C[5,5]C[5]2H)(H){1|O<1>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.4960	0.000	1	107.4960	0.000	1	107.3000	0.077	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7690	0.000	1	107.7690	0.000	1	107.5355	0.109	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3020	0.000	1	107.3020	0.000	1	107.5355	0.109	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3500	0.051	4	107.3500	0.003	4	107.3500	0.003	4	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	110.5940	0.000	2	110.5940	0.000	2	110.5940	0.000	2	108.3152	2.485	102	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5]-4:C[5,6]-4:C[5,6]-4:O[5,5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	107.8170	1.514	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	107.8170	1.514	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	107.8170	1.514	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO)	H(C[5,6]C[5,5,6]2C[6a])	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO){2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]2C[6a])	106.2512	0.400	4	106.2512	0.160	4	106.2512	0.160	4	106.8419	1.616	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5,6]C[5,5,6]2C[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]2C[6a])	105.6150	0.000	1	105.6150	0.000	1	105.6150	0.000	1	106.8419	1.616	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:S[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)	H(C[5,6]C[5,5,6]2S[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6]C)(H){1|O<1>,6|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,5,6]S[5,6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O){4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]2S[5,6])	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	106.8419	1.616	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	106.8419	1.616	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<4>,9|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	106.8419	1.616	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.3050	0.000	1	105.3050	0.000	1	105.5793	0.059	3	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.7165	0.069	2	105.7165	0.005	2	105.5793	0.059	3	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	107.0670	0.000	1	107.0670	0.000	1	108.0885	0.491	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.4290	0.203	3	108.4290	0.041	3	108.0885	0.491	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	106.9630	0.126	2	106.9630	0.016	2	106.9630	0.016	2	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H)	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[5])	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H)	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H){2|N<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[5a])	106.9550	0.416	2	106.9550	0.173	2	106.9550	0.173	2	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	104.1220	0.000	1	104.0155	0.023	2	104.8822	1.111	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	103.9090	0.000	1	104.0155	0.023	2	104.8822	1.111	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H)	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H){1|Pd<4>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	105.7490	0.552	2	105.7490	0.304	2	104.8822	1.111	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.3265	1.019	2	112.3265	1.038	2	112.3265	1.038	2	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	H(C[5,6]C[5,5,6]P[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]P[5,6]C[6a])	108.1160	0.000	1	108.1160	0.000	1	108.2775	0.078	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	H(C[5,6]C[5,5,6]P[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]P[5,6]C[6a])	108.1510	0.066	2	108.1510	0.004	2	108.2775	0.078	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	H(C[5,6]C[5,5,6]P[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]P[5,6]C[6a])	108.6920	0.000	1	108.6920	0.000	1	108.2775	0.078	4	107.4149	4.926	24	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.1990	0.000	1	110.1990	0.000	1	108.7150	4.405	2	108.5664	1.072	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2310	0.000	1	107.2310	0.000	1	108.7150	4.405	2	108.5664	1.072	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{10|H<1>,1|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0430	1.854	2	108.5478	0.918	16	108.5478	0.918	16	108.5664	1.072	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.4771	0.867	14	108.5478	0.918	16	108.5478	0.918	16	108.5664	1.072	18	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.7320	0.163	2	110.7320	0.026	2	110.7320	0.026	2	108.5538	5.472	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C[3])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){1|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[3])	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	108.5538	5.472	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Si)	106.1415	0.718	2	106.1415	0.515	2	106.1415	0.515	2	108.5538	5.472	5	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:2:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H)	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]2S)	106.2800	0.000	1	106.2800	0.000	1	106.2800	0.000	1	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7000	0.000	1	109.3443	0.612	7	109.5216	0.599	9	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0010	0.000	1	109.3443	0.612	7	109.5216	0.599	9	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.6740	0.173	2	109.3443	0.612	7	109.5216	0.599	9	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.8640	0.000	1	109.3443	0.612	7	109.5216	0.599	9	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.7485	0.071	2	109.3443	0.612	7	109.5216	0.599	9	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.8820	0.000	1	110.1420	0.135	2	109.5216	0.599	9	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.4020	0.000	1	110.1420	0.135	2	109.5216	0.599	9	109.1974	1.584	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:O[5,5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6])	H(C[5,6]C[5,5,6]C[5,6]C[3])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[3])	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	107.8580	0.275	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	107.8580	0.275	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.8130	0.000	1	111.2873	19.723	3	111.2873	19.723	3	109.0323	14.115	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	112.0245	6.015	2	111.2873	19.723	3	111.2873	19.723	3	109.0323	14.115	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<3>,1|H<1>,1|P<4>}	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	106.7773	0.557	3	106.7773	0.310	3	106.7773	0.310	3	109.0323	14.115	6	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	107.2967	0.197	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	107.6250	0.000	1	107.5495	0.011	2	107.5495	0.011	2	107.2967	0.197	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	107.4740	0.000	1	107.5495	0.011	2	107.5495	0.011	2	107.2967	0.197	3	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H){1|Br<1>,1|C<3>,1|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	112.9570	0.263	2	112.9570	0.069	2	112.9570	0.069	2	112.9570	0.069	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	109.6045	0.400	2	109.6045	0.160	2	109.6045	0.160	2	109.6045	0.160	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	105.4970	5.288	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Si)	103.8710	0.000	1	103.8710	0.000	1	103.8710	0.000	1	105.4970	5.288	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2C)	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.3407	0.470	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	107.3407	0.470	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.3407	0.470	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	107.3407	0.470	4	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH)	H(C[5,6]C[5,5,6]C[5,5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH){1|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,5]C[6])	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]CH)(O[5,6]C[5,6])(H){1|C<2>,1|N<2>,2|C<3>}	H(C[5,6]C[5,5,6]2C)	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	107.6441	7.005	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]2C[5,6])	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[5,6]H)(O[5]C[5])(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2C[5,6])	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	107.6441	7.005	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.6441	7.005	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.3680	0.008	2	109.3680	0.000	2	107.8814	11.973	5	107.6441	7.005	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	104.2915	0.025	2	104.2915	0.001	2	107.8814	11.973	5	107.6441	7.005	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H)	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H){1|C<3>,1|I<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	112.0880	0.000	1	112.0880	0.000	1	107.8814	11.973	5	107.6441	7.005	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2{3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]2S)	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	109.2120	16.948	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	109.2120	16.948	2	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	105.4820	0.000	1	105.4820	0.000	1	105.4820	0.000	1	105.4820	0.000	1	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	104.6740	0.328	2	104.6740	0.108	2	105.1690	0.232	5	106.4645	3.595	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	105.4990	0.041	3	105.4990	0.002	3	105.1690	0.232	5	106.4645	3.595	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:P-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	109.1660	0.000	1	109.1805	0.000	2	109.1805	0.000	2	106.4645	3.595	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:P-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	109.1950	0.000	1	109.1805	0.000	2	109.1805	0.000	2	106.4645	3.595	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6]N[5,5,6]HH)(SC[6a]OO)(H)	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HS)(O[5,5]N[5,5,6])(SC[6a]OO)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6]N[5,5,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HS)(O[5,5]N[5,5,6])(SC[6a]OO){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	106.4645	3.595	8	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H)	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	H(C[5,6]C[5,5,6]C[3,5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[3,5]C[6])	109.8762	0.123	4	109.8762	0.015	4	109.8762	0.015	4	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	106.0380	0.229	2	106.0380	0.052	2	106.0380	0.052	2	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.3210	1.608	2	107.3210	2.586	2	107.3210	2.586	2	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[3x5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|O<2>}	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.6195	0.245	2	107.6195	0.060	2	107.6195	0.060	2	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[3x5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,2|H<1>,2|O<2>}	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7348	0.319	4	107.7348	0.102	4	107.7348	0.102	4	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){4|Cl<1>,1|C<3>}	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1905	0.081	2	108.1905	0.007	2	107.4599	4.219	16	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4430	0.218	2	107.4430	0.047	2	107.4599	4.219	16	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){4|Cl<1>,1|C<3>}	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.1499	2.694	8	107.1499	7.258	8	107.4599	4.219	16	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){2|Cl<1>,1|C<3>,2|O<2>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7233	1.854	4	107.7233	3.437	4	107.4599	4.219	16	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.3700	0.000	1	107.3700	0.000	1	108.5643	3.606	11	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	105.2380	0.000	1	105.2380	0.000	1	108.5643	3.606	11	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.0745	2.115	4	110.0745	4.472	4	108.5643	3.606	11	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1020	0.150	4	108.1020	0.023	4	108.5643	3.606	11	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8930	0.000	1	108.8930	0.000	1	108.5643	3.606	11	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.7135	0.381	2	110.7135	0.145	2	110.4319	0.837	8	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.8240	0.000	1	110.8240	0.000	1	110.4319	0.837	8	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	108.2040	0.000	1	108.2040	0.000	1	110.4319	0.837	8	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.7500	0.106	4	110.7500	0.011	4	110.4319	0.837	8	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	103.8395	2.802	2	103.8395	7.853	2	103.8395	7.853	2	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.8810	0.000	1	111.8810	0.000	1	111.6160	0.053	3	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.4880	0.000	1	111.4880	0.000	1	111.6160	0.053	3	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.4790	0.000	1	111.4790	0.000	1	111.6160	0.053	3	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	112.7713	3.976	4	112.7713	15.805	4	112.7713	15.805	4	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.6990	0.117	3	111.6990	0.014	3	111.6038	0.061	5	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.4610	0.383	2	111.4610	0.147	2	111.6038	0.061	5	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	108.9434	6.651	65	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H)	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	H(C[5,6]C[5,5,6]C[3,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[3,6]C[5])	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(CN)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H){1|C<4>,1|I<1>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(CN){1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[6,6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]2C[6])	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,3|C<3>,9|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,1|S<4>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]2C[6])	105.5910	0.000	1	106.8620	1.223	3	106.8620	1.223	3	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,9|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]2C[6])	107.4975	0.151	2	106.8620	1.223	3	106.8620	1.223	3	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:N[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5])	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|N<3>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.0770	0.000	2	108.0770	0.000	2	108.0770	0.000	2	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	107.7465	2.861	11	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,7|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	104.8780	0.182	2	104.8780	0.033	2	104.8780	0.033	2	107.9423	4.785	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H){4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	105.2850	0.000	1	105.2850	0.000	1	106.5175	3.038	2	107.9423	4.785	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.7500	0.000	1	107.7500	0.000	1	106.5175	3.038	2	107.9423	4.785	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO){1|S<4>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.2874	0.870	5	109.2874	0.757	5	109.4387	0.743	6	107.9423	4.785	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO){2|C<2>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.1950	0.000	1	110.1950	0.000	1	109.4387	0.743	6	107.9423	4.785	10	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4230	0.122	2	108.4230	0.015	2	107.3372	5.121	5	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.7990	0.000	1	109.7990	0.000	1	107.3372	5.121	5	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	105.8320	0.000	1	105.0205	1.317	2	107.3372	5.121	5	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<4>,1|S<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	104.2090	0.000	1	105.0205	1.317	2	107.3372	5.121	5	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	104.8003	0.136	3	104.8003	0.018	3	104.8003	0.018	3	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.2370	0.000	1	108.2370	0.000	1	107.9890	0.047	3	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8650	0.051	2	107.8650	0.003	2	107.9890	0.047	3	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.2825	1.899	2	106.2825	3.605	2	106.2825	3.605	2	106.7399	3.532	13	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H)	H(C[5,6]C[3,5,6]C[5,5,6]C[6])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,5,6]C[6])	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H){1|C<4>,1|I<1>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HI)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2C)	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H)	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]2C[5,6])	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C[5,6])	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H)	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]O[5,6]2H)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HH)(H){1|Se<2>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]B)	107.1380	0.000	1	107.1380	0.000	1	108.7945	5.488	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]B)	110.4510	0.000	1	110.4510	0.000	1	108.7945	5.488	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.3950	0.000	1	106.3950	0.000	1	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.6810	0.000	1	106.6810	0.000	1	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H){1|Br<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0255	2.163	2	109.0255	4.679	2	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.6100	0.448	2	106.6100	0.201	2	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.0610	1.704	3	106.0610	2.903	3	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.4320	0.000	1	109.4320	0.000	1	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H){1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4310	0.000	1	107.4310	0.000	1	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H){1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]CH)(C[5,6]P[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.6795	0.071	2	106.6795	0.005	2	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.5720	0.000	1	106.5720	0.000	1	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.9147	0.199	3	107.9147	0.039	3	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.2720	0.136	4	109.2720	0.019	4	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.1095	0.511	2	107.1095	0.261	2	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.9660	0.000	1	106.9660	0.000	1	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9330	0.000	1	109.4805	0.242	4	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6630	0.404	3	109.4805	0.242	4	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<3>,1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9740	0.000	1	108.3290	0.188	4	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1140	0.073	3	108.3290	0.188	4	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)2(H){1|Pd<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9085	0.183	2	108.9085	0.034	2	107.9528	1.873	34	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	106.8310	0.000	2	106.8310	0.000	2	106.8310	0.000	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.3240	0.000	1	109.3240	0.000	1	111.3546	6.618	5	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.6060	0.000	2	109.6060	0.000	2	111.3546	6.618	5	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	114.1185	0.978	2	114.1185	0.956	2	111.3546	6.618	5	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|B<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	108.3200	0.000	1	108.3200	0.000	1	106.6020	2.214	3	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(H){1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	105.7430	0.020	2	105.7430	0.000	2	106.6020	2.214	3	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Si)	105.7175	0.904	2	105.7175	0.818	2	105.7175	0.818	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Si)	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:C[3x5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2480	0.000	1	107.2480	0.000	1	108.5750	3.522	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.9020	0.000	1	109.9020	0.000	1	108.5750	3.522	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.2270	0.000	1	106.2270	0.000	1	106.7535	0.554	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2800	0.000	1	107.2800	0.000	1	106.7535	0.554	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){1|C<4>,2|O<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5215	0.103	2	108.5215	0.011	2	108.5215	0.011	2	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H){1|C<4>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	107.7537	0.151	4	107.7537	0.023	4	107.7537	0.023	4	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,5,6]P[5,5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]P[5,5,6]C)	108.8570	0.918	2	108.9248	2.628	6	108.6301	2.798	7	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,5,6]P[5,5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]P[5,5,6]C)	108.9588	2.024	4	108.9248	2.628	6	108.6301	2.798	7	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,5,6]P[5,5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]P[5,5,6]C)	106.8620	0.000	1	106.8620	0.000	1	108.6301	2.798	7	108.2812	3.467	73	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2C[6])	106.5750	0.000	1	106.5708	0.980	4	106.5708	0.980	4	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2C[6])	106.5693	1.212	3	106.5708	0.980	4	106.5708	0.980	4	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H)	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|C<4>,9|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.5810	0.000	2	106.5810	0.000	2	106.5810	0.000	2	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9850	0.000	1	107.9850	0.000	1	108.0440	0.007	2	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.1030	0.000	1	108.1030	0.000	1	108.0440	0.007	2	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.4600	0.000	1	108.8595	11.515	2	109.3575	7.483	8	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.2590	0.000	1	108.8595	11.515	2	109.3575	7.483	8	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.9850	0.000	1	109.2470	14.993	2	109.3575	7.483	8	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.5090	0.000	1	109.2470	14.993	2	109.3575	7.483	8	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1605	0.030	2	109.6617	8.327	4	109.3575	7.483	8	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.1630	0.066	2	109.6617	8.327	4	109.3575	7.483	8	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5])	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.5498	0.204	5	110.5498	0.042	5	110.5201	0.093	7	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.4460	0.612	2	110.4460	0.375	2	110.5201	0.093	7	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.7090	0.000	1	109.3395	13.839	2	109.3395	13.839	2	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.9700	0.000	1	109.3395	13.839	2	109.3395	13.839	2	108.8986	4.780	27	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.9262	0.584	4	109.9262	0.341	4	109.8636	0.275	5	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.6130	0.000	1	109.6130	0.000	1	109.8636	0.275	5	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6240	0.283	4	107.6240	0.080	4	107.6240	0.080	4	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.7930	0.000	1	107.1115	0.203	2	107.1115	0.203	2	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.4300	0.000	1	107.1115	0.203	2	107.1115	0.203	2	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O){10|H<1>,1|Si<4>,1|C<2>,1|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	105.9955	1.178	4	105.9955	1.389	4	105.9955	1.389	4	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|N<3>,1|O<1>,1|O<2>,9|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.6045	0.391	2	110.6045	0.153	2	110.6045	0.153	2	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.3488	3.433	19	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2C)	106.9790	0.000	1	106.9790	0.000	1	106.9790	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3)	H(C[5,6]C[5,5,6]2C)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]2C)	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2C[6])	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|F<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2C[6])	106.5410	0.000	1	106.8712	0.866	6	106.6894	0.953	7	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2C[6])	107.2665	0.405	2	106.8712	0.866	6	106.6894	0.953	7	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2C[6])	105.1570	0.000	1	106.8712	0.866	6	106.6894	0.953	7	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,9|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2C[6])	107.4980	0.147	2	106.8712	0.866	6	106.6894	0.953	7	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]2C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,3|C<3>,9|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2C[6])	105.5990	0.000	1	105.5990	0.000	1	106.6894	0.953	7	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	105.3420	0.000	1	105.3420	0.000	1	105.3420	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	107.3645	1.647	2	107.3645	2.712	2	108.0510	2.103	4	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NRuCH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NRuCH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.7375	1.309	2	108.7375	1.713	2	108.0510	2.103	4	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.4130	0.000	1	107.1312	0.063	4	107.1312	0.063	4	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.0373	0.204	3	107.1312	0.063	4	107.1312	0.063	4	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2380	0.000	1	107.2380	0.000	1	107.9387	0.641	3	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7670	0.000	1	107.7670	0.000	1	107.9387	0.641	3	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH){2|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.8110	0.000	1	108.8110	0.000	1	107.9387	0.641	3	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	104.0080	0.000	1	104.0080	0.000	1	104.0080	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH){4|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	105.9720	0.000	1	105.9720	0.000	1	105.9720	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	107.3725	0.211	2	107.7695	0.261	4	107.5912	0.355	5	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	108.1665	0.329	2	107.7695	0.261	4	107.5912	0.355	5	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	106.8780	0.000	1	106.8780	0.000	1	107.5912	0.355	5	107.0637	1.373	31	110.7515	2.194	6416	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:3:4:1:	4:3:3:4:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH){2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<2>,1|C<4>,1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	106.6760	0.000	1	106.6760	0.000	1	107.9682	1.546	5	107.9682	1.546	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.2912	1.169	4	108.2912	1.366	4	107.9682	1.546	5	107.9682	1.546	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]N[5a,6]C[5,5]O[5,6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]N[5a,6]C[5,5]O[5,6])	111.7110	0.000	1	111.7110	0.000	1	111.7110	0.000	1	112.7700	2.243	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	N[6,6a]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]N[6,6a]C[5,5]O[5,6])	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]N[6,6a]C[5,5]O[5,6])	113.8290	0.000	1	113.8290	0.000	1	113.8290	0.000	1	112.7700	2.243	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:3:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.3725	0.223	2	108.3725	0.050	2	108.1197	0.217	3	108.1197	0.217	3	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:3:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.6140	0.000	1	107.6140	0.000	1	108.1197	0.217	3	108.1197	0.217	3	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.5760	0.000	1	108.5760	0.000	1	108.6294	0.284	5	108.6294	0.284	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<2>,1|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.4410	0.000	1	108.9995	0.624	2	108.6294	0.284	5	108.6294	0.284	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	109.5580	0.000	1	108.9995	0.624	2	108.6294	0.284	5	108.6294	0.284	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.2860	0.000	2	108.2860	0.000	2	108.6294	0.284	5	108.6294	0.284	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]N[5,6,6]C[5,5]C[6])	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]N[5,6,6]C[5,5]C[6])	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:2:3:2:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5])	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.6280	0.396	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-3:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	107.6280	0.396	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:3:2:2:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:N[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6])	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	H(C[5,6]C[5a,6]C[5,5]C[5,6])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5a,6]C[5,5]C[5,6])	111.3115	0.182	2	111.3115	0.033	2	111.3115	0.033	2	111.3115	0.033	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	108.7120	0.000	1	108.7120	0.000	1	108.0125	0.979	2	108.0125	0.979	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|I<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	107.3130	0.000	1	107.3130	0.000	1	108.0125	0.979	2	108.0125	0.979	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:4:3:2:	4:	N[5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a])	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H){1|O<2>,3|H<1>,3|O<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	108.1040	0.049	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	3:4:4:1:	4:4:3:3:	4:	N[5,5,6]-3:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	H(C[5,6]N[5,5,6]C[5,5]C[6])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,6|C<3>}	H(C[5,6]N[5,5,6]C[5,5]C[6])	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	108.1040	0.049	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.9410	0.000	1	110.9753	0.030	3	110.9753	0.030	3	110.9163	0.034	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.9925	0.240	2	110.9753	0.030	3	110.9753	0.030	3	110.9163	0.034	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:3:1:	4:4:3:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.9163	0.034	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:3:1:	4:4:3:2:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.2945	0.040	2	110.2945	0.002	2	110.2945	0.002	2	110.2945	0.002	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:3:1:	4:4:4:4:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	110.1400	0.447	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.6130	0.000	1	110.6130	0.000	1	110.6130	0.000	1	110.1400	0.447	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:2:4:1:	4:4:4:4:	4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	108.9330	0.089	2	108.9330	0.008	2	108.9330	0.008	2	108.9330	0.008	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]O[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5]N[5,6]O[6])	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5a,6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H)	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	H(C[5,6]C[5a,6]C[5,5]O[5,6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5,6]C[5a,6]C[5,5]O[5,6])	111.6280	0.410	2	111.6280	0.168	2	111.6280	0.168	2	111.6280	0.168	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]N[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,6]C[5,5]N[5,6]O[6])	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H){3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|Br<1>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.5815	1.098	2	108.5815	1.206	2	108.6698	0.304	6	108.6698	0.304	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.8990	0.000	1	108.8990	0.000	1	108.6698	0.304	6	108.6698	0.304	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.6523	0.352	3	108.6523	0.124	3	108.6698	0.304	6	108.6698	0.304	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(NOO)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(NOO){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	108.2705	1.788	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	108.2705	1.788	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H)	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]N[5,6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]N[5,6])	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H){1|D<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	113.3240	0.000	1	113.3240	0.000	1	113.3240	0.000	1	110.4515	16.503	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	110.4515	16.503	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.1740	0.000	1	108.0935	0.013	2	108.0935	0.013	2	108.2433	0.035	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.0130	0.000	1	108.0935	0.013	2	108.0935	0.013	2	108.2433	0.035	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	108.2433	0.035	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	108.2433	0.035	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:4:2:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	112.5540	0.000	2	112.5540	0.000	2	112.5540	0.000	2	112.5540	0.000	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.2130	0.000	1	111.2130	0.000	1	108.8228	1.381	6	108.8228	1.381	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.3167	0.103	4	108.3448	0.012	5	108.8228	1.381	6	108.8228	1.381	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.4570	0.000	1	108.3448	0.012	5	108.8228	1.381	6	108.8228	1.381	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:2:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.8880	0.000	1	113.0170	0.033	2	113.0170	0.033	2	113.0170	0.033	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:2:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	113.1460	0.000	1	113.0170	0.033	2	113.0170	0.033	2	113.0170	0.033	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3250	0.000	1	106.8460	0.459	2	106.8460	0.459	2	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	106.3670	0.000	1	106.8460	0.459	2	106.8460	0.459	2	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	106.6460	0.000	1	106.6460	0.000	1	107.0962	0.104	4	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|N<3>,1|S<1>,2|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.1640	0.021	2	107.2463	0.021	3	107.0962	0.104	4	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.4110	0.000	1	107.2463	0.021	3	107.0962	0.104	4	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.5125	0.127	2	107.5125	0.016	2	107.5125	0.016	2	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3110	1.083	2	107.3110	1.174	2	107.3110	1.174	2	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.2210	0.000	1	112.2210	0.000	1	112.2210	0.000	1	107.6314	2.564	11	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.8955	0.276	2	111.8955	0.076	2	111.9860	0.031	5	111.8360	0.160	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	112.0463	0.103	3	112.0463	0.011	3	111.9860	0.031	5	111.8360	0.160	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH){1|N<2>,3|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.8360	0.160	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	108.6750	4.671	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	106.9790	0.000	1	107.6720	0.971	3	107.6720	0.971	3	108.6750	4.671	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.2370	0.000	1	107.6720	0.971	3	107.6720	0.971	3	108.6750	4.671	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.8000	0.000	1	107.6720	0.971	3	107.6720	0.971	3	108.6750	4.671	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	109.5030	0.000	1	109.5030	0.000	1	108.9942	0.326	4	108.9942	0.326	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.2410	0.000	1	108.2410	0.000	1	108.9942	0.326	4	108.9942	0.326	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.8700	0.000	1	108.8700	0.000	1	108.9942	0.326	4	108.9942	0.326	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5]N[5,6]C[6])	109.3630	0.000	1	109.3630	0.000	1	108.9942	0.326	4	108.9942	0.326	4	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	113.3600	0.000	2	113.3600	0.000	2	113.3600	0.000	2	113.3600	0.000	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[3,5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	110.3760	4.016	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	110.3760	4.016	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	113.3450	0.000	1	113.3450	0.000	1	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.2438	0.269	4	111.2438	0.072	4	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.5637	2.620	7	112.5637	6.864	7	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|B<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8300	0.144	2	111.8300	0.021	2	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	107.0480	0.000	1	107.0480	0.000	1	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.5710	0.000	1	111.5710	0.000	1	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.5370	0.000	1	112.5370	0.000	1	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8100	0.443	6	112.0390	0.324	8	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.7260	0.164	2	112.0390	0.324	8	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8780	0.324	2	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.5330	0.000	1	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.2940	0.000	1	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.9240	0.000	1	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.0570	0.000	1	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	110.6350	0.000	1	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8773	0.182	6	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8460	0.000	1	111.7364	0.156	14	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	110.0780	0.000	1	111.3637	1.294	4	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.5225	1.114	2	111.3637	1.294	4	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.3320	0.000	1	111.3637	1.294	4	111.7944	1.947	43	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	109.9620	0.000	1	109.9620	0.000	1	110.1040	0.040	2	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.2460	0.000	1	110.2460	0.000	1	110.1040	0.040	2	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	111.7226	1.940	46	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,5]C[5,6]N[6])	108.2690	0.000	1	108.2690	0.000	1	108.2690	0.000	1	109.6723	0.510	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	109.9530	0.217	5	109.9530	0.047	5	109.9530	0.047	5	109.6723	0.510	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5])	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.0970	0.000	1	107.0970	0.000	1	107.0970	0.000	1	107.0970	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.1105	0.450	2	108.1105	0.203	2	108.1105	0.203	2	108.1105	0.203	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.1132	0.196	4	110.1132	0.038	4	110.1132	0.038	4	109.6494	1.105	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]N[6])	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	109.6494	1.105	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.3580	0.000	1	106.3580	0.000	1	106.3580	0.000	1	110.2748	5.014	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]N[6])	111.1950	0.647	3	111.2540	0.293	4	111.2540	0.293	4	110.2748	5.014	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]N[6])	111.4310	0.000	1	111.2540	0.293	4	111.2540	0.293	4	110.2748	5.014	5	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.9730	0.000	1	107.9730	0.000	1	107.8005	0.015	4	108.1227	3.101	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.6920	0.000	1	107.6920	0.000	1	107.8005	0.015	4	108.1227	3.101	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7685	0.045	2	107.7685	0.002	2	107.8005	0.015	4	108.1227	3.101	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	108.1227	3.101	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	108.1227	3.101	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,2|O<1>,6|C<4>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	105.8780	0.000	1	105.8780	0.000	1	105.8780	0.000	1	108.1227	3.101	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.4020	0.000	1	111.4020	0.000	1	111.1060	0.175	2	111.1060	0.175	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.8100	0.000	1	110.8100	0.000	1	111.1060	0.175	2	111.1060	0.175	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	3:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H){1|O<1>,1|S<4>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]2)	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	103.4910	0.000	1	103.4910	0.000	1	103.4910	0.000	1	103.4910	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5])	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:N[5]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:S[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H)	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]S[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]S[6])	111.0225	0.124	2	111.0225	0.015	2	111.0225	0.015	2	111.0225	0.015	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H){4|C<4>,7|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	105.6200	0.000	1	105.6200	0.000	1	106.4655	1.430	2	106.7918	0.350	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,7|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.3110	0.000	1	107.3110	0.000	1	106.4655	1.430	2	106.7918	0.350	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	106.9550	0.014	4	106.9550	0.000	4	106.9550	0.000	4	106.7918	0.350	6	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,4|C<4>,8|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7290	0.000	1	107.7735	0.044	4	107.7735	0.044	4	108.6884	2.136	9	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7883	0.254	3	107.7735	0.044	4	107.7735	0.044	4	108.6884	2.136	9	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){4|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.0980	0.000	1	109.0980	0.000	1	110.4890	3.870	2	108.6884	2.136	9	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.8800	0.000	1	111.8800	0.000	1	110.4890	3.870	2	108.6884	2.136	9	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	108.6884	2.136	9	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H){5|C<4>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.1280	0.000	1	108.1280	0.000	1	107.9765	0.046	2	108.6884	2.136	9	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.8250	0.000	1	107.8250	0.000	1	107.9765	0.046	2	108.6884	2.136	9	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5])	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5]){2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3){2|C<4>,9|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	H(C[5,6]C[5,5,6]C[5,5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,8|H<1>}	H(C[5,6]C[5,5,6]C[5,5]C[6])	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.6774	1.659	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H){1|O<1>,4|C<4>,8|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	109.6774	1.659	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	109.6774	1.659	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	109.6774	1.659	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	108.0330	0.000	1	108.0330	0.000	1	108.6060	1.077	3	109.6774	1.659	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	107.9810	0.000	1	107.9810	0.000	1	108.6060	1.077	3	109.6774	1.659	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	109.8040	0.000	1	109.8040	0.000	1	108.6060	1.077	3	109.6774	1.659	7	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	105.1690	0.519	2	105.1690	0.269	2	105.1690	0.269	2	104.6617	0.907	3	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	103.6470	0.000	1	103.6470	0.000	1	103.6470	0.000	1	104.6617	0.907	3	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H){1|S<4>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.9150	0.000	1	106.9150	0.000	1	106.9150	0.000	1	107.2705	0.253	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	107.2705	0.253	2	109.6060	4.954	220	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H)	H(C[5,6]C[5,6,6]O[5,6]O[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]O[5,6]O[5])	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:3:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	H(C[5,6]C[5,6,6]O[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]O[5,6]C[6])	111.2310	0.000	1	111.2310	0.000	1	110.8880	0.235	2	110.8880	0.235	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	H(C[5,6]C[5,6,6]O[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]O[5,6]C[6])	110.5450	0.000	1	110.5450	0.000	1	110.8880	0.235	2	110.8880	0.235	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	3:4:4:3:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.2925	0.578	2	111.2925	0.334	2	111.2925	0.334	2	111.2925	0.334	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H){6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:3:2:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H)	H(C[5,6]C[5,6,6]O[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	H(C[5,6]C[5,6,6]O[5,6]C[5])	111.6132	0.541	6	111.6132	0.293	6	111.6132	0.293	6	111.4867	0.356	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	111.4867	0.356	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:2:	4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]O[5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]O[5,6]C[5])	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.4500	0.188	2	105.4500	0.035	2	105.8517	0.338	4	105.8517	0.338	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.8460	0.000	1	105.8460	0.000	1	105.8517	0.338	4	105.8517	0.338	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	106.6610	0.000	1	106.6610	0.000	1	105.8517	0.338	4	105.8517	0.338	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,4x6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.7577	0.378	3	105.7577	0.143	3	105.7577	0.143	3	106.5787	2.865	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	106.3570	0.000	1	106.3570	0.000	1	107.3997	4.997	3	106.5787	2.865	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	105.8760	0.000	1	105.8760	0.000	1	107.3997	4.997	3	106.5787	2.865	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.9660	0.000	1	109.9660	0.000	1	107.3997	4.997	3	106.5787	2.865	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[5,6]C[5,6,6]N[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]N[5,6]H)	112.9130	0.112	4	112.9130	0.013	4	112.9130	0.013	4	112.9130	0.013	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	110.2545	0.514	4	110.2227	0.161	6	110.2227	0.161	6	110.2227	0.161	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	110.1590	0.000	2	110.2227	0.161	6	110.2227	0.161	6	110.2227	0.161	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[6]O[5])	114.5230	0.000	1	114.5230	0.000	1	114.5230	0.000	1	114.5230	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:3:3:4:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	109.8515	0.180	2	109.8515	0.033	2	109.8515	0.033	2	109.8515	0.033	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	110.0695	4.864	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	110.0695	4.864	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5a,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5a,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5a,6]O[5])	109.9503	0.273	3	109.9503	0.075	3	109.9503	0.075	3	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	108.7075	0.190	2	108.7075	0.036	2	108.7075	0.036	2	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.6250	0.328	2	108.6250	0.108	2	108.6250	0.108	2	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){2|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.2845	0.037	2	108.2845	0.001	2	108.4151	0.037	13	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.2920	0.000	1	108.2920	0.000	1	108.4151	0.037	13	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.5357	0.113	8	108.4535	0.042	10	108.4151	0.037	13	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.2140	0.000	1	108.4535	0.042	10	108.4151	0.037	13	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.0350	0.000	1	108.4535	0.042	10	108.4151	0.037	13	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	H(C[5,6]C[5,6,6]N[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]N[6]O[5])	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	108.9441	0.775	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.9970	0.000	1	108.9970	0.000	1	108.9170	0.013	2	109.0350	0.069	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.8370	0.000	1	108.8370	0.000	1	108.9170	0.013	2	109.0350	0.069	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.1530	0.372	2	109.1530	0.138	2	109.1530	0.138	2	109.0350	0.069	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H)	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	H(C[5,6]C[5,6,6]B[5]C[6])	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H){1|B<3>,1|H<1>,5|C<3>}	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	H(C[5,6]C[5,6,6]B[5]C[6])	105.7060	0.000	1	105.7060	0.000	1	105.7060	0.000	1	105.7060	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	H(C[5,6]C[5,6,6]B[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,1|H<1>,4|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){2|C<4>,5|C<3>}	H(C[5,6]C[5,6,6]B[5]C[6])	107.8700	0.000	1	107.5657	0.156	3	107.5657	0.156	3	107.5657	0.156	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	H(C[5,6]C[5,6,6]B[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,2|H<1>,4|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6,6]B[5]C[6])	107.1200	0.000	1	107.5657	0.156	3	107.5657	0.156	3	107.5657	0.156	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	H(C[5,6]C[5,6,6]B[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,2|H<1>,4|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,2|C<4>,5|C<3>}	H(C[5,6]C[5,6,6]B[5]C[6])	107.7070	0.000	1	107.5657	0.156	3	107.5657	0.156	3	107.5657	0.156	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:4:3:	4:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]N[6])	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	109.5768	2.333	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	109.5768	2.333	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]N[5]N[6])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6,6]N[5]N[6])	109.2440	0.000	1	108.8440	0.320	2	108.8440	0.320	2	109.5768	2.333	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]N[5]N[6])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]N[5]N[6])	108.4440	0.000	1	108.8440	0.320	2	108.8440	0.320	2	109.5768	2.333	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6,6]-4:S[5]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]S[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]S[5])	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	109.5768	2.333	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6,6]C[5,6a]C[6,6a])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	H(C[5,6]C[5,6,6]C[5,6a]C[6,6a])	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	109.4017	0.633	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	109.4017	0.633	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	109.4017	0.633	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	H(C[5,6]C[5,6,6]C[5,6a]N[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]N[6])	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.7670	0.000	1	105.7670	0.000	1	105.7670	0.000	1	105.7670	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5a,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H)	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[5a,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5a,6]C[5])	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	109.7490	8.081	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	109.7490	8.081	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	109.7490	8.081	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	H(C[5,6]C[5,6,6]C[5,6]N[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]N[6])	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	107.6285	9.674	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	H(C[5,6]C[5,6,6]C[5,6a]C[5,6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){2|C<4>,6|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	H(C[5,6]C[5,6,6]C[5,6a]C[5,6])	105.0280	0.000	2	105.0280	0.000	2	105.0280	0.000	2	107.6285	9.674	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	107.5660	0.000	2	107.5660	0.000	2	107.5660	0.000	2	107.6285	9.674	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.6285	9.674	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	3:4:3:1:	4:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H)	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]N[6])	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	3:4:4:2:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]N[5,5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]N[5,5,6]C[5])	108.3385	0.228	2	108.3385	0.052	2	108.3385	0.052	2	108.3385	0.052	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	4:4:2:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	108.0935	0.199	2	108.0935	0.039	2	108.0935	0.039	2	109.2242	0.914	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.2242	0.914	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.2242	0.914	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[5,6]C[5,6,6]N[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6]N[5,6]C[6])	110.0890	0.556	2	110.0890	0.309	2	110.0890	0.309	2	109.2242	0.914	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2{1|H<1>,6|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H){3|H<1>,6|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.8135	0.052	2	111.8135	0.003	2	111.8135	0.003	2	111.8135	0.003	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	112.0560	0.000	1	112.0560	0.000	1	112.0560	0.000	1	112.0560	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	111.1360	0.020	2	111.1360	0.000	2	111.1360	0.000	2	111.1360	0.000	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.7628	0.904	5	110.9413	3.689	11	110.9413	3.689	11	110.5663	3.913	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.0793	3.286	4	110.9413	3.689	11	110.9413	3.689	11	110.5663	3.913	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1115	0.967	2	110.9413	3.689	11	110.9413	3.689	11	110.5663	3.913	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:Cl-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	H(C[5,6]C[5,6,6]C[5,6]Cl)	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]Cl)	108.5040	0.126	2	108.5040	0.016	2	108.5040	0.016	2	110.5663	3.913	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5892	0.060	4	111.5892	0.004	4	111.5892	0.004	4	111.5892	0.004	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|C<4>,2|O<2>,6|H<1>}	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5715	0.040	2	111.5715	0.002	2	111.6130	0.003	4	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|S<4>,4|C<4>,4|H<1>}	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.6545	0.009	2	111.6545	0.000	2	111.6130	0.003	4	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4748	0.035	5	111.4832	0.002	11	111.5115	0.007	13	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4275	0.009	2	111.4832	0.002	11	111.5115	0.007	13	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5115	0.008	2	111.4832	0.002	11	111.5115	0.007	13	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5315	0.018	2	111.4832	0.002	11	111.5115	0.007	13	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6675	0.066	2	111.6675	0.004	2	111.5115	0.007	13	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.7550	0.000	1	110.7550	0.000	1	110.7550	0.000	1	111.4921	0.041	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:2:2:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.4645	0.016	2	111.4645	0.000	2	111.4645	0.000	2	111.4645	0.000	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]2H)	111.6045	0.008	2	111.6045	0.000	2	111.6770	0.007	4	111.6770	0.007	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]2H)	111.7495	0.015	2	111.7495	0.000	2	111.6770	0.007	4	111.6770	0.007	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|O<1>,2|C<3>,2|N<3>}	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.4910	0.047	2	111.4910	0.002	2	111.4910	0.002	2	111.3172	0.078	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1120	0.020	2	111.1120	0.000	2	111.1120	0.000	2	111.3172	0.078	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2{1|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3485	0.489	2	111.3485	0.239	2	111.3485	0.239	2	111.3172	0.078	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9005	0.005	2	111.9005	0.000	2	111.9005	0.000	2	111.7325	0.085	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9400	0.020	2	111.9400	0.000	2	111.9400	0.000	2	111.7325	0.085	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3570	0.007	2	111.3570	0.000	2	111.3570	0.000	2	111.7325	0.085	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2{4|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	112.0095	0.055	4	112.0095	0.003	4	112.0095	0.003	4	111.8668	0.065	20	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8876	0.041	7	111.8876	0.002	7	111.9187	0.004	10	111.8668	0.065	20	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.0190	0.000	1	111.9913	0.001	3	111.9187	0.004	10	111.8668	0.065	20	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.9775	0.013	2	111.9913	0.001	3	111.9187	0.004	10	111.8668	0.065	20	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1435	0.050	2	111.1435	0.003	2	111.1435	0.003	2	111.8668	0.065	20	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.9280	0.008	2	111.9560	0.001	4	111.9560	0.001	4	111.8668	0.065	20	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.9840	0.006	2	111.9560	0.001	4	111.9560	0.001	4	111.8668	0.065	20	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2{1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1665	0.087	2	111.1665	0.008	2	111.1665	0.008	2	111.1665	0.008	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,6,6]C[5,6,6]O[5,6]C)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,6,6]C[5,6,6]O[5,6]C)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	111.7425	0.036	2	111.7425	0.001	2	111.7425	0.001	2	111.7593	0.002	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[6,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8020	0.000	1	111.8020	0.000	1	111.8020	0.000	1	111.7593	0.002	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.7570	0.058	4	111.7570	0.003	4	111.7570	0.003	4	111.7593	0.002	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	110.8330	0.035	5	110.8330	0.001	5	110.9846	0.037	9	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	111.2665	0.026	2	111.1740	0.012	4	110.9846	0.037	9	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{4|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	111.0815	0.018	2	111.1740	0.012	4	110.9846	0.037	9	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	113.6190	1.991	2	113.6190	3.965	2	112.2948	1.850	6	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5545	0.005	2	111.5545	0.000	2	112.2948	1.850	6	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.7110	0.010	2	111.7110	0.000	2	112.2948	1.850	6	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1450	0.025	2	111.1450	0.001	2	111.1450	0.001	2	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H){6|C<4>}	H(C[5,6]C[5,6,6]2H)	111.7940	0.031	2	111.7940	0.001	2	111.7305	0.017	6	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6]2H)	111.6988	0.153	4	111.6988	0.023	4	111.7305	0.017	6	111.5349	0.743	23	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	H(C[5,6]C[5,6,6]2H)	111.7430	0.035	2	111.7430	0.001	2	111.7430	0.001	2	111.8338	0.007	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.8792	0.052	4	111.8792	0.003	4	111.8792	0.003	4	111.8338	0.007	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5165	0.009	2	111.5165	0.000	2	111.5319	0.011	18	111.5319	0.011	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6205	0.054	2	111.5422	0.011	4	111.5319	0.011	18	111.5319	0.011	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4640	0.078	2	111.5422	0.011	4	111.5319	0.011	18	111.5319	0.011	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6428	0.025	4	111.5311	0.014	12	111.5319	0.011	18	111.5319	0.011	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5383	0.115	4	111.5311	0.014	12	111.5319	0.011	18	111.5319	0.011	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4445	0.023	2	111.5311	0.014	12	111.5319	0.011	18	111.5319	0.011	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3800	0.017	2	111.5311	0.014	12	111.5319	0.011	18	111.5319	0.011	18	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2660	0.028	2	111.2387	3.084	4	111.2387	3.084	4	111.0210	3.974	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2115	3.041	2	111.2387	3.084	4	111.2387	3.084	4	111.0210	3.974	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.5855	3.170	2	110.5855	10.049	2	110.5855	10.049	2	111.0210	3.974	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2{2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<2>,3|C<4>}	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	112.1615	1.253	4	112.1615	1.569	4	112.1615	1.569	4	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	111.1940	0.049	2	111.1940	0.002	2	112.3243	3.249	10	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	112.2585	1.983	4	112.2585	3.934	4	112.3243	3.249	10	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	112.9553	2.103	4	112.9553	4.423	4	112.3243	3.249	10	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	110.9453	0.026	4	110.9453	0.001	4	111.0426	0.012	8	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	111.1400	0.042	4	111.1400	0.002	4	111.0426	0.012	8	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[4,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	110.9685	0.016	2	110.9685	0.000	2	110.9685	0.000	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	111.1830	0.020	2	111.1830	0.000	2	111.1830	0.000	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	111.6330	0.006	2	111.6330	0.000	2	111.6330	0.000	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	111.6350	0.000	1	111.6350	0.000	1	111.9944	0.025	8	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	112.0457	0.068	7	112.0457	0.005	7	111.9944	0.025	8	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:F-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	111.2675	0.008	2	111.2675	0.000	2	111.2675	0.000	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1320	0.048	2	111.1320	0.002	2	111.1320	0.002	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2{3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.4680	0.035	2	111.4680	0.001	2	111.5152	0.003	4	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2{4|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5625	0.009	2	111.5625	0.000	2	111.5152	0.003	4	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.1112	1.667	4	112.1112	2.778	4	111.9117	2.009	8	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.0320	2.236	2	112.0320	4.999	2	111.9117	2.009	8	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3925	0.046	2	111.3925	0.002	2	111.9117	2.009	8	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|N<2>,1|N<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8468	0.158	4	111.8468	0.025	4	111.6909	0.071	14	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3342	0.178	4	111.3342	0.032	4	111.6909	0.071	14	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.8247	0.095	6	111.8247	0.009	6	111.6909	0.071	14	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	N[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2	C[5,6,6](N[6,6]C[5,6,6]FeO)(C[5,6]C[5,5,6]HH)2(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2{1|Fe<5>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](N[6,6]C[5,6,6]FeO)(C[5,6]C[5,5,6]HH)2(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.7205	0.024	6	111.7205	0.001	6	111.7205	0.001	6	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.6230	2.127	2	112.6230	4.524	2	112.6230	4.524	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	113.2310	1.312	2	113.2310	1.722	2	111.7838	1.189	10	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.0102	0.034	4	111.0102	0.001	4	111.7838	1.189	10	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.2845	1.251	2	112.2845	1.565	2	111.7838	1.189	10	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3830	0.052	2	111.3830	0.003	2	111.7838	1.189	10	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.5850	0.052	2	111.5850	0.003	2	111.5850	0.003	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)2(H)2	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)2(H)2{4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H){1|Pt<6>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]2H)	112.0493	0.078	7	112.0493	0.006	7	112.0493	0.006	7	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6695	0.012	2	111.6695	0.000	2	111.6695	0.000	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6340	0.042	2	111.6005	0.003	4	111.6005	0.003	4	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5670	0.059	2	111.6005	0.003	4	111.6005	0.003	4	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.2515	0.009	2	111.2515	0.000	2	111.2515	0.000	2	111.7500	0.794	101	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-2:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(CN)	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2{2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(CN){1|H<1>,3|C<4>}	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	110.9250	2.103	4	110.9250	4.424	4	110.9250	4.424	4	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2{1|F<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	111.1660	0.018	2	111.1660	0.000	2	111.1660	0.000	2	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3173	0.125	8	111.3173	0.016	8	111.3173	0.016	8	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6])	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2099	0.046	7	111.2099	0.002	7	111.2099	0.002	7	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){2|C<3>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]2H)	111.8115	0.078	2	111.8115	0.006	2	111.7795	0.003	4	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]2H)	111.7475	0.013	2	111.7475	0.000	2	111.7795	0.003	4	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5447	0.081	3	111.5447	0.007	3	111.8321	0.062	11	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{3|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.8735	0.040	2	111.8735	0.002	2	111.8321	0.062	11	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9620	0.226	6	111.9620	0.051	6	111.8321	0.062	11	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5]){5|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.7270	0.093	2	111.7270	0.009	2	111.7270	0.009	2	111.4675	0.487	38	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.9240	0.017	2	110.9240	0.000	2	110.9240	0.000	2	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	112.0306	0.040	7	112.0306	0.002	7	112.0306	0.002	7	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5485	0.005	2	111.1785	2.409	12	111.1785	2.409	12	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5550	0.011	2	111.1785	2.409	12	111.1785	2.409	12	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.9919	1.915	8	111.1785	2.409	12	111.1785	2.409	12	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5125	0.053	2	111.5125	0.003	2	111.6316	0.013	14	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6513	0.031	4	111.6513	0.001	4	111.6316	0.013	14	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6833	0.148	6	111.6515	0.019	8	111.6316	0.013	14	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5560	0.027	2	111.6515	0.019	8	111.6316	0.013	14	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0230	0.039	4	111.0230	0.002	4	111.0230	0.002	4	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3495	0.113	4	111.3495	0.013	4	111.3495	0.013	4	111.4543	0.756	43	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2460	0.004	2	111.2604	0.001	8	111.2417	0.003	10	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2652	0.042	6	111.2604	0.001	8	111.2417	0.003	10	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1670	0.027	2	111.1670	0.001	2	111.2417	0.003	10	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.9430	0.024	2	110.9430	0.001	2	110.9430	0.001	2	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2980	0.082	2	111.2343	0.008	4	111.2343	0.008	4	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.1705	0.019	2	111.2343	0.008	4	111.2343	0.008	4	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.2805	0.033	4	111.2805	0.001	4	111.2805	0.001	4	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.3645	0.053	2	112.3645	0.003	2	112.3645	0.003	2	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0575	0.026	2	111.0575	0.001	2	111.1460	0.012	4	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.2345	0.050	2	111.2345	0.003	2	111.1460	0.012	4	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4180	0.025	2	111.4180	0.001	2	111.4180	0.001	2	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH){1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6462	0.125	4	111.6462	0.016	4	111.6462	0.016	4	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(H)2{2|C<4>,2|N<3>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6375	0.076	2	111.6375	0.006	2	111.8463	0.028	6	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9507	0.031	4	111.9507	0.001	4	111.8463	0.028	6	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	108.5700	0.950	2	108.5700	0.903	2	108.5700	0.903	2	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5685	0.032	2	111.5685	0.001	2	111.5685	0.001	2	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3975	0.036	2	111.3975	0.001	2	111.3975	0.001	2	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.2790	0.037	2	111.2790	0.001	2	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|Br<1>,1|O<1>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0235	0.011	2	111.0235	0.000	2	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.7955	0.044	4	110.7955	0.002	4	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<2>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.9879	0.046	15	110.9791	0.005	25	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.9679	0.110	8	110.9791	0.005	25	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.9580	0.011	2	110.9791	0.005	25	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0355	0.005	2	111.0355	0.000	2	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.2537	0.049	6	111.2979	0.004	16	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3090	0.016	2	111.2979	0.004	16	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3372	0.065	6	111.2979	0.004	16	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{4|C<4>,8|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3020	0.011	2	111.2979	0.004	16	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3955	0.013	2	111.4227	0.002	3	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4770	0.000	1	111.4227	0.002	3	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3835	0.011	2	111.3835	0.000	2	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3647	0.108	6	111.3647	0.012	6	111.1343	0.041	62	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	111.2059	0.231	107	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<2>,6|C<3>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.1770	1.642	2	112.1770	2.696	2	112.1770	2.696	2	112.1770	2.696	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	3:4:3:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.5260	0.116	2	108.5260	0.013	2	108.5260	0.013	2	108.5260	0.013	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	H(C[5,6]C[5,6,6]2O)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]2O)	107.9650	0.310	2	107.9650	0.096	2	107.9650	0.096	2	107.9650	0.096	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	3:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Cl<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5]O[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]O[6])	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H){3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C)	109.3367	0.156	4	109.3367	0.024	4	109.3367	0.024	4	109.8634	2.645	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.5405	3.634	2	110.5405	13.205	2	110.5405	13.205	2	109.8634	2.645	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.6160	0.000	1	110.6160	0.000	1	110.6160	0.000	1	109.8634	2.645	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H){1|H<1>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	109.7540	0.000	1	109.7540	0.000	1	110.9275	2.754	2	111.1848	0.570	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H){1|H<1>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	112.1010	0.000	1	112.1010	0.000	1	110.9275	2.754	2	111.1848	0.570	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]S)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,2|C<4>,2|F<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]S)	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.1848	0.570	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|Si<4>,1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	111.7960	0.188	2	111.7960	0.035	2	111.7960	0.035	2	111.1848	0.570	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.8410	0.000	1	110.8535	0.000	2	110.8810	0.002	3	111.1848	0.570	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.8660	0.000	1	110.8535	0.000	2	110.8810	0.002	3	111.1848	0.570	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.9360	0.000	1	110.9360	0.000	1	110.8810	0.002	3	111.1848	0.570	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH)	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,7|C<4>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	108.6545	1.016	2	108.6545	1.032	2	108.6545	1.032	2	108.7903	0.369	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	108.7903	0.369	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.7903	0.369	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.7866	1.480	5	112.7260	1.472	7	112.6019	1.385	8	112.5926	1.212	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.5745	0.036	2	112.7260	1.472	7	112.6019	1.385	8	112.5926	1.212	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.7330	0.000	1	111.7330	0.000	1	112.6019	1.385	8	112.5926	1.212	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	112.5926	1.212	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH){4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	109.2359	1.223	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	109.2359	1.223	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.2359	1.223	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3)	H(C[5,6]C[5,6,6]C[5]O[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]O[6])	109.0065	0.125	2	109.0065	0.016	2	109.0065	0.016	2	109.2359	1.223	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.0010	0.000	1	109.0010	0.000	1	108.9430	0.565	3	109.2359	1.223	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.6640	0.000	1	109.6640	0.000	1	108.9430	0.565	3	109.2359	1.223	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.1640	0.000	1	108.1640	0.000	1	108.9430	0.565	3	109.2359	1.223	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	C[3x5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H)	H(C[5,6]C[3x5,6]C[5,6,6]O)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]O)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	109.5285	0.116	4	109.5285	0.013	4	109.5285	0.013	4	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	113.0370	1.105	3	113.0370	1.220	3	113.0370	1.220	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	108.5280	0.033	3	108.6082	0.027	4	108.6082	0.027	4	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	108.8490	0.000	1	108.6082	0.027	4	108.6082	0.027	4	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H){2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	109.5885	0.456	2	109.5885	0.208	2	109.5885	0.208	2	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.0450	0.170	2	109.0450	0.029	2	108.9763	0.029	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	108.8390	0.000	1	108.8390	0.000	1	108.9763	0.029	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.9847	0.343	3	109.9847	0.118	3	109.7185	0.619	11	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	108.9815	1.059	2	108.9815	1.121	2	109.7185	0.619	11	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.6470	0.000	1	109.9193	0.190	4	109.7185	0.619	11	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.0100	0.485	3	109.9193	0.190	4	109.7185	0.619	11	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.8370	0.000	1	110.8370	0.000	1	109.7185	0.619	11	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	108.4720	0.000	1	108.4720	0.000	1	109.7185	0.619	11	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H){3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	108.6173	0.102	3	108.6173	0.010	3	108.6173	0.010	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|O<2>,9|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.2790	0.000	2	110.3270	0.007	3	110.3270	0.007	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.4230	0.000	1	110.3270	0.007	3	110.3270	0.007	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	112.3700	0.000	1	110.8115	4.858	2	110.8115	4.858	2	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.2530	0.000	1	110.8115	4.858	2	110.8115	4.858	2	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5470	0.000	1	110.5470	0.000	1	110.8040	0.101	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.1600	0.000	1	111.1600	0.000	1	110.8040	0.101	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.7050	0.000	1	110.7050	0.000	1	110.8040	0.101	3	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5795	0.050	2	110.2611	0.098	11	110.2863	0.097	12	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.1903	0.302	9	110.2611	0.098	11	110.2863	0.097	12	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5640	0.000	1	110.5640	0.000	1	110.2863	0.097	12	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.9670	0.000	1	110.9670	0.000	1	109.5275	0.859	6	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.8500	0.000	1	108.8500	0.000	1	109.5275	0.859	6	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.7290	0.000	1	108.7015	0.002	2	109.5275	0.859	6	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.6740	0.000	1	108.7015	0.002	2	109.5275	0.859	6	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.9725	0.054	2	109.9725	0.003	2	109.5275	0.859	6	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.4080	0.000	1	111.4080	0.000	1	110.1750	3.041	2	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.9420	0.000	1	108.9420	0.000	1	110.1750	3.041	2	109.9712	1.875	63	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5]){1|O<1>,4|H<1>,4|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.3513	0.418	3	110.3513	0.175	3	110.3513	0.175	3	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H)	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.9762	0.104	4	110.9762	0.011	4	110.5985	0.785	11	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.3800	0.000	1	111.3800	0.000	1	110.5985	0.785	11	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.0630	0.000	1	112.0630	0.000	1	110.5985	0.785	11	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.5355	0.095	2	110.5355	0.009	2	110.5985	0.785	11	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.3883	0.206	3	109.3883	0.042	3	110.5985	0.785	11	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	110.1689	0.907	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.6580	0.314	2	109.6580	0.099	2	109.6580	0.099	2	110.3293	1.600	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.5940	0.000	1	111.5463	0.044	3	111.5463	0.044	3	110.3293	1.600	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.5225	0.292	2	111.5463	0.044	3	111.5463	0.044	3	110.3293	1.600	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Br<1>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.3293	1.600	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	110.3293	1.600	7	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	111.0065	0.515	2	110.3755	1.420	4	110.3755	1.420	4	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	109.7445	1.549	2	110.3755	1.420	4	110.3755	1.420	4	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	110.8630	0.000	1	110.6525	0.089	2	110.6525	0.089	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]O)	110.4420	0.000	1	110.6525	0.089	2	110.6525	0.089	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H)	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]S)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]S)	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	H(C[5,6]C[5,6,6]2O)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]2O)	107.9550	0.272	2	107.9550	0.074	2	107.9550	0.074	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H){2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	113.0200	0.000	1	113.0200	0.000	1	113.0200	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H){13|H<1>,1|C<3>,2|C<4>,2|N<3>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|H<1>,3|C<3>,5|C<4>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	108.5615	0.558	2	108.5615	0.311	2	108.5615	0.311	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.0205	0.105	2	110.0205	0.011	2	110.0205	0.011	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	107.5770	0.000	1	108.1785	0.724	2	108.1785	0.724	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.7800	0.000	1	108.1785	0.724	2	108.1785	0.724	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.5745	0.015	2	110.5745	0.000	2	110.5745	0.000	2	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3){1|O<1>,1|S<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	107.5560	0.000	1	107.5560	0.000	1	107.5560	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	109.6325	2.305	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:3:2:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	108.5660	1.031	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	108.5660	1.031	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9280	0.007	2	108.9280	0.000	2	108.9280	0.000	2	108.3166	0.670	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	108.3166	0.670	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.9550	0.000	1	106.9550	0.000	1	107.7640	1.309	2	108.3166	0.670	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5730	0.000	1	108.5730	0.000	1	107.7640	1.309	2	108.3166	0.670	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]N[5])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]N[5])	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.3320	0.621	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	108.3335	0.397	2	108.3335	0.157	2	108.3335	0.157	2	109.3320	0.621	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8794	0.192	5	109.8794	0.037	5	109.8794	0.037	5	109.3320	0.621	8	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.8480	0.000	1	109.8480	0.000	1	109.4783	0.155	3	109.4783	0.155	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,3|O<2>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.2935	0.325	2	109.2935	0.105	2	109.4783	0.155	3	109.4783	0.155	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H)	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	H(C[5,6]C[3,5,6]C[5,6,6]C[5a])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H){3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C[5a])	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	106.9930	0.000	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	106.9930	0.000	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:3:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.1685	0.156	2	105.1685	0.024	2	105.1685	0.024	2	105.1685	0.024	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	108.9310	0.000	1	108.9310	0.000	1	108.7810	0.045	2	108.7113	0.082	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H)	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H){1|N<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	108.6310	0.000	1	108.6310	0.000	1	108.7810	0.045	2	108.7113	0.082	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	108.6415	0.428	2	108.6415	0.183	2	108.6415	0.183	2	108.7113	0.082	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6]){1|C<4>,2|H<1>,3|O<1>,8|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.8460	0.106	2	105.8460	0.011	2	105.8460	0.011	2	105.8460	0.011	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C)	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.0828	10.448	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	105.6770	1.369	2	105.6770	1.874	2	105.6770	1.874	2	108.0828	10.448	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	108.0828	10.448	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	113.5460	3.608	2	113.5460	13.015	2	113.5460	13.015	2	113.5460	13.015	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	107.4970	0.049	2	107.4970	0.002	2	107.4970	0.002	2	109.1033	7.742	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	109.1033	7.742	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,2|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	109.9070	0.000	2	109.9070	0.000	2	109.9070	0.000	2	109.8875	4.930	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6,6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|O<1>,3|C<4>,4|O<2>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6,6])	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	109.8875	4.930	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|O<2>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.4160	0.000	1	107.4160	0.000	1	107.4160	0.000	1	109.8875	4.930	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,2|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.3600	0.000	2	112.3600	0.000	2	112.3600	0.000	2	109.8875	4.930	6	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	109.3280	0.000	1	109.3280	0.000	1	109.1770	0.046	2	108.5124	0.415	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	109.0260	0.000	1	109.0260	0.000	1	109.1770	0.046	2	108.5124	0.415	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9155	0.011	2	107.9155	0.000	2	107.9155	0.000	2	108.5124	0.415	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.5124	0.415	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.7140	0.000	1	112.7140	0.000	1	113.6783	3.311	3	111.7805	16.614	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	115.7770	0.000	1	114.1605	5.226	2	113.6783	3.311	3	111.7805	16.614	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.5440	0.000	1	114.1605	5.226	2	113.6783	3.311	3	111.7805	16.614	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.0870	0.000	1	106.0870	0.000	1	106.0870	0.000	1	111.7805	16.614	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,2|O<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O){3|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	105.9200	0.000	1	105.9200	0.000	1	105.9200	0.000	1	109.5340	9.803	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6,6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,2|C<4>,3|C<3>,3|H<1>,4|O<2>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.3410	0.123	2	111.3410	0.015	2	111.3410	0.015	2	109.5340	9.803	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3)	H(C[5,6]C[3,5,6]C[5,6,6]C[6a])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6a])	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	109.2532	10.297	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){4|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	105.7280	0.000	1	105.7280	0.000	1	105.7280	0.000	1	109.2532	10.297	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[3,6]C[3,6]O[3]C)(C[5]O[5]O)(H)	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	H(C[5,6]C[5,6,6]C[3,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[3,6]C[3,6]O[3]C)(C[5]O[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[3,6]C[5])	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	109.2532	10.297	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	109.2532	10.297	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH)	H(C[5,6]C[5,6,6]Si[5]C[6])	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH){1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]Si[5]C[6])	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	109.2532	10.297	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[4,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H)	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C)	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]N[6])	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]N[6])	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0110	0.000	1	110.0110	0.000	1	109.3020	0.602	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2390	0.000	1	108.7420	0.506	2	109.3020	0.602	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2450	0.000	1	108.7420	0.506	2	109.3020	0.602	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7130	0.000	1	109.7130	0.000	1	109.3020	0.602	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H){1|Si<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8995	0.439	2	107.8995	0.193	2	107.8995	0.193	2	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8327	0.085	3	107.8327	0.007	3	107.5770	0.266	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.8100	0.000	1	106.8100	0.000	1	107.5770	0.266	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	110.2100	0.000	1	110.2820	0.106	4	110.2820	0.106	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	110.3060	0.395	3	110.2820	0.106	4	110.2820	0.106	4	108.9115	2.120	21	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6,6]-4:C[3,5]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	H(C[5,6]C[5,6,6]C[3,5]C[6])	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H){2|H<1>,3|C<3>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[3,5]C[6])	111.7190	0.163	2	111.7190	0.026	2	111.7190	0.026	2	110.7308	1.989	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	110.7308	1.989	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7308	1.989	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H)	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[3x6]N[5])	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|S<4>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[3x6]N[5])	108.4047	0.711	3	108.4047	0.506	3	108.4047	0.506	3	107.8459	2.061	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H){1|N<3>,2|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.1085	0.029	2	106.1085	0.001	2	106.1085	0.001	2	107.8459	2.061	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	107.8459	2.061	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.9160	0.000	1	109.9160	0.000	1	109.5665	0.244	2	107.8459	2.061	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2170	0.000	1	109.2170	0.000	1	109.5665	0.244	2	107.8459	2.061	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){10|H<1>,1|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]N[6])	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	107.8459	2.061	9	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(COO)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(COO)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	109.9860	0.010	2	109.9860	0.000	2	109.9860	0.000	2	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.2300	0.453	2	105.2300	0.205	2	105.2300	0.205	2	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H)	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5,6]C[5,6,6]C[5,6]N[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]N[5])	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8630	0.000	2	109.8630	0.000	2	109.8630	0.000	2	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	113.7600	0.000	1	112.8065	1.818	2	112.8065	1.818	2	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.8530	0.000	1	112.8065	1.818	2	112.8065	1.818	2	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.0230	0.000	1	106.0230	0.000	1	106.0230	0.000	1	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2978	2.494	6	109.2978	6.221	6	109.2978	6.221	6	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH){1|N<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	108.1923	0.577	4	108.1923	0.333	4	108.1923	0.333	4	109.0307	5.050	24	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:2:3:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.4340	0.271	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:2:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	109.4340	0.271	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:3:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	108.9110	3.460	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.8280	0.000	1	105.8280	0.000	1	105.8280	0.000	1	108.9110	3.460	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.9110	3.460	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8060	0.054	2	109.8060	0.003	2	109.8060	0.003	2	108.9110	3.460	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[5,6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	109.0595	0.450	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6,6]-4:C[6]-4:N[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){3|C<3>,3|O<2>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.0595	0.450	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H)	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.6180	0.000	1	105.6180	0.000	1	105.7044	0.183	5	105.7044	0.183	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.3700	0.000	1	105.7260	0.240	4	105.7044	0.183	5	105.7044	0.183	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.1480	0.000	2	105.7260	0.240	4	105.7044	0.183	5	105.7044	0.183	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.2380	0.000	1	105.7260	0.240	4	105.7044	0.183	5	105.7044	0.183	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.9070	0.965	3	106.9070	0.932	3	106.9070	0.932	3	106.9070	0.932	3	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	108.4130	0.000	1	108.4130	0.000	1	108.4130	0.000	1	108.6302	0.974	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2280	1.608	2	109.2280	2.586	2	108.8030	1.835	3	108.6302	0.974	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O){4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9530	0.000	1	107.9530	0.000	1	108.8030	1.835	3	108.6302	0.974	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.6302	0.974	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.8070	0.000	1	110.8070	0.000	1	110.8070	0.000	1	108.1028	3.067	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	108.1028	3.067	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3600	0.000	1	107.3600	0.000	1	106.8445	0.531	2	108.1028	3.067	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.3290	0.000	1	106.3290	0.000	1	106.8445	0.531	2	108.1028	3.067	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	108.1028	3.067	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C)	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH){3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	109.7780	0.000	1	109.7780	0.000	1	106.9080	16.474	2	107.8623	6.897	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH){3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	104.0380	0.000	1	104.0380	0.000	1	106.9080	16.474	2	107.8623	6.897	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.3520	0.000	1	109.3520	0.000	1	108.8165	0.574	2	107.8623	6.897	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2810	0.000	1	108.2810	0.000	1	108.8165	0.574	2	107.8623	6.897	4	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H)	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H)	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C)	108.1853	0.079	3	108.1853	0.006	3	108.1853	0.006	3	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	108.0010	0.000	1	108.0010	0.000	1	108.0010	0.000	1	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.5340	0.091	2	109.5340	0.008	2	109.5340	0.008	2	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){3|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.3600	0.291	2	110.3600	0.085	2	110.2203	0.036	7	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.1130	0.000	1	110.1130	0.000	1	110.2203	0.036	7	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.1773	0.155	4	110.1773	0.024	4	110.2203	0.036	7	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.3270	0.000	1	110.7165	0.075	11	110.7039	0.071	16	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.8396	0.282	5	110.7165	0.075	11	110.7039	0.071	16	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.6712	0.221	5	110.7165	0.075	11	110.7039	0.071	16	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.7810	0.023	2	110.6762	0.077	5	110.7039	0.071	16	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	111.0310	0.000	1	110.6762	0.077	5	110.7039	0.071	16	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.3940	0.023	2	110.6762	0.077	5	110.7039	0.071	16	110.1544	0.756	32	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	109.3445	3.762	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	109.3445	3.762	2	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3)	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]C)	112.4640	0.000	1	112.4640	0.000	1	112.4640	0.000	1	107.4432	8.601	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	106.0545	0.177	2	106.0545	0.032	2	106.0545	0.032	2	107.4432	8.601	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:N[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH){11|H<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	107.4432	8.601	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.4432	8.601	5	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.4370	0.182	4	106.4370	0.033	4	106.9487	0.395	15	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	108.7620	0.000	1	107.1348	0.400	11	106.9487	0.395	15	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	107.0040	0.489	5	107.1348	0.400	11	106.9487	0.395	15	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.9180	0.075	2	107.1348	0.400	11	106.9487	0.395	15	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.8165	0.036	2	107.1348	0.400	11	106.9487	0.395	15	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<4>,4|H<1>,4|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	107.2320	0.000	1	107.1348	0.400	11	106.9487	0.395	15	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	105.8660	0.000	1	106.2400	0.280	2	106.2400	0.280	2	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.6140	0.000	1	106.2400	0.280	2	106.2400	0.280	2	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.3991	0.373	16	111.3991	0.139	16	111.3991	0.139	16	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H){4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(H){1|Pt<6>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	108.2100	0.220	4	108.2100	0.048	4	108.2100	0.048	4	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.8680	0.000	1	106.8680	0.000	1	107.4860	0.764	2	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	108.1040	0.000	1	108.1040	0.000	1	107.4860	0.764	2	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.9850	0.000	1	106.9850	0.000	1	107.4640	0.459	2	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.9430	0.000	1	107.9430	0.000	1	107.4640	0.459	2	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.4243	0.411	4	107.4243	0.169	4	107.4243	0.169	4	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8940	0.000	1	107.7045	0.065	4	108.7960	1.312	10	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8850	0.000	1	107.7045	0.065	4	108.7960	1.312	10	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5195	0.240	2	107.7045	0.065	4	108.7960	1.312	10	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8470	0.000	1	107.8470	0.000	1	108.7960	1.312	10	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8885	0.349	2	109.8885	0.122	2	108.7960	1.312	10	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.6960	0.222	2	109.6960	0.049	2	108.7960	1.312	10	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.1260	0.000	1	110.1260	0.000	1	108.7960	1.312	10	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3120	0.662	2	108.3120	0.438	2	108.3120	0.438	2	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	H(C[5,6]C[5,6,6]N[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]N[5,6]C[6])	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	108.8340	3.785	65	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<2>,3|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	107.5610	0.000	1	107.5175	0.004	2	107.5175	0.004	2	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	107.4740	0.000	1	107.5175	0.004	2	107.5175	0.004	2	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C)	109.7603	0.253	3	109.7603	0.064	3	109.7603	0.064	3	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	104.6710	0.000	1	104.6710	0.000	1	104.6710	0.000	1	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.6890	0.004	2	106.6890	0.000	2	106.6890	0.000	2	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	107.8290	2.440	13	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CCH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,1|O<1>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O){1|C<3>,5|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2713	0.211	4	108.2713	0.044	4	108.2713	0.044	4	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO){1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.2140	0.000	2	106.2140	0.000	2	106.2140	0.000	2	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){10|H<1>,1|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){2|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8130	0.000	1	109.8130	0.000	1	110.5850	1.192	2	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.3570	0.000	1	111.3570	0.000	1	110.5850	1.192	2	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	106.9620	0.000	1	106.3505	0.748	2	106.3505	0.748	2	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	105.7390	0.000	1	106.3505	0.748	2	106.3505	0.748	2	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	107.8371	2.201	15	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	108.1460	0.246	2	108.1460	0.061	2	107.5932	0.324	5	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	107.3830	0.255	2	107.3830	0.065	2	107.5932	0.324	5	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C)	106.9080	0.000	1	106.9080	0.000	1	107.5932	0.324	5	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	106.9730	0.080	4	106.9730	0.006	4	106.9730	0.006	4	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.2310	0.000	1	105.2310	0.000	1	105.2310	0.000	1	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH){1|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.4660	0.114	4	106.4660	0.013	4	106.0670	0.394	6	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.2690	0.137	2	105.2690	0.019	2	106.0670	0.394	6	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3100	0.710	2	109.3732	8.197	4	109.3732	8.197	4	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.4365	2.657	2	109.3732	8.197	4	109.3732	8.197	4	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.5900	0.400	2	110.5900	0.160	2	108.3029	3.715	7	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.3420	0.000	1	105.3420	0.000	1	108.3029	3.715	7	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.1765	0.252	2	107.1765	0.064	2	108.3029	3.715	7	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6225	0.312	2	108.6225	0.097	2	108.3029	3.715	7	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.2340	0.000	1	106.2340	0.000	1	105.1350	2.416	2	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	104.0360	0.000	1	104.0360	0.000	1	105.1350	2.416	2	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6950	0.303	2	108.6950	0.092	2	108.4663	0.101	4	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2375	0.035	2	108.2375	0.001	2	108.4663	0.101	4	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	102.6010	0.000	1	102.6010	0.000	1	102.6010	0.000	1	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.2160	0.315	2	106.2160	0.099	2	106.2160	0.099	2	107.2913	3.632	37	110.1138	3.886	1032	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	113.4380	0.567	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	113.8705	0.112	2	113.8705	0.013	2	113.8705	0.013	2	113.4380	0.567	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	108.8332	2.342	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H){7|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	108.8332	2.342	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.0360	0.000	2	108.0360	0.000	2	108.0360	0.000	2	108.8332	2.342	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	113.1660	0.451	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2{1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	113.7130	0.000	1	113.7130	0.000	1	113.7130	0.000	1	113.1660	0.451	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2{1|H<1>,6|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	112.4160	0.000	1	112.4160	0.000	1	112.4160	0.000	1	113.1660	0.451	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.8733	0.140	3	108.8658	0.013	4	108.8658	0.013	4	109.5606	2.156	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.8430	0.000	1	108.8658	0.013	4	108.8658	0.013	4	109.5606	2.156	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	110.7252	0.589	5	110.7252	0.347	5	110.7252	0.347	5	109.5606	2.156	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:2:1:	4:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	H(C[5,6]C[5,6a]C[5,6]N[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6,6])	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	109.5606	2.156	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.9240	0.000	2	108.9240	0.000	2	109.1006	0.420	5	109.1006	0.420	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.1930	0.000	1	108.1930	0.000	1	109.1006	0.420	5	109.1006	0.420	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.7310	0.000	2	109.7310	0.000	2	109.1006	0.420	5	109.1006	0.420	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	H(C[5,6]C[5,5a]C[6,6a]C[5,6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,5a]C[6,6a]C[5,6])	110.4955	0.170	2	110.4955	0.029	2	110.4955	0.029	2	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.8105	0.511	2	109.8105	0.261	2	109.8105	0.261	2	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	108.2410	0.000	1	108.8565	0.875	4	109.1326	1.037	5	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.7130	0.000	1	108.8565	0.875	4	109.1326	1.037	5	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	107.8750	0.000	1	108.8565	0.875	4	109.1326	1.037	5	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.5970	0.000	1	108.8565	0.875	4	109.1326	1.037	5	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	110.2370	0.000	1	110.2370	0.000	1	109.1326	1.037	5	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	104.2230	0.000	1	104.2230	0.000	1	104.2230	0.000	1	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	110.3810	0.000	1	108.7610	5.249	2	109.9973	7.210	3	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	107.1410	0.000	1	108.7610	5.249	2	109.9973	7.210	3	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	112.4700	0.000	1	112.4700	0.000	1	109.9973	7.210	3	109.3177	3.849	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.3650	0.000	1	109.3650	0.000	1	108.5275	1.491	4	108.9369	1.024	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.7760	0.000	1	108.2483	1.768	3	108.5275	1.491	4	108.9369	1.024	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	107.4845	0.190	2	108.2483	1.768	3	108.5275	1.491	4	108.9369	1.024	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.4827	0.234	3	109.4827	0.055	3	109.4827	0.055	3	108.9369	1.024	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	114.5265	4.665	2	114.5265	21.760	2	114.5265	21.760	2	110.7901	3.388	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:1:1:	4:	N[3x5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2	H(C[5,6]N[3x5,6]C[5,6]H)	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]N[3x5,6]C[5,6]H)	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	110.7901	3.388	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.4400	0.037	2	110.4400	0.001	2	110.4400	0.001	2	110.7901	3.388	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|S<4>,4|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.5325	0.025	2	110.5325	0.001	2	110.2471	0.062	12	110.7901	3.388	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.6255	0.026	2	110.6255	0.001	2	110.2471	0.062	12	110.7901	3.388	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.1060	0.030	4	110.1060	0.001	4	110.2471	0.062	12	110.7901	3.388	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.0563	0.031	4	110.0563	0.001	4	110.2471	0.062	12	110.7901	3.388	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:2:4:	4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7020	3.550	2	111.7020	12.600	2	111.7020	12.600	2	111.7020	12.600	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:3:4:	4:	P[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]P[5,6]H)	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	H(C[5,6]C[5,6]P[5,6]H)	110.2400	0.051	2	110.2400	0.003	2	110.2400	0.003	2	110.2400	0.003	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6]N[5,5,6]HH)(SC[6a]OO)(H)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2{1|S<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6]N[5,5,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.6350	0.024	2	110.6350	0.001	2	110.6350	0.001	2	110.6350	0.001	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	3:4:2:1:	4:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]N[5,5,6]C[5,6]O[5])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]N[5,5,6]C[5,6]O[5])	108.1060	1.252	2	108.1060	1.566	2	108.1060	1.566	2	108.1060	1.566	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	3:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	3:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.7300	0.895	6	109.7300	0.801	6	109.7300	0.801	6	109.7300	0.801	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	3:4:4:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:2:4:4:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:Br-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br){4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	108.0380	0.322	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	107.7465	0.367	2	107.7465	0.135	2	107.7465	0.135	2	108.0380	0.322	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	111.7687	5.398	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.7687	5.398	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	111.7687	5.398	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]O[5])	110.1595	0.043	2	110.1595	0.002	2	110.1595	0.002	2	111.7687	5.398	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]O[5])	116.8830	0.000	1	116.8830	0.000	1	116.8830	0.000	1	111.7687	5.398	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]N[6,6a]C[5,6]O[5])	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]N[6,6a]C[5,6]O[5])	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	111.7687	5.398	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.8240	0.479	2	110.8240	0.230	2	110.4990	0.432	3	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,6]2O[5])	109.8490	0.000	1	109.8490	0.000	1	110.4990	0.432	3	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5])	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5])	109.4980	0.000	1	109.4980	0.000	1	109.8430	0.238	2	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5])	110.1880	0.000	1	110.1880	0.000	1	109.8430	0.238	2	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.8380	0.322	2	109.8380	0.104	2	109.9952	0.142	4	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.1525	0.472	2	110.1525	0.222	2	109.9952	0.142	4	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.6260	0.000	1	109.7025	0.012	2	109.7025	0.012	2	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.7790	0.000	1	109.7025	0.012	2	109.7025	0.012	2	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.7140	0.000	1	109.7140	0.000	1	109.6682	0.113	5	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.6568	0.388	4	109.6568	0.150	4	109.6682	0.113	5	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.9805	0.439	8	109.9805	0.193	8	110.0111	0.155	10	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]N[5a,6]C[5,6]N[5])	110.1335	0.081	2	110.1335	0.007	2	110.0111	0.155	10	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.1528	0.314	11	109.2275	0.073	17	109.2424	0.072	18	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.3860	0.000	2	109.2275	0.073	17	109.2424	0.072	18	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|N<3>,2|C<3>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.3535	0.014	4	109.2275	0.073	17	109.2424	0.072	18	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.4960	0.000	1	109.4960	0.000	1	109.2424	0.072	18	109.6902	0.287	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:2:	4:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	109.7710	0.361	4	109.7710	0.131	4	109.7710	0.131	4	109.7710	0.131	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:2:4:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5])	109.8480	0.000	2	109.8480	0.000	2	109.8480	0.000	2	109.8480	0.000	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	108.1680	0.140	2	108.1680	0.020	2	108.1680	0.020	2	109.3414	1.957	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.5780	0.000	1	111.5780	0.000	1	111.5780	0.000	1	109.3414	1.957	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.3414	1.957	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	109.3414	1.957	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	111.3665	0.153	2	111.3665	0.024	2	111.3665	0.024	2	111.3665	0.024	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.0270	0.031	2	111.2153	0.107	3	111.2153	0.107	3	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.5920	0.000	1	111.2153	0.107	3	111.2153	0.107	3	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	H(C[5,6]C[5,6a]C[5,6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	H(C[5,6]C[5,6a]C[5,6]S[6])	109.3670	0.000	1	109.3670	0.000	1	109.1550	0.090	2	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	H(C[5,6]C[5,6a]C[5,6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	H(C[5,6]C[5,6a]C[5,6]S[6])	108.9430	0.000	1	108.9430	0.000	1	109.1550	0.090	2	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5a,6]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5a,6]C[5,6]O[5,6])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]O[5,6])	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.6475	0.904	2	108.6475	0.818	2	108.1329	0.567	17	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	107.7910	0.793	6	107.8346	0.380	12	108.1329	0.567	17	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	107.8782	0.448	6	107.8346	0.380	12	108.1329	0.567	17	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.1630	0.000	1	109.2095	0.004	2	108.1329	0.567	17	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.2560	0.000	1	109.2095	0.004	2	108.1329	0.567	17	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Se<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.5300	0.000	1	108.5300	0.000	1	108.1329	0.567	17	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.4050	0.000	1	109.4050	0.000	1	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.3140	0.000	1	108.3140	0.000	1	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.9613	0.683	3	109.9613	0.467	3	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2590	0.000	1	109.2590	0.000	1	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.8000	0.000	1	109.4710	0.216	2	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.1420	0.000	1	109.4710	0.216	2	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.1520	0.000	1	111.1520	0.000	1	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.0325	0.282	2	109.0325	0.080	2	109.5474	0.649	11	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.1065	0.050	2	109.1065	0.003	2	109.1883	0.182	19	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2700	0.000	1	109.2700	0.000	1	109.1883	0.182	19	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2660	0.245	2	109.3697	0.125	10	109.1883	0.182	19	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.3956	0.385	8	109.3697	0.125	10	109.1883	0.182	19	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.4710	0.000	1	109.4710	0.000	1	109.1883	0.182	19	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.7854	0.476	5	108.7854	0.226	5	109.1883	0.182	19	109.1214	1.160	54	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:2:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	108.9721	1.126	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH){1|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	108.9721	1.126	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.9485	0.337	2	108.9485	0.114	2	108.8605	0.175	4	108.9721	1.126	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.7725	0.616	2	108.7725	0.379	2	108.8605	0.175	4	108.9721	1.126	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:2:1:	4:4:4:4:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.5885	0.541	2	108.5885	0.293	2	108.5885	0.293	2	108.9721	1.126	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	3:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	3:4:3:4:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	3:4:4:1:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H){1|C<4>,6|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.2080	0.000	1	109.2080	0.000	1	109.1460	0.008	2	109.6113	0.653	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	3:4:4:1:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.0840	0.000	1	109.0840	0.000	1	109.1460	0.008	2	109.6113	0.653	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	3:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	109.6113	0.653	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	3:4:4:3:	4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	H(C[5,6]C[5,5a]C[5,6]N[6])	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	H(C[5,6]C[5,5a]C[5,6]N[6])	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	116.4170	0.000	1	116.4170	0.000	1	116.4170	0.000	1	116.4170	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.4882	0.770	6	108.6930	0.788	7	108.6930	0.788	7	108.6930	0.788	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.9220	0.000	1	108.6930	0.788	7	108.6930	0.788	7	108.6930	0.788	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	110.7010	1.019	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:3:1:	4:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]N[5,6]N[5])	111.2670	0.339	2	111.2670	0.115	2	111.2670	0.115	2	110.7010	1.019	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.4090	0.306	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:4:1:	4:	N[5,5]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.4090	0.306	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:4:3:	4:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	H(C[5,6]C[5a,6]C[5,6]N[5,6])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5,6])	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	107.5307	11.087	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.5290	0.000	1	106.8277	13.664	3	106.8277	13.664	3	107.5307	11.087	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.3390	0.000	1	106.8277	13.664	3	106.8277	13.664	3	107.5307	11.087	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	102.6150	0.000	1	106.8277	13.664	3	106.8277	13.664	3	107.5307	11.087	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:3:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	113.4340	0.000	1	113.4340	0.000	1	112.9520	0.211	3	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.7110	0.272	2	112.7110	0.074	2	112.9520	0.211	3	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	114.0100	0.000	1	114.0100	0.000	1	114.4320	0.356	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	114.8540	0.000	1	114.8540	0.000	1	114.4320	0.356	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5])	112.8450	0.000	1	112.8450	0.000	1	112.7640	0.013	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5])	112.6830	0.000	1	112.6830	0.000	1	112.7640	0.013	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.0440	0.000	1	113.0440	0.000	1	114.4720	4.078	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	115.9000	0.000	1	115.9000	0.000	1	114.4720	4.078	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	112.6150	0.000	1	112.6150	0.000	1	112.2990	0.200	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	111.9830	0.000	1	111.9830	0.000	1	112.2990	0.200	2	113.3445	1.330	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1790	0.123	2	112.1790	0.015	2	112.1790	0.015	2	110.4133	5.019	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.9590	0.000	1	109.0795	2.511	2	109.0795	2.511	2	110.4133	5.019	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.2000	0.000	1	109.0795	2.511	2	109.0795	2.511	2	110.4133	5.019	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	110.4133	5.019	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	110.4133	5.019	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1	110.4133	5.019	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:2:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:2:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:N-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO){1|S<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	H(C[5,6]C[5,5a]C[5,6]C[6])	111.8490	0.000	1	111.8490	0.000	1	111.8490	0.000	1	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.9610	0.000	1	111.9610	0.000	1	108.9488	2.524	6	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.4490	0.279	2	108.5877	0.096	3	108.9488	2.524	6	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.8650	0.000	1	108.5877	0.096	3	108.9488	2.524	6	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.9845	1.050	2	107.9845	1.103	2	108.9488	2.524	6	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]C[5])	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	106.9550	0.000	1	106.9550	0.000	1	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.6080	0.000	1	107.6080	0.000	1	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.0575	0.715	2	110.4351	1.277	7	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	109.1250	0.000	1	110.4351	1.277	7	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.2780	0.000	1	110.4351	1.277	7	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.8040	1.177	2	110.4351	1.277	7	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5a,6]C[5,6]C[5])	108.9200	0.000	1	110.4351	1.277	7	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.2940	0.000	1	111.2940	0.000	1	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.2000	0.000	1	111.2000	0.000	1	110.0094	2.710	11	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9957	0.900	3	109.1803	0.677	4	109.2526	0.534	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.7340	0.000	1	109.1803	0.677	4	109.2526	0.534	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.5420	0.000	1	109.5420	0.000	1	109.2526	0.534	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.6375	2.234	2	108.6375	4.990	2	108.6375	4.990	2	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.9990	0.000	1	112.9990	0.000	1	112.9990	0.000	1	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.0163	0.369	3	109.5150	0.546	5	108.8583	1.622	7	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.2630	0.211	2	109.5150	0.546	5	108.8583	1.622	7	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.2165	0.045	2	107.2165	0.002	2	108.8583	1.622	7	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.4285	0.279	2	109.4285	0.078	2	109.4285	0.078	2	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H){1|C<4>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	111.0320	0.000	1	111.0320	0.000	1	109.8912	0.633	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2770	0.000	1	109.2770	0.000	1	109.8912	0.633	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.4120	0.000	1	109.9545	0.419	2	109.8912	0.633	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4970	0.000	1	109.9545	0.419	2	109.8912	0.633	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2380	0.000	1	109.2380	0.000	1	109.8912	0.633	5	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3230	0.136	2	109.3230	0.018	2	109.3230	0.018	2	109.5498	2.254	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:3:	4:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2	H(C[5,6]C[5,6,6a]C[5,6]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6,6a]C[5,6]C[5])	108.4220	0.445	2	108.4220	0.198	2	108.4220	0.198	2	108.9628	0.368	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	108.9628	0.368	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	108.9628	0.368	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.9628	0.368	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:P[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	106.5310	0.625	2	106.5310	0.391	2	106.5310	0.391	2	107.7343	2.192	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9375	0.629	2	108.9375	0.395	2	108.9375	0.395	2	107.7343	2.192	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	H(C[5,6]C[5,5a]C[5,6]N[6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,5a]C[5,6]N[6])	111.4673	2.413	3	111.4673	5.821	3	111.4673	5.821	3	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	109.7090	0.000	1	109.7090	0.000	1	110.0037	0.041	4	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	110.1020	0.057	3	110.1020	0.003	3	110.0037	0.041	4	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5a,6]C[5,6]N[5,6])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5,6])	109.9130	0.185	2	109.9130	0.034	2	109.9130	0.034	2	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1870	0.000	1	107.1870	0.000	1	108.8140	3.831	3	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.2690	0.000	1	108.2690	0.000	1	108.8140	3.831	3	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.9860	0.000	1	110.9860	0.000	1	108.8140	3.831	3	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.2725	0.255	2	110.2725	0.065	2	110.3560	0.065	7	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.3894	0.275	5	110.3894	0.076	5	110.3560	0.065	7	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.3010	0.417	2	109.3010	0.174	2	109.3010	0.174	2	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.5785	0.186	2	108.5785	0.035	2	109.1381	0.518	13	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.3190	0.000	1	108.3190	0.000	1	109.1381	0.518	13	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2342	0.934	6	109.3319	0.501	10	109.1381	0.518	13	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<5>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4680	0.000	2	109.3319	0.501	10	109.1381	0.518	13	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4890	0.000	2	109.3319	0.501	10	109.1381	0.518	13	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.5510	0.000	1	109.5510	0.000	1	108.5785	0.483	10	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2970	0.025	2	109.2970	0.001	2	108.5785	0.483	10	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	107.8865	0.320	4	107.8865	0.102	4	108.5785	0.483	10	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.8110	0.168	2	108.8110	0.028	2	108.5785	0.483	10	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.4720	0.000	1	108.4720	0.000	1	108.5785	0.483	10	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9150	0.000	1	108.9150	0.000	1	109.5930	0.363	3	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7960	0.000	1	109.7960	0.000	1	109.5930	0.363	3	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.0680	0.000	1	110.0680	0.000	1	109.5930	0.363	3	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	109.3810	1.588	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2180	0.000	1	109.2180	0.000	1	109.8607	0.123	7	109.8607	0.123	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8445	0.080	2	109.8445	0.006	2	109.8607	0.123	7	109.8607	0.123	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.0295	0.259	4	110.0295	0.067	4	109.8607	0.123	7	109.8607	0.123	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[5,5,6]-3:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[5]C)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3600	0.000	1	108.3600	0.000	1	108.3600	0.000	1	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.9390	0.761	3	108.9390	0.579	3	108.6542	0.711	4	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	107.8000	0.000	1	107.8000	0.000	1	108.6542	0.711	4	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7060	0.000	1	109.7060	0.000	1	109.3368	0.362	14	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8820	0.202	2	109.8820	0.041	2	109.3368	0.362	14	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.3580	0.000	1	108.3580	0.000	1	109.3368	0.362	14	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.5810	0.166	3	108.5810	0.028	3	109.3368	0.362	14	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.1700	0.239	2	109.1700	0.057	2	109.3368	0.362	14	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7608	0.219	5	109.7608	0.048	5	109.3368	0.362	14	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7040	0.450	2	109.7040	0.202	2	109.7040	0.202	2	109.1952	0.485	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.8295	0.394	2	107.3290	0.829	3	107.3450	0.554	4	106.9938	1.032	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[6])	106.3280	0.000	1	107.3290	0.829	3	107.3450	0.554	4	106.9938	1.032	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.3930	0.000	1	107.3930	0.000	1	107.3450	0.554	4	106.9938	1.032	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:3:1:	4:4:4:4:	4:	N[5,6]-3:C[5,6]-4:Si[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H)	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5,6]C[5,6]N[5,6]Si[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H){1|N<3>,2|C<3>,6|H<1>,7|C<4>}	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]Si[6])	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	106.9938	1.032	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9217	1.234	6	109.9217	1.524	6	109.9217	1.524	6	109.9217	1.524	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:2:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H){1|C<4>,6|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.4640	0.000	1	111.4640	0.000	1	110.6910	1.195	2	109.9477	2.255	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9180	0.000	1	109.9180	0.000	1	110.6910	1.195	2	109.9477	2.255	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	109.9477	2.255	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:3:2:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.4245	0.157	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:3:2:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	107.4245	0.157	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H){3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	107.8664	0.843	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H){3|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	107.8664	0.843	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.6600	0.619	2	107.6600	0.384	2	107.6071	0.114	10	107.8664	0.843	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,5|H<1>}	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.7680	0.308	4	107.7680	0.095	4	107.6071	0.114	10	107.8664	0.843	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	3:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.4197	0.191	4	107.4197	0.036	4	107.6071	0.114	10	107.8664	0.843	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.6080	0.202	2	109.6080	0.041	2	109.6080	0.041	2	109.6080	0.041	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.3575	0.175	2	111.3575	0.031	2	110.7390	1.163	3	110.7390	1.163	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.5020	0.000	1	109.5020	0.000	1	110.7390	1.163	3	110.7390	1.163	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	109.5390	1.678	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	109.5390	1.678	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.1735	1.654	2	110.1735	2.735	2	110.1735	2.735	2	110.0353	1.425	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:3:4:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	110.0353	1.425	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1510	0.000	1	109.1510	0.000	1	110.6303	1.803	3	110.6303	1.803	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.7720	0.000	1	111.7720	0.000	1	110.6303	1.803	3	110.6303	1.803	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.9680	0.000	1	110.9680	0.000	1	110.6303	1.803	3	110.6303	1.803	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:4:2:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[4]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6])	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6]){2|C<3>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:2:4:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	102.8050	0.000	1	102.8050	0.000	1	102.8050	0.000	1	102.8050	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.1803	1.542	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{2|Br<1>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	111.8360	0.000	1	111.8360	0.000	1	110.7920	2.180	2	111.1803	1.542	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.7480	0.000	1	109.7480	0.000	1	110.7920	2.180	2	111.1803	1.542	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]2)	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	109.7870	1.401	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	109.7870	1.401	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	H(C[5,6]C[5,6a]C[5,6]2)	109.0375	0.163	2	109.0375	0.027	2	109.0375	0.027	2	108.6837	0.389	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H){1|O<2>,3|H<1>,3|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO){1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	108.6837	0.389	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5a]C[5,6]C[6])	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.4015	0.230	2	110.4015	0.053	2	110.4015	0.053	2	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7830	0.000	1	107.7830	0.000	1	108.1480	1.433	8	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.5435	1.696	4	108.5435	2.875	4	108.1480	1.433	8	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7423	0.276	3	107.7423	0.076	3	108.1480	1.433	8	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	H(C[5,6]C[5a,6]C[5,5]C[5,6])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,5]C[5,6])	111.3105	0.180	2	111.3105	0.033	2	111.3105	0.033	2	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:1:	4:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	H(C[5,6]N[5,5a]C[5,6]C[6])	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,5a]C[5,6]C[6])	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	109.3265	2.645	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:2:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	107.9310	0.472	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.1810	0.000	1	107.1810	0.000	1	107.6320	0.407	2	107.9310	0.472	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.0830	0.000	1	108.0830	0.000	1	107.6320	0.407	2	107.9310	0.472	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.3690	0.000	1	112.3690	0.000	1	112.1208	0.123	8	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.9500	0.000	1	111.9500	0.000	1	112.1208	0.123	8	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.3530	0.000	1	112.3530	0.000	1	112.1208	0.123	8	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.8423	0.322	3	111.9115	0.088	4	112.1208	0.123	8	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1190	0.000	1	111.9115	0.088	4	112.1208	0.123	8	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.6480	0.000	1	112.6480	0.000	1	112.1208	0.123	8	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.5900	0.000	1	112.5900	0.000	1	112.5490	0.003	2	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.5080	0.000	1	112.5080	0.000	1	112.5490	0.003	2	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2{1|C<4>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	111.6570	0.000	1	111.6570	0.000	1	112.6748	0.332	5	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.9560	0.000	1	112.9560	0.000	1	112.6748	0.332	5	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.9203	0.128	3	112.9203	0.016	3	112.6748	0.332	5	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2	H(C[5,6]N[5,5,6]C[5,6]C[5])	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,5,6]C[5,6]C[5])	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	112.2138	0.384	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.3900	0.000	1	110.3900	0.000	1	109.5235	1.502	2	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	108.6570	0.000	1	108.6570	0.000	1	109.5235	1.502	2	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	110.2195	0.023	2	109.8260	0.163	5	109.8260	0.163	5	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	109.5637	0.261	3	109.8260	0.163	5	109.8260	0.163	5	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.3275	0.049	2	109.3275	0.002	2	109.3275	0.002	2	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3465	0.599	2	108.3465	0.359	2	108.3522	0.233	6	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3550	0.519	4	108.3550	0.269	4	108.3522	0.233	6	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.1883	1.107	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:2:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.4377	0.235	4	109.4377	0.055	4	109.4377	0.055	4	109.4377	0.055	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5a]C[5,6]C[6])	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	105.4420	0.000	2	105.4420	0.000	2	105.4420	0.000	2	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.4450	0.000	1	112.4450	0.000	1	112.3585	0.015	2	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.2720	0.000	1	112.2720	0.000	1	112.3585	0.015	2	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0687	0.601	3	108.0687	0.362	3	108.0687	0.362	3	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3110	0.000	1	108.3110	0.000	1	109.9693	2.074	3	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.6930	0.000	1	110.6930	0.000	1	109.9693	2.074	3	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.9040	0.000	1	110.9040	0.000	1	109.9693	2.074	3	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.2140	0.000	1	108.2140	0.000	1	108.1009	0.089	8	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.9930	0.349	2	107.9930	0.122	2	108.1009	0.089	8	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.7190	0.000	1	108.7190	0.000	1	108.1009	0.089	8	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0740	0.000	1	107.9967	0.006	3	108.1009	0.089	8	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.9580	0.059	2	107.9967	0.006	3	108.1009	0.089	8	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8980	0.000	1	107.8980	0.000	1	108.1009	0.089	8	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H){4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.5290	0.000	1	108.5290	0.000	1	108.1893	0.064	6	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3210	0.000	1	108.3210	0.000	1	108.1893	0.064	6	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.9600	0.276	2	108.0715	0.043	4	108.1893	0.064	6	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1830	0.062	2	108.0715	0.043	4	108.1893	0.064	6	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	108.8410	0.000	1	109.0865	0.121	2	109.0865	0.121	2	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	109.3320	0.000	1	109.0865	0.121	2	109.0865	0.121	2	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.0083	0.297	4	108.2372	0.182	6	108.2372	0.182	6	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.6950	0.127	2	108.2372	0.182	6	108.2372	0.182	6	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	H(C[5,6]N[5a,6]C[5,6]C[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]N[5a,6]C[5,6]C[5])	109.0900	0.420	4	109.0900	0.177	4	109.0900	0.177	4	108.6231	1.979	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:2:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	H(C[5,6]C[5,6a]C[5,6]2)	109.0580	0.161	2	109.0580	0.026	2	109.0580	0.026	2	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7930	0.000	1	107.7930	0.000	1	108.2405	0.401	2	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.6880	0.000	1	108.6880	0.000	1	108.2405	0.401	2	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.7460	0.078	2	107.7460	0.006	2	108.1040	1.723	6	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.0320	0.864	3	109.0320	0.747	3	108.1040	1.723	6	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO){6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.0360	0.000	1	106.0360	0.000	1	108.1040	1.723	6	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO){1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.6690	0.000	1	106.6690	0.000	1	106.6690	0.000	1	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	105.6350	0.000	1	105.6350	0.000	1	107.1850	4.805	2	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.7350	0.000	1	108.7350	0.000	1	107.1850	4.805	2	108.0200	1.614	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	105.5255	0.226	2	105.5255	0.051	2	105.5255	0.051	2	106.5759	1.518	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	106.5759	1.518	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	106.6825	0.788	2	106.6825	0.622	2	106.6825	0.622	2	106.5759	1.518	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	106.5759	1.518	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3){2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	106.5759	1.518	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	109.5408	0.081	5	109.5408	0.007	5	109.5408	0.007	5	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	110.8610	0.000	1	110.8610	0.000	1	110.8610	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[5])	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	109.8930	0.000	1	109.8930	0.000	1	108.8285	0.745	4	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.8170	0.132	2	108.8170	0.017	2	108.8285	0.745	4	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.7870	0.000	1	107.7870	0.000	1	108.8285	0.745	4	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]2)	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.0700	0.000	1	109.0700	0.000	1	106.9902	1.575	5	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.4702	0.545	4	106.4702	0.297	4	106.9902	1.575	5	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.9470	0.000	1	107.9470	0.000	1	107.9470	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7230	0.000	1	107.7230	0.000	1	108.5220	3.151	6	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5805	0.295	2	106.5805	0.087	2	108.5220	3.151	6	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.0827	0.301	3	110.0827	0.091	3	108.5220	3.151	6	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	110.2280	0.021	2	109.8096	0.187	5	109.8096	0.187	5	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	109.5307	0.287	3	109.8096	0.187	5	109.8096	0.187	5	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0793	0.160	3	108.5310	1.005	6	108.9517	1.212	9	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.9827	1.370	3	108.5310	1.005	6	108.9517	1.212	9	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.2505	0.477	2	109.7930	0.742	3	108.9517	1.212	9	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.8780	0.000	1	109.7930	0.742	3	108.9517	1.212	9	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H){1|S<2>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.8240	0.000	1	109.8240	0.000	1	109.7375	0.015	2	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	109.6510	0.000	1	109.6510	0.000	1	109.7375	0.015	2	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	107.9797	0.407	16	107.9797	0.166	16	107.9797	0.166	16	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	110.3500	0.219	2	110.3500	0.048	2	110.1307	0.168	3	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	H(C[5,6]N[5,6,6]C[5,6]C[6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6,6]C[5,6]C[6])	109.6920	0.000	1	109.6920	0.000	1	110.1307	0.168	3	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]C[6])	111.0520	0.000	1	111.0520	0.000	1	110.2102	0.514	9	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.8880	0.919	4	110.1050	0.473	8	110.2102	0.514	9	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	110.3220	0.366	4	110.1050	0.473	8	110.2102	0.514	9	108.9170	1.586	72	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:2:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	111.1442	0.774	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:2:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.7303	0.364	3	110.7303	0.133	3	110.7303	0.133	3	111.1442	0.774	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3850	0.124	4	108.3850	0.015	4	108.3850	0.015	4	108.2237	0.104	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,8|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.6160	0.000	1	107.6160	0.000	1	107.9010	0.162	2	108.2237	0.104	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1860	0.000	1	108.1860	0.000	1	107.9010	0.162	2	108.2237	0.104	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	106.7990	0.000	1	106.7990	0.000	1	106.7865	0.000	2	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	106.7740	0.000	1	106.7740	0.000	1	106.7865	0.000	2	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2710	0.000	1	105.8687	0.838	6	105.8687	0.838	6	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6590	0.000	1	105.8687	0.838	6	105.8687	0.838	6	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8230	0.000	1	105.8687	0.838	6	105.8687	0.838	6	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2330	0.000	1	105.8687	0.838	6	105.8687	0.838	6	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8600	0.000	1	105.8687	0.838	6	105.8687	0.838	6	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3660	0.000	1	105.8687	0.838	6	105.8687	0.838	6	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	106.6645	0.822	2	106.6645	0.676	2	106.6645	0.676	2	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.2190	0.000	1	109.2190	0.000	1	108.5420	0.917	2	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8650	0.000	1	107.8650	0.000	1	108.5420	0.917	2	106.5607	1.404	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(C[5,6]C[5,6]O[5]O[6])	109.5225	1.220	2	109.5225	1.488	2	109.5225	1.488	2	109.5225	1.488	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:3:2:2:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	109.6895	1.410	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:3:2:2:	4:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	H(C[5,6]C[5,6]O[6]S[5])	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[6]S[5])	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	109.6895	1.410	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:1:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.0490	0.000	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2{4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.0490	0.000	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]N[5]O[6])	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]O[5,6]O[5])	109.8290	0.000	1	109.8290	0.000	1	110.5298	2.054	5	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	109.9130	0.000	1	110.7050	2.535	4	110.5298	2.054	5	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]O[5])	109.9230	0.000	1	110.7050	2.535	4	110.5298	2.054	5	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]O[5,6]O[5])	113.0930	0.000	1	110.7050	2.535	4	110.5298	2.054	5	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6]O[5,6]O[5])	109.8910	0.000	1	110.7050	2.535	4	110.5298	2.054	5	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	108.8660	0.000	1	110.0201	3.246	33	110.0201	3.246	33	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	110.1210	0.000	1	110.0201	3.246	33	110.0201	3.246	33	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	109.8090	0.904	3	110.0201	3.246	33	110.0201	3.246	33	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	109.1830	0.000	1	110.0201	3.246	33	110.0201	3.246	33	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	110.1135	1.959	27	110.0201	3.246	33	110.0201	3.246	33	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	109.5010	0.000	1	110.4995	1.994	2	110.1137	1.444	3	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	111.4980	0.000	1	110.4995	1.994	2	110.1137	1.444	3	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	109.3420	0.000	1	109.3420	0.000	1	110.1137	1.444	3	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.7285	0.022	2	110.7285	0.000	2	110.7285	0.000	2	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:2:1:	4:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[6]S[5])	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5,6]C[5,6]O[6]S[5])	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	110.0793	2.701	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	109.2600	0.000	1	109.2600	0.000	1	108.8015	0.420	2	108.8015	0.420	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	108.3430	0.000	1	108.3430	0.000	1	108.8015	0.420	2	108.8015	0.420	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:3:2:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN){2|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	110.5610	0.369	2	110.5610	0.136	2	110.5610	0.136	2	110.5610	0.136	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:3:3:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	108.6750	0.359	2	108.6750	0.129	2	108.6750	0.129	2	108.6750	0.129	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	107.8320	0.000	1	109.3427	1.746	3	109.3427	1.746	3	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	109.9120	0.000	1	109.3427	1.746	3	109.3427	1.746	3	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.2840	0.000	1	109.3427	1.746	3	109.3427	1.746	3	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	111.1850	0.000	1	111.1850	0.000	1	110.8175	0.270	2	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,5|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.4500	0.000	1	110.4500	0.000	1	110.8175	0.270	2	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.5705	0.165	2	110.5705	0.027	2	110.5705	0.027	2	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	107.9530	0.000	1	107.9530	0.000	1	109.4470	1.943	4	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.6345	0.016	2	110.6345	0.000	2	109.4470	1.943	4	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	108.5660	0.000	1	108.5660	0.000	1	109.4470	1.943	4	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	110.4560	0.000	1	110.2975	0.050	2	110.2975	0.050	2	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	110.1390	0.000	1	110.2975	0.050	2	110.2975	0.050	2	109.9719	1.045	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:2:1:	4:4:4:2:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN){2|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.2650	0.000	1	109.2650	0.000	1	108.5500	0.390	3	108.5500	0.390	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.1925	0.114	2	108.1925	0.013	2	108.5500	0.390	3	108.5500	0.390	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	3:4:4:4:	4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.6830	0.864	2	107.6830	0.747	2	107.6830	0.747	2	107.6830	0.747	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:3:3:1:	4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.7415	0.383	4	110.7415	0.147	4	110.7415	0.147	4	110.7415	0.147	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:3:4:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	112.5420	0.000	1	112.5420	0.000	1	112.4680	0.032	4	112.4680	0.032	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:3:4:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	112.3360	0.137	2	112.4433	0.044	3	112.4680	0.032	4	112.4680	0.032	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:3:4:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Se<2>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	112.6580	0.000	1	112.4433	0.044	3	112.4680	0.032	4	112.4680	0.032	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:3:4:4:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9375	0.514	2	109.9375	0.264	2	109.9375	0.264	2	110.2218	0.219	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5060	0.263	2	110.5060	0.069	2	110.5060	0.069	2	110.2218	0.219	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:2:4:	4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	110.6979	7.269	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	110.6979	7.269	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H){1|O<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	110.6979	7.269	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	110.6979	7.269	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	109.1847	0.375	3	109.1847	0.140	3	109.1847	0.140	3	110.6979	7.269	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:3:4:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]O[5,6]C[5])	112.2340	0.000	1	110.8695	3.724	2	110.8695	3.724	2	110.8695	3.724	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:3:4:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	109.5050	0.000	1	110.8695	3.724	2	110.8695	3.724	2	110.8695	3.724	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	111.6880	0.120	2	111.6880	0.014	2	111.6880	0.014	2	111.2100	0.319	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	110.7320	0.168	2	110.7320	0.028	2	110.7320	0.028	2	111.2100	0.319	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:4:3:	4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:3:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	3:4:3:4:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.8760	0.000	1	107.8760	0.000	1	108.9243	1.512	3	108.9243	1.512	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6190	0.000	1	108.6190	0.000	1	108.9243	1.512	3	108.9243	1.512	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.2780	0.000	1	110.2780	0.000	1	108.9243	1.512	3	108.9243	1.512	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	3:4:4:2:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	3:4:4:3:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2180	0.320	4	109.2180	0.102	4	109.2180	0.102	4	109.2180	0.102	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:2:4:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	111.4115	0.049	2	111.4115	0.002	2	111.4115	0.002	2	110.4701	2.805	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4935	0.598	2	110.4935	0.357	2	110.4935	0.357	2	110.4701	2.805	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:2:4:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.2670	3.055	2	110.2670	9.331	2	109.9878	5.524	4	110.4701	2.805	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:2:4:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.7085	2.633	2	109.7085	6.930	2	109.9878	5.524	4	110.4701	2.805	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.3231	0.530	7	111.3231	0.281	7	110.9100	1.606	8	110.5530	1.848	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	108.0180	0.000	1	108.0180	0.000	1	110.9100	1.606	8	110.5530	1.848	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	110.5530	1.848	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	110.5530	1.848	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	111.6630	0.000	1	110.7265	1.754	2	110.7265	1.754	2	110.7265	1.754	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	109.7900	0.000	1	110.7265	1.754	2	110.7265	1.754	2	110.7265	1.754	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	110.6270	0.000	1	110.6270	0.000	1	110.6270	0.000	1	111.2665	0.818	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	111.2665	0.818	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	111.5132	5.419	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	110.3450	0.000	1	110.3450	0.000	1	111.6133	8.068	3	111.5132	5.419	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	109.6280	0.000	1	109.6280	0.000	1	111.6133	8.068	3	111.5132	5.419	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	114.8670	0.000	1	114.8670	0.000	1	111.6133	8.068	3	111.5132	5.419	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.9190	0.228	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	109.9190	0.228	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:N[5,6]-3:Br-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H)	H(C[5,6]C[5,6]N[5,6]Br)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]Br)	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	111.1388	1.005	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.2948	1.085	4	111.2948	1.178	4	111.2948	1.178	4	111.1388	1.005	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	3:4:3:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]N[5,6]H)	112.3150	1.785	2	112.3150	3.185	2	112.3150	3.185	2	112.3150	3.185	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2{2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.2950	0.070	3	111.2950	0.005	3	111.2950	0.005	3	111.2950	0.005	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.2330	0.024	2	111.2330	0.001	2	111.2330	0.001	2	112.3503	3.907	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{2|Br<1>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.5545	0.019	2	111.5545	0.000	2	112.9090	5.263	4	112.3503	3.907	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	114.2635	2.907	2	114.2635	8.450	2	112.9090	5.263	4	112.3503	3.907	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.6555	0.052	2	111.6555	0.003	2	111.6555	0.003	2	111.6555	0.003	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	112.3850	1.995	2	112.3850	3.982	2	112.3850	3.982	2	112.3850	3.982	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:2:4:	4:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	108.0535	0.276	2	108.0535	0.076	2	108.0535	0.076	2	109.1607	3.716	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:2:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	109.1607	3.716	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:3:1:	4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]O[5])	110.3052	0.788	6	110.2040	0.589	7	110.2040	0.589	7	110.2040	0.589	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:3:1:	4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	H(C[5,6]C[5,6]N[5,6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]O[5])	109.5970	0.000	1	110.2040	0.589	7	110.2040	0.589	7	110.2040	0.589	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl){1|H<1>,1|S<4>,3|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	110.7325	0.589	2	110.7325	0.347	2	110.7325	0.347	2	110.6683	0.186	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:4:1:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H)	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6]N[6]O[5])	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.6683	0.186	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:4:2:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	112.0190	1.834	2	112.0190	3.364	2	110.8340	5.895	3	110.8340	5.895	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	108.4640	0.000	1	108.4640	0.000	1	110.8340	5.895	3	110.8340	5.895	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:3:2:1:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	110.1935	2.371	2	110.1935	5.621	2	110.1935	5.621	2	111.7282	3.561	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:3:2:1:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]N[6]O[5])	112.4955	1.306	4	112.4955	1.706	4	112.4955	1.706	4	111.7282	3.561	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:3:2:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	110.6280	6.041	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H){2|Cl<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]S[5])	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	110.6280	6.041	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.3460	0.061	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H)	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]S[5])	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]S[5])	110.2120	0.116	2	110.2120	0.013	2	110.2120	0.013	2	110.3460	0.061	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	111.1932	0.338	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	111.1932	0.338	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.1932	0.338	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.7820	0.000	1	110.7820	0.000	1	111.0525	0.146	2	111.1932	0.338	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.3230	0.000	1	111.3230	0.000	1	111.0525	0.146	2	111.1932	0.338	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:S[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[5]S[6])	112.0213	0.148	3	112.0213	0.022	3	112.0213	0.022	3	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.2710	1.983	2	111.4243	2.036	3	111.4243	2.036	3	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.7310	0.000	1	111.4243	2.036	3	111.4243	2.036	3	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.5870	0.000	1	112.5870	0.000	1	113.4045	1.337	2	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	114.2220	0.000	1	114.2220	0.000	1	113.4045	1.337	2	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7080	0.023	2	109.7080	0.001	2	109.9247	0.108	6	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3125	0.220	2	110.3125	0.048	2	109.9247	0.108	6	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7535	0.192	2	109.7535	0.037	2	109.9247	0.108	6	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1450	0.256	2	109.1450	0.066	2	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0755	0.069	2	110.7875	0.721	4	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4995	1.351	2	110.7875	0.721	4	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7437	0.408	3	109.7437	0.166	3	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2048	0.449	8	110.2048	0.202	8	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4190	0.134	2	109.4190	0.018	2	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5205	0.397	2	110.5205	0.157	2	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3860	0.190	2	110.8660	0.709	3	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.8260	0.000	1	110.8660	0.709	3	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2980	0.000	1	109.2980	0.000	1	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0090	0.000	1	110.0090	0.000	1	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.4800	0.000	1	108.4800	0.000	1	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.2930	0.000	1	111.2930	0.000	1	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.2015	2.504	2	111.3493	3.200	3	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.6450	0.000	1	111.3493	3.200	3	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5740	0.000	1	109.0880	0.472	2	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6020	0.000	1	109.0880	0.472	2	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5580	0.055	2	109.5580	0.003	2	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9630	0.939	2	109.9630	0.882	2	110.1387	0.904	37	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H)	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[5,6]N[5,6]S[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H){1|B<3>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]N[5,6]S[5])	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H){1|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]N[5]O[6])	110.9740	0.146	2	110.9740	0.021	2	110.9740	0.021	2	110.4246	1.348	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO){1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.5390	0.000	1	107.5390	0.000	1	107.5390	0.000	1	108.8552	1.727	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|F<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6270	0.448	2	109.2940	1.435	3	109.2940	1.435	3	108.8552	1.727	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|F<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.6280	0.000	1	109.2940	1.435	3	109.2940	1.435	3	108.8552	1.727	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,2|O<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.6110	0.733	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	H(C[5,6]C[6,6a]C[5,6]O[5,6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5,6])	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	109.6110	0.733	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.6110	0.733	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	109.6110	0.733	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.6110	0.733	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H){2|C<4>,2|O<1>,3|H<1>,3|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.3860	0.182	2	109.3860	0.033	2	109.3860	0.033	2	110.8606	21.859	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	110.8606	21.859	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	117.0880	8.576	2	117.0880	73.544	2	117.0880	73.544	2	110.8606	21.859	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	110.8606	21.859	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	H(C[5,6]C[5,6]N[6]O[5])	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	110.8606	21.859	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[6]O[5])	109.4350	0.511	2	109.4350	0.261	2	109.4350	0.261	2	110.8606	21.859	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H){3|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	109.7698	0.334	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.0930	0.293	2	110.0930	0.086	2	110.0930	0.086	2	109.7698	0.334	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	109.7698	0.334	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5420	0.001	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.5630	0.000	2	109.5630	0.000	2	109.5630	0.000	2	109.5420	0.001	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	109.5030	1.300	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8450	0.047	2	108.8450	0.002	2	108.8450	0.002	2	109.5030	1.300	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:2:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.9938	0.438	4	108.9938	0.192	4	108.9938	0.192	4	108.9938	0.192	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	109.3063	0.022	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:3:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]N[5]N[6])	109.3725	0.129	2	109.3725	0.017	2	109.3725	0.017	2	109.3063	0.022	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:3:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H){2|N<2>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.8710	0.000	1	109.8710	0.000	1	109.8710	0.000	1	109.8710	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	108.9865	3.218	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	108.9865	3.218	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]2N[5])	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	109.6310	2.136	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	109.6310	2.136	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:3:	4:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O)	H(C[5,6]C[5,6]N[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	H(C[5,6]C[5,6]N[5,6]N[5])	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	109.6310	2.136	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO){1|S<4>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.5415	1.570	2	110.5415	2.466	2	110.5415	2.466	2	109.6310	2.136	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:S[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H){2|C<3>,2|F<1>,2|O<1>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	105.7210	0.000	1	105.7210	0.000	1	105.7210	0.000	1	108.5485	2.685	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	108.5485	2.685	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.3590	0.000	1	108.3590	0.000	1	109.4303	0.610	4	108.5485	2.685	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|S<4>,5|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.0160	0.000	1	110.0160	0.000	1	109.4303	0.610	4	108.5485	2.685	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH){1|S<4>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.3410	0.000	1	109.3410	0.000	1	109.4303	0.610	4	108.5485	2.685	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.0050	0.000	1	110.0050	0.000	1	109.4303	0.610	4	108.5485	2.685	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:2:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[5,6]C[5,6]N[5]N[6])	108.9137	0.505	4	108.9137	0.255	4	108.9137	0.255	4	108.9137	0.255	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]2)	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.6135	0.056	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H){2|Cl<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	109.6135	0.056	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	113.8267	0.054	3	113.8267	0.003	3	113.8267	0.003	3	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]2)	107.5580	0.047	2	107.5580	0.002	2	107.5580	0.002	2	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.9065	0.524	2	109.0483	0.229	6	109.0483	0.229	6	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.2515	0.260	2	109.0483	0.229	6	109.0483	0.229	6	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.9870	0.819	2	109.0483	0.229	6	109.0483	0.229	6	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]N[6])	109.6360	0.000	1	109.6360	0.000	1	109.8090	0.060	2	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]N[6])	109.9820	0.000	1	109.9820	0.000	1	109.8090	0.060	2	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	110.5000	0.000	1	110.5000	0.000	1	110.3435	0.049	2	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.1870	0.000	1	110.1870	0.000	1	110.3435	0.049	2	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]N[5]N[6])	107.9605	0.756	2	108.1155	0.233	4	111.1204	0.846	93	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	108.2705	0.177	2	108.1155	0.233	4	111.1204	0.846	93	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.7590	0.302	12	110.7590	0.091	12	111.1204	0.846	93	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.8060	0.161	4	110.8060	0.026	4	111.1204	0.846	93	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.2318	0.272	4	111.2318	0.074	4	111.1204	0.846	93	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.3692	0.701	69	111.3692	0.491	69	111.1204	0.846	93	110.9530	1.459	110	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0680	0.000	1	108.2627	0.035	3	108.2627	0.035	3	108.4834	0.306	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3600	0.112	2	108.2627	0.035	3	108.2627	0.035	3	108.4834	0.306	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	108.4834	0.306	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	108.4834	0.306	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H){4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	109.5223	0.308	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.2295	0.319	2	109.2295	0.102	2	109.2295	0.102	2	109.5223	0.308	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.7940	0.000	1	112.7940	0.000	1	112.7940	0.000	1	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.1690	0.127	2	112.8281	0.065	8	112.8281	0.065	8	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.8860	0.000	1	112.8281	0.065	8	112.8281	0.065	8	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5810	0.086	2	112.8281	0.065	8	112.8281	0.065	8	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.7463	0.162	3	112.8281	0.065	8	112.8281	0.065	8	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.7420	0.000	1	115.7420	0.000	1	115.8785	0.037	2	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	116.0150	0.000	1	116.0150	0.000	1	115.8785	0.037	2	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	113.5380	0.000	1	113.5380	0.000	1	113.5380	0.000	1	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|C<4>,1|N<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.5800	0.000	1	112.5800	0.000	1	112.5800	0.000	1	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5,6]N[5,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]C[6])	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2{1|C<4>,5|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:S[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2	H(C[5,6]C[5,6]N[6]S[5])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[6]S[5])	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	112.8021	2.058	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]N[5,6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]N[5,6])	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.3510	0.000	1	111.3510	0.000	1	110.6860	0.884	2	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.0210	0.000	1	110.0210	0.000	1	110.6860	0.884	2	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[4,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9350	0.000	1	109.8630	0.010	2	109.8630	0.010	2	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7910	0.000	1	109.8630	0.010	2	109.8630	0.010	2	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:1:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	110.0353	0.679	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO){1|C<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:4:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.8040	0.000	1	109.8040	0.000	1	109.6780	0.032	2	109.6780	0.032	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:2:4:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.5520	0.000	1	109.5520	0.000	1	109.6780	0.032	2	109.6780	0.032	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H){1|P<4>,3|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	113.1020	0.000	1	113.1020	0.000	1	113.1020	0.000	1	108.8454	4.494	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2N[5])	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	108.8454	4.494	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H)	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	108.8454	4.494	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.5110	0.040	2	113.5110	0.002	2	113.5110	0.002	2	108.8454	4.494	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.1160	0.000	1	109.1160	0.000	1	109.1160	0.000	1	108.8454	4.494	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.6008	0.371	13	107.6008	0.138	13	107.7594	0.479	14	108.8454	4.494	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.8210	0.000	1	109.8210	0.000	1	107.7594	0.479	14	108.8454	4.494	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7495	0.062	2	108.7495	0.004	2	108.7495	0.004	2	109.9806	9.439	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5290	0.000	1	109.5290	0.000	1	108.5380	1.964	2	109.9806	9.439	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5470	0.000	1	107.5470	0.000	1	108.5380	1.964	2	109.9806	9.439	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	115.3280	0.000	1	115.3280	0.000	1	115.3280	0.000	1	109.9806	9.439	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<1>,7|C<3>}	H(C[5,6]C[5,6]2C[6])	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8170	0.000	1	106.8170	0.000	1	106.8170	0.000	1	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4820	0.000	1	108.4820	0.000	1	110.1377	2.065	3	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9655	0.138	2	110.9655	0.019	2	110.1377	2.065	3	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.1610	0.000	1	110.8815	5.920	2	110.8815	5.920	2	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	112.6020	0.000	1	110.8815	5.920	2	110.8815	5.920	2	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H){3|O<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H)	H(C[5,6]C[5,6]N[5,6]C[6a])	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6a])	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]N[6])	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.1192	3.071	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H){6|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH){1|H<1>,1|N<2>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(CH3)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	108.2867	3.164	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	108.2867	3.164	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	108.2867	3.164	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	108.2867	3.164	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CCHH){2|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3660	0.252	2	108.3660	0.063	2	108.3660	0.063	2	108.2867	3.164	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	109.4145	2.076	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H){7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	109.4145	2.076	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:3:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.5620	0.000	2	110.5620	0.000	2	110.5620	0.000	2	109.4145	2.076	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6527	0.428	3	107.6527	0.183	3	107.6527	0.183	3	107.6527	0.183	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H){2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	108.2720	0.922	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:3:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.2720	0.922	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	109.9950	0.027	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:3:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	109.9950	0.027	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	104.2740	0.000	1	104.2740	0.000	1	104.2740	0.000	1	107.2720	17.976	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:3:2:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	107.2720	17.976	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9690	0.000	1	105.9690	0.000	1	105.9690	0.000	1	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0960	0.392	2	107.0960	0.153	2	107.0960	0.153	2	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1895	0.050	2	107.1895	0.003	2	107.1895	0.003	2	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4770	0.000	1	110.4770	0.000	1	110.2861	0.875	8	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4963	0.295	3	110.4963	0.087	3	110.2861	0.875	8	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0807	1.368	4	110.0807	1.871	4	110.2861	0.875	8	108.8735	3.300	15	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,7|C<3>}	H(C[5,6]C[5,6]2C[5])	106.7880	0.392	2	106.7880	0.153	2	106.7880	0.153	2	108.3982	1.821	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.8700	0.000	1	108.8700	0.000	1	108.7035	0.055	2	108.3982	1.821	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.5370	0.000	1	108.5370	0.000	1	108.7035	0.055	2	108.3982	1.821	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO){1|S<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9490	0.000	1	109.9490	0.000	1	109.7030	0.121	2	108.3982	1.821	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO){1|S<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.4570	0.000	1	109.4570	0.000	1	109.7030	0.121	2	108.3982	1.821	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H){1|Si<5>,2|C<4>,2|N<2>,8|H<1>}	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2{1|C<3>,1|N<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	106.4780	0.000	1	106.4780	0.000	1	106.4780	0.000	1	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.7500	0.000	1	102.7500	0.000	1	102.7500	0.000	1	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2{2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2420	0.000	1	108.2420	0.000	1	109.2260	1.657	3	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7530	0.000	1	108.7530	0.000	1	109.2260	1.657	3	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.6830	0.000	1	110.6830	0.000	1	109.2260	1.657	3	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){1|Cl<1>,1|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.1610	0.000	1	108.0220	0.039	2	108.0220	0.039	2	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	107.8830	0.000	1	108.0220	0.039	2	108.0220	0.039	2	107.6724	5.529	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	109.7900	0.000	1	109.7900	0.000	1	112.5140	3.327	4	112.5140	3.327	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	113.5420	0.007	2	113.4220	0.043	3	112.5140	3.327	4	112.5140	3.327	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Se<2>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	113.1820	0.000	1	113.4220	0.043	3	112.5140	3.327	4	112.5140	3.327	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:3:2:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:Se-2:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a]){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:3:4:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2421	0.703	7	108.2421	0.494	7	108.2561	0.425	8	108.2359	0.425	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3540	0.000	1	108.3540	0.000	1	108.2561	0.425	8	108.2359	0.425	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.2359	0.425	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	108.2359	0.425	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.5280	0.000	1	108.5280	0.000	1	108.2010	0.214	2	107.8773	0.351	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.8740	0.000	1	107.8740	0.000	1	108.2010	0.214	2	107.8773	0.351	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5535	0.648	2	107.5535	0.420	2	107.5535	0.420	2	107.8773	0.351	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	108.9550	0.418	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.5925	0.217	2	108.5925	0.047	2	108.5925	0.047	2	108.9550	0.418	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:2:2:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	105.4345	4.977	2	105.4345	24.774	2	105.4345	24.774	2	105.4345	24.774	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:2:3:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:2:4:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H){4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:3:2:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	107.4460	0.472	2	107.4460	0.223	2	107.4460	0.223	2	107.4460	0.223	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H){5|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.4480	0.116	2	108.4480	0.013	2	108.4480	0.013	2	108.4480	0.013	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0694	0.574	7	108.0694	0.330	7	108.0694	0.330	7	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	108.3230	0.000	1	108.3230	0.000	1	108.3337	5.133	4	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	111.4600	0.000	1	111.4600	0.000	1	108.3337	5.133	4	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	106.7760	0.880	2	106.7760	0.774	2	108.3337	5.133	4	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.5056	0.907	15	109.5056	0.824	15	109.5056	0.824	15	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<6>,3|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<6>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.1165	0.704	2	109.1165	0.495	2	108.4570	0.761	4	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H){1|O<2>,1|S<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H){1|O<2>,1|S<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.7975	0.221	2	107.7975	0.049	2	108.4570	0.761	4	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7745	0.490	2	107.7745	0.240	2	108.0775	0.575	4	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3805	1.057	2	108.3805	1.118	2	108.0775	0.575	4	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.1180	0.000	1	107.1180	0.000	1	107.1180	0.000	1	108.7551	1.452	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:2:	4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[6,6]C[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]N[6,6]C[5])	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7510	0.000	1	108.7510	0.000	1	108.7807	0.037	3	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.6050	0.000	1	108.7955	0.073	2	108.7807	0.037	3	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.9860	0.000	1	108.7955	0.073	2	108.7807	0.037	3	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2{7|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.1960	0.000	1	112.1960	0.000	1	112.7210	0.221	3	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2{6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.8650	0.000	1	112.8650	0.000	1	112.7210	0.221	3	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2{4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	113.1020	0.000	1	113.1020	0.000	1	112.7210	0.221	3	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5585	0.224	2	112.5585	0.050	2	112.5585	0.050	2	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0510	0.000	1	112.0510	0.000	1	113.8095	6.185	2	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.5680	0.000	1	115.5680	0.000	1	113.8095	6.185	2	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	111.6818	3.851	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	109.6314	1.488	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	109.6314	1.488	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	109.6314	1.488	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.4220	0.000	1	110.4220	0.000	1	109.3455	2.318	2	109.6314	1.488	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.2690	0.000	1	108.2690	0.000	1	109.3455	2.318	2	109.6314	1.488	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0580	0.091	2	109.0580	0.008	2	109.0580	0.008	2	109.6314	1.488	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	109.6314	1.488	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:2:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	110.5630	10.415	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:2:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	110.5630	10.415	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:2:4:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.5090	0.129	2	107.5090	0.017	2	107.5090	0.017	2	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H){2|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	111.2910	0.331	2	111.2910	0.110	2	109.3490	5.074	4	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[5])	107.4070	0.163	2	107.4070	0.026	2	109.3490	5.074	4	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.8220	0.126	2	107.8220	0.016	2	107.8220	0.016	2	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3225	0.346	4	108.3225	0.120	4	108.3225	0.120	4	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2970	0.000	1	110.2970	0.000	1	109.2000	2.407	2	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1030	0.000	1	108.1030	0.000	1	109.2000	2.407	2	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7777	0.362	3	108.7777	0.131	3	108.7777	0.131	3	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4280	0.000	1	108.4280	0.000	1	108.7797	2.687	6	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9653	0.781	3	107.9653	0.611	3	108.7797	2.687	6	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.1770	2.489	2	110.1770	6.195	2	108.7797	2.687	6	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9110	0.000	2	108.9110	0.000	2	108.9110	0.000	2	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	111.2960	0.000	1	111.2960	0.000	1	110.4480	1.438	2	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.6000	0.000	1	109.6000	0.000	1	110.4480	1.438	2	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	108.7622	1.729	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.8710	0.000	1	110.8710	0.000	1	110.0865	1.231	2	109.3867	2.085	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.3020	0.000	1	109.3020	0.000	1	110.0865	1.231	2	109.3867	2.085	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	109.3867	2.085	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.1435	0.054	2	107.1435	0.003	2	107.1435	0.003	2	107.4340	0.094	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	107.4340	0.094	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	107.5090	0.074	2	107.5090	0.005	2	107.5090	0.005	2	107.4340	0.094	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	104.7670	0.000	1	104.7670	0.000	1	104.7670	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H){1|C<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7500	0.000	1	107.7500	0.000	1	107.6390	0.025	2	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5280	0.000	1	107.5280	0.000	1	107.6390	0.025	2	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2100	0.000	1	107.2100	0.000	1	107.0278	0.419	5	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3800	0.305	2	106.3800	0.093	2	107.0278	0.419	5	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5845	0.301	2	107.5845	0.090	2	107.0278	0.419	5	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H){1|O<1>,1|S<4>,5|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9880	0.000	1	106.9880	0.000	1	108.1053	1.635	6	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2470	0.000	1	109.2470	0.000	1	108.1053	1.635	6	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6160	0.000	1	109.6160	0.000	1	108.1053	1.635	6	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8990	0.000	1	108.8990	0.000	1	108.1053	1.635	6	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9410	0.000	2	106.9410	0.000	2	108.1053	1.635	6	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	108.6560	1.476	3	108.6560	2.180	3	108.6560	2.180	3	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.6732	0.322	6	109.1316	0.313	13	109.1316	0.313	13	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.2570	0.000	1	109.1316	0.313	13	109.1316	0.313	13	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.3275	0.452	2	109.1316	0.313	13	109.1316	0.313	13	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<5>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.3600	0.000	2	109.1316	0.313	13	109.1316	0.313	13	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.0200	0.000	2	109.1316	0.313	13	109.1316	0.313	13	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3365	0.375	2	108.3365	0.141	2	108.3365	0.141	2	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0560	0.000	1	109.0560	0.000	1	109.0510	0.000	2	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0460	0.000	1	109.0460	0.000	1	109.0510	0.000	2	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.6390	0.031	2	109.6390	0.001	2	109.2927	0.360	3	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	108.6000	0.000	1	108.6000	0.000	1	109.2927	0.360	3	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.2025	0.766	2	109.2025	0.586	2	109.6426	0.243	10	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.7526	0.399	8	109.7526	0.159	8	109.6426	0.243	10	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H)	H(C[5,6]N[5,5,6]C[6,6a]C[5,6])	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]N[5,5,6]C[6,6a]C[5,6])	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	108.4949	1.624	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	H(C[5,6]C[6,6a]C[3x5]C[5,6])	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[6,6a]C[3x5]C[5,6])	108.7710	1.110	2	108.7710	1.232	2	108.7710	1.232	2	109.7353	3.406	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	109.7353	3.406	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	106.3370	0.000	1	106.3370	0.000	1	107.4417	0.669	4	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3170	0.000	1	107.3170	0.000	1	107.4417	0.669	4	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO){1|Fe<10>,1|S<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.9710	0.000	1	107.9710	0.000	1	107.4417	0.669	4	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.1420	0.000	1	108.1420	0.000	1	107.4417	0.669	4	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3290	1.136	2	107.6907	1.037	3	107.6907	1.037	3	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.4140	0.000	1	107.6907	1.037	3	107.6907	1.037	3	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:N-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO){1|C<4>,6|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	106.7050	0.000	1	106.7050	0.000	1	106.7050	0.000	1	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6]N[5,6]C[6])	107.9097	0.494	3	107.9097	0.244	3	107.9097	0.244	3	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	107.7130	0.811	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|C<2>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	110.4070	0.143	2	110.4070	0.020	2	109.9870	0.539	3	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	109.1470	0.000	1	109.1470	0.000	1	109.9870	0.539	3	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.0800	0.000	1	105.0800	0.000	1	106.5525	4.337	2	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0250	0.000	1	108.0250	0.000	1	106.5525	4.337	2	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.7980	0.000	1	102.7980	0.021	4	102.7980	0.021	4	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.7980	0.176	3	102.7980	0.021	4	102.7980	0.021	4	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8290	0.059	2	107.8290	0.004	2	107.8290	0.004	2	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.7307	0.143	3	111.7307	0.020	3	111.5986	0.043	5	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H){1|Rh<4>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,1|P<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.4005	0.025	2	111.4005	0.001	2	111.5986	0.043	5	107.9560	12.196	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2{1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.7965	0.009	2	111.7965	0.000	2	111.7965	0.000	2	112.2585	4.118	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6]2H)	113.4325	4.048	2	113.4325	16.388	2	113.4325	16.388	2	112.2585	4.118	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[5,6]C[5,6]2H)	111.5465	0.053	2	111.5465	0.003	2	111.5465	0.003	2	112.2585	4.118	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[3x5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.6215	0.011	2	111.6215	0.000	2	111.6215	0.000	2	111.2118	15.430	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.4695	0.039	2	111.4695	0.002	2	111.4695	0.002	2	111.2118	15.430	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6460	15.650	2	111.6460	244.913	2	111.6460	244.913	2	111.2118	15.430	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|S<4>,4|H<1>}	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1765	0.006	2	111.1765	0.000	2	111.0115	0.068	11	111.2118	15.430	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4580	0.034	2	111.4580	0.001	2	111.0115	0.068	11	111.2118	15.430	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8217	0.044	4	110.8217	0.002	4	111.0115	0.068	11	111.2118	15.430	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>}	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8570	0.033	3	110.8570	0.001	3	111.0115	0.068	11	111.2118	15.430	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	112.0135	0.019	2	112.0135	0.000	2	112.0135	0.000	2	111.8147	0.301	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9292	0.064	4	111.9292	0.004	4	111.9292	0.004	4	111.8147	0.301	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2{2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.0610	0.027	2	112.0610	0.001	2	112.0610	0.001	2	111.8147	0.301	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	111.7895	0.046	2	111.7895	0.002	2	111.7895	0.002	2	111.8147	0.301	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	110.9065	1.196	2	110.9065	1.430	2	110.9065	1.430	2	111.8147	0.301	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]2H)	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	111.8147	0.301	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6377	0.159	3	111.6377	0.025	3	111.6377	0.025	3	111.6377	0.025	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.6835	0.019	2	111.6835	0.000	2	111.7440	0.003	5	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	111.7843	0.009	3	111.7843	0.000	3	111.7440	0.003	5	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.7670	0.051	2	111.7670	0.003	2	112.3558	0.466	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.9445	0.094	2	112.9445	0.009	2	112.3558	0.466	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.7845	0.053	2	111.7845	0.003	2	111.7818	0.001	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.7790	0.020	2	111.7790	0.000	2	111.7818	0.001	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]2H)	111.6365	0.022	2	111.6365	0.000	2	112.9375	2.679	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]2H)	114.2385	1.125	2	114.2385	1.266	2	112.9375	2.679	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.9610	0.013	2	111.9610	0.000	2	112.7087	1.970	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	113.4565	1.917	2	113.4565	3.675	2	112.7087	1.970	4	112.2788	1.014	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	111.7760	0.016	2	111.7760	0.000	2	111.7760	0.000	2	111.7760	0.000	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.4995	0.060	2	111.4995	0.004	2	111.4995	0.004	2	111.5985	0.077	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	112.0300	0.027	2	112.0300	0.001	2	112.0300	0.001	2	111.5985	0.077	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.3470	0.028	2	111.3470	0.001	2	111.4322	0.010	4	111.5985	0.077	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.5175	0.018	2	111.5175	0.000	2	111.4322	0.010	4	111.5985	0.077	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6660	0.028	2	111.6660	0.001	2	111.6660	0.001	2	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){2|H<1>,5|C<3>}	H(C[5,6]C[5,6]2H)	113.2720	1.752	2	113.2720	3.070	2	111.9299	0.683	15	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]2H)	112.0235	1.327	2	112.0235	1.762	2	111.9299	0.683	15	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.3220	0.033	2	111.3220	0.001	2	111.9299	0.683	15	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H){1|Br<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.6695	0.046	2	111.6695	0.002	2	111.9299	0.683	15	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.7306	0.087	5	111.7677	0.009	7	111.9299	0.683	15	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.8605	0.005	2	111.7677	0.009	7	111.9299	0.683	15	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]2H)	111.7950	0.051	2	111.7950	0.003	2	111.8200	0.002	4	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]2H)	111.8450	0.006	2	111.8450	0.000	2	111.8200	0.002	4	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2{1|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	H(C[5,6]C[5,6]2H)	111.9955	0.066	2	111.9955	0.004	2	112.0550	0.010	10	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]2H)	112.0497	0.113	6	112.0497	0.013	6	112.0550	0.010	10	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2{1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]2H)	112.1305	0.049	2	112.1305	0.002	2	112.0550	0.010	10	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	112.1460	0.013	2	112.1460	0.000	2	112.1460	0.000	2	111.9516	0.315	33	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	109.2610	1.732	2	109.2610	3.001	2	109.2610	3.001	2	110.6368	10.200	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	112.0125	4.475	2	112.0125	20.028	2	112.0125	20.028	2	110.6368	10.200	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.0125	0.033	2	113.0125	0.001	2	113.0125	0.001	2	113.0125	0.001	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.3615	0.042	2	111.3615	0.002	2	111.6213	0.132	4	111.6213	0.132	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.8810	0.352	2	111.8810	0.124	2	111.6213	0.132	4	111.6213	0.132	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.8385	0.012	2	111.8385	0.000	2	111.8385	0.000	2	111.9647	0.048	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2{4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	111.9647	0.048	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:2:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.9990	0.100	4	111.9990	0.010	4	111.9990	0.010	4	111.9990	0.010	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]2H)	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.7835	0.036	2	111.7835	0.001	2	111.7835	0.001	2	111.8816	2.582	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	112.0750	0.000	1	112.0750	0.000	1	112.0750	0.000	1	111.8816	2.582	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.1075	0.013	2	112.1075	0.000	2	112.1075	0.000	2	111.8816	2.582	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	112.1520	0.000	1	112.1520	0.000	1	111.7320	8.924	3	111.8816	2.582	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]2H)	111.5220	4.193	2	111.5220	17.582	2	111.7320	8.924	3	111.8816	2.582	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2{6|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	H(C[5,6]C[5,6]2H)	112.1450	0.000	1	112.1450	0.000	1	112.0983	0.005	3	112.0983	0.005	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2{1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	H(C[5,6]C[5,6]2H)	112.0750	0.078	2	112.0750	0.006	2	112.0983	0.005	3	112.0983	0.005	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2{2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	112.0885	0.005	2	112.0885	0.000	2	112.0885	0.000	2	112.0885	0.000	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9240	0.013	2	111.9240	0.000	2	111.9240	0.000	2	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5,6]N[5,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.3125	0.005	2	112.3125	0.000	2	112.3125	0.000	2	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6280	0.013	3	111.4449	0.026	15	111.4449	0.026	15	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.2722	0.061	6	111.4449	0.026	15	111.4449	0.026	15	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5715	0.019	4	111.4449	0.026	15	111.4449	0.026	15	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4350	0.035	2	111.4449	0.026	15	111.4449	0.026	15	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:S[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.7475	0.009	2	110.7475	0.000	2	110.7475	0.000	2	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.0745	2.350	2	112.0745	5.521	2	111.3798	9.517	4	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.6850	4.593	2	110.6850	21.099	2	111.3798	9.517	4	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.3200	0.008	2	112.3200	0.000	2	112.3200	0.000	2	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.6310	0.006	2	111.6310	0.000	2	111.6310	0.000	2	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.7990	0.000	1	111.7990	0.000	1	111.7990	0.000	1	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2{1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	H(C[5,6]C[5,6]2H)	111.9950	0.008	2	111.9950	0.000	2	111.9950	0.000	2	111.5891	1.082	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6750	0.013	2	111.6750	0.000	2	111.6750	0.000	2	111.7725	0.013	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a])	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2{7|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a]){3|H<1>,6|C<3>}	H(C[5,6]C[5,6]2H)	111.8700	0.023	2	111.8700	0.001	2	111.8700	0.001	2	111.7725	0.013	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.2940	0.023	2	111.2940	0.001	2	111.2940	0.001	2	111.2940	0.001	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.8570	1.840	2	111.8570	3.385	2	111.8787	1.129	4	111.8540	0.850	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3){3|C<4>}	H(C[5,6]C[5,6]2H)	111.9005	0.028	2	111.9005	0.001	2	111.8787	1.129	4	111.8540	0.850	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	H(C[5,6]C[5,6]2H)	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.8540	0.850	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9960	0.024	2	110.9960	0.001	2	111.0482	0.036	5	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7820	0.000	1	111.0830	0.068	3	111.0482	0.036	5	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2335	0.016	2	111.0830	0.068	3	111.0482	0.036	5	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4105	0.016	2	111.4105	0.000	2	111.4105	0.000	2	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5303	0.027	3	111.5303	0.001	3	111.5303	0.001	3	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6585	0.008	2	111.6585	0.000	2	111.6585	0.000	2	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2{7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	H(C[5,6]C[5,6]2H)	111.8735	0.011	2	111.8735	0.000	2	112.0692	0.033	5	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2{6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	H(C[5,6]C[5,6]2H)	112.1400	0.000	1	112.1400	0.000	1	112.0692	0.033	5	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2{4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	112.2295	0.011	2	112.2295	0.000	2	112.0692	0.033	5	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.4520	0.000	1	111.4520	0.000	1	111.7463	3.654	3	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.8935	2.679	2	111.8935	7.178	2	111.7463	3.654	3	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5,6]C[5,6]2H)	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	111.6132	0.544	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]2H)	111.6835	0.040	2	111.6835	0.002	2	111.6835	0.002	2	111.6835	0.002	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.2810	0.030	2	111.2810	0.001	2	111.2810	0.001	2	111.2810	0.001	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	B[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]HH)(H)2	H(C[5,6]B[5,5,6]C[5,6]H)	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]B[5,5,6]C[5,6]H)	110.3816	0.137	5	110.3816	0.019	5	110.3816	0.019	5	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H)	H(C[5,6]C[3x5,6]C[5,6]Br)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H){2|C<4>,2|H<1>}	H(C[5,6]C[3x5,6]C[5,6]Br)	111.0415	0.213	2	111.0415	0.045	2	111.0415	0.045	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	113.2405	1.503	2	112.2200	7.661	4	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.1995	4.069	2	112.2200	7.661	4	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	114.1585	1.305	2	112.4818	4.318	4	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	110.8050	0.069	2	112.4818	4.318	4	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.2378	0.211	8	111.2378	0.044	8	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.4415	0.022	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.1000	0.061	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	114.9910	0.974	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.2035	0.671	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|Cl<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3255	0.022	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3506	0.231	136	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3697	0.043	4	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.0545	0.013	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	112.6635	0.732	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	110.9175	0.060	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.3855	0.037	2	111.4008	0.251	158	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	112.4268	1.346	12	112.4268	1.810	12	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.7290	0.067	7	111.7290	0.005	7	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.5965	0.008	2	111.4348	0.141	9	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.6328	0.068	5	111.4348	0.141	9	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	110.7780	0.025	2	111.4348	0.141	9	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.7870	0.008	2	111.7870	0.000	2	111.5085	0.570	204	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	H(C[5,6]C[4x5,6,6]C[5,6]H)	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{4|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[4x5,6,6]C[5,6]H)	112.4580	2.741	2	111.2905	4.452	4	111.2905	4.452	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	H(C[5,6]C[4x5,6,6]C[5,6]H)	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{4|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[4x5,6,6]C[5,6]H)	110.1230	0.626	2	111.2905	4.452	4	111.2905	4.452	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.4810	3.352	2	111.4117	6.009	4	111.4117	6.009	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.3425	2.603	2	111.4117	6.009	4	111.4117	6.009	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2{2|Cl<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.1795	0.019	2	111.1795	0.000	2	111.3370	0.075	3	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2{2|Cl<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.6520	0.000	1	111.6520	0.000	1	111.3370	0.075	3	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	112.7920	0.047	2	112.7920	0.002	2	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8950	0.049	2	110.8950	0.002	2	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.0430	0.058	2	110.9648	0.010	4	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8865	0.057	2	110.9648	0.010	4	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8715	0.018	2	110.8715	0.000	2	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.8110	0.037	2	110.8110	0.001	2	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.0800	0.000	1	110.9720	0.009	7	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.0595	0.021	2	110.9720	0.009	7	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.9013	0.036	4	110.9720	0.009	7	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.3150	0.025	2	111.3150	0.001	2	111.1444	0.320	21	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	P[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2	C[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.4445	0.040	2	110.4445	0.002	2	110.4445	0.002	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[3x5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	108.4520	0.119	2	108.4520	0.014	2	108.4520	0.014	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	109.4410	0.000	1	108.9493	4.695	3	109.0006	2.408	5	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	108.7035	3.004	2	108.9493	4.695	3	109.0006	2.408	5	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|Br<1>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]Br)	109.4110	0.000	1	109.4110	0.000	1	109.0006	2.408	5	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|Br<1>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	108.7440	0.000	1	108.7440	0.000	1	109.0006	2.408	5	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	110.2690	0.040	2	110.2690	0.002	2	110.2690	0.002	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)2	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(Cl)(H){2|Cl<1>,1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|Cl<1>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	111.8405	4.356	2	111.8405	18.979	2	110.6740	5.443	6	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H){2|Cl<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	110.6720	1.670	2	110.6720	2.790	2	110.6740	5.443	6	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H){2|Cl<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	109.5095	0.103	2	109.5095	0.011	2	110.6740	5.443	6	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H){1|Cl<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	110.8700	1.331	2	110.8700	1.771	2	110.8700	1.771	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9510	0.166	8	110.9510	0.027	8	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.8990	0.102	2	112.4472	2.862	4	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9955	0.383	2	112.4472	2.862	4	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5975	1.190	2	111.8692	0.912	4	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1410	1.013	2	111.8692	0.912	4	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9040	0.098	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.9115	1.090	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1200	0.617	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9315	0.418	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|Cl<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9400	0.000	1	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0210	0.016	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0793	0.214	135	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1325	0.028	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1245	0.206	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0200	0.033	2	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9397	0.053	3	111.0567	0.070	155	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8108	1.079	12	110.8108	1.163	12	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4173	0.075	7	111.4173	0.006	7	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3713	0.047	3	111.1649	0.121	7	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6565	0.008	2	111.1649	0.121	7	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3635	0.005	2	111.1649	0.121	7	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3090	0.000	1	111.3090	0.000	1	111.0999	0.242	198	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.2555	0.739	2	112.2555	0.546	2	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<3>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1585	0.021	2	111.1585	0.000	2	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8820	0.017	2	110.8820	0.000	2	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3430	0.000	1	111.2013	0.016	3	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1305	0.033	2	111.2013	0.016	3	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9390	0.000	1	110.9390	0.000	1	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1015	0.005	2	111.2123	0.015	7	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1310	0.031	2	111.2123	0.015	7	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3403	0.015	3	111.2123	0.015	7	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7210	0.011	2	111.7210	0.000	2	111.3191	0.191	19	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2323	0.043	3	111.2323	0.002	3	111.2323	0.002	3	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(Cl)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(Cl)2{1|Cl<1>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.9112	1.386	4	109.9112	1.922	4	110.0964	1.613	5	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2{2|Cl<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)2{1|Cl<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8370	0.000	1	110.8370	0.000	1	110.0964	1.613	5	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H){1|Cl<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.0415	4.298	4	109.0415	18.476	4	109.0415	18.476	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|B<3>,2|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3480	0.018	2	110.3535	0.000	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,3|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|B<3>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3590	0.014	2	110.3535	0.000	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0346	0.071	8	111.0346	0.005	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1875	0.114	8	111.1875	0.013	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1340	0.045	4	111.1213	0.006	25	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1008	0.060	4	111.1213	0.006	25	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0975	0.140	4	111.1213	0.006	25	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0883	0.097	3	111.1213	0.006	25	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1438	0.060	10	111.1213	0.006	25	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1335	0.006	2	111.1823	0.003	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2310	0.010	2	111.1823	0.003	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0413	0.052	13	111.0482	0.002	23	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0440	0.035	3	111.0482	0.002	23	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0553	0.057	3	111.0482	0.002	23	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0685	0.045	4	111.0482	0.002	23	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0488	0.155	20	111.0488	0.024	20	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8520	0.035	2	110.8520	0.001	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1044	0.083	19	110.6780	1.506	22	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	107.9777	1.757	3	110.6780	1.506	22	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.2725	1.561	2	112.2725	2.435	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1393	0.121	4	111.1313	0.005	11	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1267	0.023	7	111.1313	0.005	11	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1268	0.092	4	111.1268	0.008	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0827	0.019	3	111.2917	0.784	39	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7220	2.473	4	111.2917	0.784	39	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2575	0.583	32	111.2917	0.784	39	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2090	0.020	2	111.2665	0.003	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2952	0.028	4	111.2665	0.003	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.6349	3.153	8	112.6349	9.938	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7913	0.038	6	111.0875	0.365	27	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<2>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8920	0.051	2	111.0875	0.365	27	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.0785	0.757	2	111.0875	0.365	27	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8425	0.036	2	111.0875	0.365	27	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9993	0.103	15	111.0875	0.365	27	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0605	0.011	2	111.0294	0.031	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<4>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2810	0.062	2	111.0294	0.031	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8880	0.024	4	111.0294	0.031	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.2235	2.650	2	111.2606	0.369	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2337	0.071	12	111.2606	0.369	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<2>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2635	0.046	2	111.2606	0.369	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0877	0.039	8	111.2606	0.369	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1475	0.005	2	111.2606	0.369	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2500	0.000	1	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2325	0.012	2	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9827	0.036	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2215	0.048	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3070	0.651	2	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0180	0.000	1	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3558	1.292	74	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1529	0.048	14	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1398	0.086	9	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1404	0.151	5	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0760	0.026	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1750	0.089	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1099	0.041	16	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1026	0.067	5	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0790	0.097	7	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1352	0.029	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9890	0.000	1	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.8570	2.216	2	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<10>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<10>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0297	0.070	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Fe<10>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Fe<10>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0040	0.035	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0940	0.063	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ti<8>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ti<8>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9018	0.069	17	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1462	0.051	5	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2444	0.114	5	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2262	0.543	4	111.2097	0.740	202	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1310	0.074	4	112.0913	11.643	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1475	0.033	6	112.0913	11.643	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2025	0.036	2	112.0913	11.643	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.9717	5.763	6	112.0913	11.643	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1367	0.043	3	111.1367	0.002	3	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0413	0.101	8	111.0413	0.010	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4237	0.084	6	111.4237	0.007	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5370	0.025	3	111.5370	0.001	3	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3615	0.028	4	111.3615	0.001	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5527	0.624	30	111.5422	0.323	36	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5050	0.000	1	111.5422	0.323	36	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4680	0.013	2	111.5422	0.323	36	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4990	0.054	3	111.5422	0.323	36	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|S<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8145	0.015	2	110.8145	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0500	0.040	4	111.2364	5.527	17	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7460	0.024	2	111.2364	5.527	17	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8353	0.038	6	111.2364	5.527	17	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.0630	4.567	5	111.2364	5.527	17	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9455	0.043	2	110.9348	0.001	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9240	0.007	2	110.9348	0.001	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9525	0.113	25	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	114.7895	5.229	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7111	0.394	34	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.3900	1.086	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5590	0.000	1	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7872	0.036	6	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9523	0.469	7	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9040	0.041	6	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8632	0.051	4	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9105	0.095	19	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6963	0.520	27	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0805	0.018	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0015	0.104	4	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2145	0.016	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8080	0.108	6	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8370	0.031	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9427	0.240	13	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8875	0.021	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4946	1.822	24	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9090	0.021	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9040	0.000	1	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9143	0.120	6	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8663	0.060	4	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9827	0.281	169	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7613	0.032	3	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9322	0.140	4	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9041	0.141	8	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9970	0.013	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7852	0.105	4	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8877	0.106	4	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9047	0.099	15	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8124	0.750	8	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0525	0.124	4	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9340	0.000	1	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0087	0.084	6	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1474	2.759	5	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9130	0.087	5	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7255	0.012	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6155	1.541	42	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|S<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1100	0.021	2	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|Sn<4>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	114.9528	5.614	6	110.9975	1.175	491	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0400	0.014	2	111.2015	0.846	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1708	0.742	149	111.2015	0.846	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.7300	5.996	2	111.2015	0.846	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1220	0.018	2	111.2015	0.846	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3210	0.044	2	111.3210	0.002	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0440	0.031	2	111.0697	0.002	3	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1210	0.000	1	111.0697	0.002	3	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4055	0.046	2	111.4055	0.002	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.6785	0.206	2	112.6785	0.042	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2025	0.006	2	111.1360	0.020	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<4>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9130	0.042	2	111.1360	0.020	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2142	0.030	4	111.1360	0.020	8	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1107	0.046	3	111.1107	0.002	3	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|S<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3150	0.038	2	111.3150	0.001	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0040	0.069	3	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1615	0.029	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2125	0.009	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1545	0.022	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1525	0.027	6	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0170	0.008	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7821	0.223	7	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2555	0.009	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3260	0.143	4	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3435	0.009	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1990	0.211	4	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.8875	1.006	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0545	0.056	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1980	0.011	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0416	0.560	26	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2938	0.169	6	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1525	0.277	171	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0908	0.152	5	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.0755	2.874	6	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3057	0.053	3	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2240	0.106	6	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3260	0.124	4	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7225	0.029	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2380	0.000	1	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2142	0.042	4	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3472	0.090	6	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2592	0.100	18	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2175	0.128	27	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3382	0.238	39	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2975	0.650	28	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0240	0.038	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2170	0.062	6	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2130	1.141	14	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2279	0.082	8	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2325	0.135	4	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2319	0.152	15	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6038	1.855	8	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8268	0.134	4	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1686	1.324	42	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|S<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2905	0.037	2	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|Sn<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	107.0040	6.222	6	111.1476	1.015	505	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1045	0.013	2	111.1045	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ag<6>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ag<6>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1300	0.055	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1700	0.028	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1870	0.028	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1440	0.041	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0824	0.071	7	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1377	0.036	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0452	0.093	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0503	0.127	7	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.7488	4.022	6	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1655	0.037	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0633	0.289	6	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0235	0.006	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.4502	1.119	8	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1714	0.049	5	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4506	3.813	5	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5320	0.916	29	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1095	0.022	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.3065	1.265	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9103	0.370	16	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2230	0.027	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9280	0.063	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0585	0.029	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1465	0.128	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1230	1.458	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3730	0.020	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2552	0.107	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8525	0.056	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1268	0.030	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2365	0.016	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1336	0.094	23	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4815	0.033	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2045	0.039	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1870	0.006	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1202	0.031	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1907	0.035	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1175	0.043	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1483	0.088	3	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2325	0.044	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0855	0.032	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0460	0.041	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2075	0.028	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0627	6.004	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1980	0.022	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.2165	0.286	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0595	0.039	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8544	1.448	8	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.7370	0.738	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<6>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1180	0.000	1	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.6190	0.247	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0745	0.040	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0350	0.055	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0940	0.000	1	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1130	0.014	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1163	0.090	8	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0840	0.000	1	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1305	0.021	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1339	0.076	14	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0820	0.000	1	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1165	0.033	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.0790	0.436	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1470	0.000	1	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.2075	0.327	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0079	0.501	12	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1008	0.046	5	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1976	0.097	11	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<6>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<6>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1065	0.051	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ir<5>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ir<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.0434	2.265	10	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4775	2.423	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<5>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1743	0.040	7	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0800	0.013	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2020	0.000	1	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1656	0.109	7	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1022	0.047	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0968	0.102	5	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<5>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9525	0.221	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1010	0.242	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,1|O<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9530	0.000	1	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1947	0.048	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<5>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,1|O<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3620	0.047	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<6>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2690	0.049	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<4>,1|O<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0970	0.028	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<5>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<4>,1|O<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0750	0.014	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0265	0.398	6	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9593	0.387	6	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1750	0.044	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1283	0.061	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2440	0.375	2	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|W<11>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|W<11>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1780	0.043	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1740	0.008	3	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3702	0.622	25	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0422	0.069	5	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9210	0.268	5	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6790	0.736	10	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1214	0.114	5	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1475	0.048	6	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9275	0.155	4	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3863	0.273	3	111.1911	1.093	447	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1903	0.036	4	111.1903	0.001	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Ni)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Ni)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.7765	0.043	2	109.7765	0.002	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0777	0.040	6	111.1407	0.010	9	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2380	0.000	1	111.1407	0.010	9	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2810	0.014	2	111.1407	0.010	9	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2770	0.007	2	111.2770	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1590	0.074	2	111.1590	0.005	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|P<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8795	0.035	2	110.8795	0.001	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9770	0.007	2	110.9770	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.8840	0.272	2	110.6128	0.335	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9772	0.055	4	110.6128	0.335	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0437	0.106	4	111.0437	0.011	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Ni)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Ni)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7140	0.069	2	111.7140	0.005	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2893	0.093	6	111.1395	0.047	10	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0150	0.004	2	111.1395	0.047	10	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8145	0.018	2	111.1395	0.047	10	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9300	0.014	2	110.9300	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5180	0.507	149	111.5643	0.430	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7070	0.069	2	111.5643	0.430	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1970	0.011	2	111.5643	0.430	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	115.2385	0.805	2	111.5643	0.430	155	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1170	0.030	2	111.1170	0.001	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|P<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9180	0.042	2	110.9180	0.002	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0790	0.011	2	111.0790	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8722	0.352	23	110.8722	0.124	23	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0584	0.252	23	111.0584	0.063	23	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9645	0.049	2	110.9098	0.007	5	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8733	0.086	3	110.9098	0.007	5	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.3860	0.211	2	111.4332	0.622	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9567	0.337	4	111.4332	0.622	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9427	0.100	38	110.8798	0.016	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8098	0.102	26	110.8798	0.016	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9030	0.008	2	110.8798	0.016	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9115	0.027	4	110.8798	0.016	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<4>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8877	0.045	3	110.8798	0.016	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4965	0.033	2	110.8798	0.016	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1916	0.061	27	111.1102	0.020	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4200	0.020	2	111.1102	0.020	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2415	0.108	4	111.1102	0.020	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<4>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2188	0.137	4	111.1102	0.020	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3245	0.015	2	111.1102	0.020	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9935	0.086	36	111.1102	0.020	75	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1725	0.093	4	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1827	0.085	4	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8435	0.022	2	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1513	0.034	4	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1445	0.040	4	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1625	0.025	4	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0720	0.021	2	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2510	0.054	2	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9285	0.568	2	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2077	0.170	3	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9952	0.166	4	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<9>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<9>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.1283	2.425	8	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3545	0.018	2	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1560	0.056	4	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0270	0.687	2	111.2835	0.989	51	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4436	0.046	5	111.4436	0.002	5	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8774	0.059	9	110.8886	0.004	11	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9390	0.062	2	110.8886	0.004	11	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0576	0.084	10	111.0715	0.007	12	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1410	0.049	2	111.0715	0.007	12	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2179	0.777	123	111.2133	0.585	127	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0725	0.044	4	111.2133	0.585	127	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4765	0.006	2	111.4765	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4405	0.040	2	111.4405	0.002	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4185	0.175	4	111.4185	0.031	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3570	0.000	1	111.1514	0.019	24	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9693	0.085	4	111.1514	0.019	24	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1882	0.106	5	111.1514	0.019	24	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1541	0.115	12	111.1514	0.019	24	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3050	0.018	2	111.1514	0.019	24	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1140	0.020	6	111.1140	0.000	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2925	0.005	2	111.2925	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1847	0.151	3	111.1847	0.023	3	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4008	0.060	4	111.2778	0.013	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2736	0.119	14	111.2778	0.013	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1960	0.028	2	111.2778	0.013	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2668	0.076	4	111.2778	0.013	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1655	0.029	2	111.2778	0.013	26	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7862	2.378	64	111.5730	3.587	107	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2730	0.013	2	111.5730	3.587	107	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2220	0.677	2	111.5730	3.587	107	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1785	0.029	2	111.5730	3.587	107	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.4615	2.364	2	111.5730	3.587	107	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1660	0.127	17	111.5730	3.587	107	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1056	0.069	18	111.5730	3.587	107	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3405	0.012	4	111.3405	0.000	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9910	0.035	6	110.9910	0.001	6	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9715	0.011	4	110.9715	0.000	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3203	0.062	7	111.3203	0.004	7	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2330	0.069	3	111.3496	0.029	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1735	0.036	6	111.3496	0.029	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4720	0.066	4	111.3496	0.029	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5330	0.063	5	111.3496	0.029	18	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2190	0.047	2	111.2190	0.002	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5231	0.087	15	111.4561	0.008	34	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4002	0.021	4	111.4561	0.008	34	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3919	0.077	8	111.4561	0.008	34	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4190	0.026	4	111.4561	0.008	34	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4167	0.034	3	111.4561	0.008	34	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5795	0.008	2	111.5795	0.000	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6225	0.033	2	111.6225	0.001	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7330	0.030	2	111.7330	0.001	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3975	0.054	4	110.3975	0.003	4	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3951	0.547	16	110.3840	0.220	22	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3543	0.160	6	110.3840	0.220	22	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0930	0.000	1	111.3135	0.097	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5340	0.000	1	111.3135	0.097	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3620	0.041	2	111.3620	0.002	2	111.1786	0.990	3080	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I){2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2180	0.060	3	111.2180	0.004	3	111.2180	0.004	3	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8680	0.131	4	110.8680	0.017	4	110.8680	0.017	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.3875	2.454	2	112.3875	6.024	2	112.3875	6.024	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|B<4>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1180	0.021	2	111.1180	0.000	2	111.1180	0.000	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	P[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2	C[5,6](P[5,5,6]C[5,5,6]N[5,5]W)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|W<6>,4|C<3>}	C[5,6](P[5,5,6]C[5,5,6]N[5,5]W)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.9575	0.126	4	109.9575	0.016	4	109.9575	0.016	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]I)	110.1520	0.317	2	110.1520	0.100	2	110.1520	0.100	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:O-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.6415	0.166	2	109.6415	0.028	2	109.6415	0.028	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2	H(C[5,6]N[5,5,6,6]C[5,6]H)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]N[5,5,6,6]C[5,6]H)	115.7720	1.977	2	115.7720	3.909	2	115.7720	3.909	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|B<4>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	P[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2	H(C[5,6]P[3x5,6]C[5,6]H)	C[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,6]P[3x5,6]C[5,6]H)	111.0615	0.030	2	111.0615	0.001	2	111.0615	0.001	2	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	P[5,5,6]-4:C[5,6]-4:H-1:H-1:	B[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]HH)(H)2	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2	H(C[5,6]P[5,5,6]C[5,6]H)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]P[5,5,6]C[5,6]H)	111.0818	0.121	6	111.0818	0.015	6	111.0818	0.015	6	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	P[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5,6]N[5,5]W)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2	H(C[5,6]P[5,5,6]C[5,6]H)	C[5,6](P[5,5,6]C[5,5,6]N[5,5]W)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|W<6>,4|C<3>}	H(C[5,6]P[5,5,6]C[5,6]H)	110.9333	0.254	4	110.9333	0.064	4	110.9333	0.064	4	111.1799	0.984	3607	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	112.4150	0.880	2	112.4150	0.774	2	112.1238	0.371	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.8325	0.026	2	111.8325	0.001	2	112.1238	0.371	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H)	H(C[5,6]C[4,5,6]C[5,6]Br)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	H(C[5,6]C[4,5,6]C[5,6]Br)	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H)	H(C[5,6]C[4,5,6]C[5,6]Cl)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	H(C[5,6]C[4,5,6]C[5,6]Cl)	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H)	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,3x6]C[5,6]Br)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[5,6]Br)	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[4,4x5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.3345	0.006	2	110.3345	0.000	2	110.3345	0.000	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H){4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.1260	0.043	4	111.1260	0.002	4	111.1260	0.002	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<2>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	109.9450	0.000	1	110.0703	0.036	3	110.2542	0.160	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Br)	110.1330	0.222	2	110.0703	0.036	3	110.2542	0.160	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,5,6]C[5,6]Br)	110.8060	0.000	1	110.8060	0.000	1	110.2542	0.160	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H){2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5653	0.020	4	110.5653	0.000	4	110.5653	0.000	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H){1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3195	0.030	2	111.3195	0.001	2	111.3195	0.001	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.1275	1.681	2	109.1275	2.825	2	109.1275	2.825	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2285	0.025	4	111.2285	0.001	4	111.2285	0.001	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0910	0.017	2	111.0910	0.000	2	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0080	0.042	4	111.0080	0.002	4	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4670	0.049	2	111.4670	0.002	2	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9713	0.468	18	110.9713	0.219	18	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1042	0.140	12	111.1042	0.020	12	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0767	0.048	6	111.4611	1.133	15	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7173	1.340	9	111.4611	1.133	15	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8860	0.035	2	111.0940	0.477	8	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3490	0.034	2	111.0940	0.477	8	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0705	0.039	2	111.0940	0.477	8	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0705	1.766	2	111.0940	0.477	8	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.8610	0.311	2	109.8610	0.097	2	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(ON)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(ON)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1375	0.026	2	111.1375	0.001	2	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1870	0.000	1	111.1870	0.000	1	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3370	0.007	2	111.3370	0.000	2	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1950	0.066	2	111.1950	0.004	2	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4150	0.047	2	111.4150	0.002	2	111.1337	0.410	72	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1440	0.008	2	111.1440	0.000	2	111.3648	0.268	6	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4620	1.093	2	111.4620	1.195	2	111.3648	0.268	6	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H){1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4885	0.016	2	111.4885	0.000	2	111.3648	0.268	6	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	112.2775	0.019	2	112.2775	0.000	2	112.2775	0.000	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]I)	108.4120	0.100	2	108.4120	0.010	2	108.4120	0.010	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	112.0107	0.071	7	112.0107	0.005	7	111.9941	0.005	9	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H){2|C<4>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9170	0.000	1	111.9170	0.000	1	111.9941	0.005	9	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9550	0.000	1	111.9550	0.000	1	111.9941	0.005	9	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]2H)	112.0830	0.016	2	112.0830	0.000	2	112.0830	0.000	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2H)	111.6130	0.029	3	111.6130	0.001	3	111.6130	0.001	3	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]N[5]H)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.3237	0.116	3	112.3237	0.013	3	112.3237	0.013	3	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]2H)	112.0495	0.015	2	112.0495	0.000	2	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.6900	2.721	2	111.6900	7.404	2	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.8228	3.994	6	111.1130	11.680	8	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.9835	0.016	2	111.1130	11.680	8	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.9360	0.000	1	111.9360	0.000	1	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.1388	0.064	4	112.1388	0.004	4	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	112.0255	2.099	2	112.0255	4.407	2	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.9345	0.064	2	111.9345	0.004	2	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.2970	0.014	2	112.1593	0.026	4	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	112.0215	0.052	2	112.1593	0.026	4	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]2H)	112.0050	0.034	2	112.0050	0.001	2	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.0375	0.050	2	112.0375	0.003	2	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.1115	0.029	2	112.1115	0.001	2	111.7980	3.304	31	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.4550	0.025	2	110.4550	0.001	2	110.4440	0.001	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.4330	0.023	2	110.4330	0.001	2	110.4440	0.001	4	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	109.4962	0.128	6	109.4962	0.016	6	109.7497	0.079	18	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	109.5060	0.014	2	109.5468	0.004	4	109.7497	0.079	18	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	109.5875	0.063	2	109.5468	0.004	4	109.7497	0.079	18	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.0940	0.020	2	110.0940	0.000	2	109.7497	0.079	18	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.0145	0.053	2	110.0145	0.003	2	109.7497	0.079	18	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.0500	0.008	2	110.0285	0.001	4	109.7497	0.079	18	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.0070	0.037	2	110.0285	0.001	4	109.7497	0.079	18	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.8650	0.034	2	111.8650	0.001	2	111.8650	0.001	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	N[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	111.8610	0.007	2	111.8610	0.000	2	111.8610	0.000	2	111.1363	1.362	187	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.7610	0.061	2	111.7610	0.004	2	111.7610	0.004	2	110.9613	0.609	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0458	0.154	24	111.0458	0.024	24	110.8235	0.645	26	110.9613	0.609	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	108.1555	0.387	2	108.1555	0.150	2	110.8235	0.645	26	110.9613	0.609	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4305	0.011	2	111.4305	0.000	2	111.4305	0.000	2	110.9613	0.609	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4845	0.040	2	111.4845	0.002	2	111.4845	0.002	2	110.9613	0.609	32	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	111.9455	0.065	6	111.9455	0.004	6	111.9455	0.004	6	111.9455	0.004	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8570	0.025	2	111.8570	0.001	2	111.6702	0.177	4	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH){1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4835	0.626	2	111.4835	0.392	2	111.6702	0.177	4	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H)	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3)	H(C[5,6]C[5,6,6]C[5,6]Cl)	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]Cl)	108.5005	0.128	2	108.5005	0.016	2	108.5005	0.016	2	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	111.8046	0.128	5	111.8046	0.016	5	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.8155	0.013	2	111.8240	0.010	4	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.8325	0.173	2	111.8240	0.010	4	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.7450	0.000	1	112.1204	1.278	38	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.8520	0.023	2	112.1204	1.278	38	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	112.1465	1.176	35	112.1204	1.278	38	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|N<2>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.6875	0.021	2	111.7903	0.016	4	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.8930	0.062	2	111.7903	0.016	4	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]2H)	109.3810	0.147	2	109.3810	0.022	2	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3){1|C<3>,3|C<4>}	H(C[5,6]C[5,6]2H)	111.8245	0.021	2	111.8245	0.000	2	111.9357	1.149	55	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	109.5290	0.057	2	109.5290	0.003	2	109.4774	0.009	14	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	109.4195	0.019	2	109.5164	0.006	8	109.4774	0.009	14	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	109.5487	0.063	6	109.5164	0.006	8	109.4774	0.009	14	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	109.3870	0.064	2	109.3870	0.004	2	109.4774	0.009	14	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	109.3605	0.059	2	109.3605	0.003	2	109.4774	0.009	14	111.3711	1.991	75	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[3x5,6]C[5,6]H)	111.0830	0.093	4	111.0830	0.009	4	111.0830	0.009	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.6605	0.064	2	111.6668	0.002	6	111.6668	0.002	6	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.6300	0.000	1	111.6668	0.002	6	111.6668	0.002	6	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.6685	0.035	2	111.6668	0.002	6	111.6668	0.002	6	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.7130	0.000	1	111.6668	0.002	6	111.6668	0.002	6	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9210	0.021	4	110.9210	0.000	4	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2{1|O<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H){1|O<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.1085	2.606	2	110.1085	6.790	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2{4|Cl<1>,1|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H){4|Cl<1>,1|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0100	0.571	2	111.0100	0.326	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1215	0.021	2	111.1215	0.000	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9399	0.368	8	110.9399	0.135	8	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8762	0.049	6	110.8762	0.002	6	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0468	0.072	4	111.0468	0.005	4	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.9270	0.566	2	109.9270	0.320	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.0075	0.018	2	110.0075	0.000	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5168	0.478	6	111.2659	0.645	14	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7350	2.496	2	111.2659	0.645	14	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2438	0.032	4	111.2659	0.645	14	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Pd<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0885	0.008	2	111.2659	0.645	14	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5260	0.000	1	111.5260	0.000	1	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H){1|S<2>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2615	0.032	2	111.2615	0.001	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4467	0.097	4	111.4467	0.009	4	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1610	0.042	2	111.1610	0.002	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1107	0.051	4	111.1107	0.003	4	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1989	0.032	8	111.1989	0.001	8	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2092	0.055	8	111.2092	0.003	8	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1550	0.000	1	111.1550	0.000	1	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H){1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7975	0.466	2	110.7975	0.217	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5050	1.181	2	111.5050	1.394	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.4425	0.006	2	110.4425	0.000	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6040	0.017	2	110.6040	0.000	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3570	0.061	6	110.3570	0.004	6	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HH)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7285	0.023	2	110.7285	0.001	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5245	0.029	2	110.5245	0.001	2	110.9690	0.345	94	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0695	0.023	2	111.0648	0.001	4	111.0648	0.001	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0600	0.044	2	111.0648	0.001	4	111.0648	0.001	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9865	0.026	2	110.9865	0.001	2	111.9947	1.358	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.0030	0.088	2	113.0030	0.008	2	111.9947	1.358	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8440	0.013	2	110.8440	0.000	2	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6520	0.017	2	110.6520	0.000	2	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2{1|O<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6462	0.060	4	110.6462	0.004	4	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1418	0.027	4	111.1080	0.003	6	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0405	0.032	2	111.1080	0.003	6	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9290	0.000	1	110.9290	0.000	1	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6140	0.042	2	111.2772	0.071	6	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1088	0.061	4	111.2772	0.071	6	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9050	0.000	1	110.9050	0.000	1	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9440	2.947	2	111.9440	8.686	2	111.0671	0.525	24	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NOO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NOO)(H){1|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1957	0.065	12	111.1957	0.004	12	111.1818	0.014	28	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCC)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2720	0.010	2	111.2720	0.000	2	111.1818	0.014	28	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1803	0.033	4	111.2165	0.016	10	111.1818	0.014	28	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2407	0.162	6	111.2165	0.016	10	111.1818	0.014	28	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1065	0.026	2	111.1065	0.001	2	111.1818	0.014	28	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9100	0.016	2	110.9100	0.000	2	111.1818	0.014	28	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H){2|N<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3102	0.071	4	111.3102	0.005	4	111.3102	0.005	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H){1|Pd<4>,1|N<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2960	0.064	4	111.2960	0.004	4	111.2960	0.004	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2518	0.053	4	111.2518	0.003	4	111.3709	0.013	10	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4503	0.051	6	111.4503	0.003	6	111.3709	0.013	10	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7200	0.038	2	111.7200	0.001	2	111.8582	0.022	5	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9503	0.102	3	111.9503	0.010	3	111.8582	0.022	5	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5420	0.000	1	111.6442	0.012	5	111.6442	0.012	5	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6697	0.106	4	111.6442	0.012	5	111.6442	0.012	5	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.2225	0.013	2	111.2225	0.000	2	111.2225	0.000	2	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H){1|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.4350	1.881	2	110.4350	3.538	2	111.2010	0.730	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4563	0.037	6	111.4563	0.001	6	111.2010	0.730	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.9135	0.033	4	111.9135	0.001	4	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5345	0.008	2	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6108	0.035	5	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6580	0.110	5	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3582	0.104	4	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5762	0.033	5	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5036	0.033	7	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3685	0.009	2	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3595	0.005	2	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3595	0.013	2	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	112.1107	1.336	8	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5625	0.047	2	111.6236	0.356	44	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4910	0.055	2	111.4910	0.003	2	111.6415	0.320	50	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[4,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H)	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2Br)	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2Br)	108.2130	0.000	1	108.2130	0.000	1	108.2130	0.000	1	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2Br)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]2Br)	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2H)	111.5860	0.006	2	111.5860	0.000	2	111.5572	0.002	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2H)	111.5477	0.052	6	111.5477	0.003	6	111.5572	0.002	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2H)	111.3640	0.017	2	111.4557	0.012	4	111.4557	0.012	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2H)	111.5475	0.030	2	111.4557	0.012	4	111.4557	0.012	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.7810	0.024	2	111.7810	0.001	2	111.7810	0.001	2	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.5160	0.013	2	111.5160	0.000	2	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	H(C[5,6]C[5,6]2H)	111.6955	0.169	2	111.6955	0.029	2	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.7925	1.404	4	111.7925	1.970	4	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	110.4700	0.701	2	110.4700	0.492	2	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.8990	0.000	1	111.8990	0.000	1	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.5687	0.056	4	111.5687	0.003	4	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.7210	0.008	2	112.7210	0.000	2	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.6900	0.007	2	112.6900	0.000	2	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|N<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.7210	0.289	4	111.7210	0.083	4	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){1|Si<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.4964	0.125	8	111.4964	0.016	8	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]2H)	111.0475	3.207	2	111.0475	10.283	2	111.6509	0.796	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.6685	0.013	2	111.6685	0.000	2	111.8632	0.051	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.0580	0.049	2	112.0580	0.002	2	111.8632	0.051	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	112.1315	0.008	2	112.1315	0.000	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.9125	0.029	2	111.9125	0.001	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,6]2H)	111.3845	0.006	2	111.3845	0.000	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.4620	0.000	1	111.4620	0.000	1	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.0940	0.000	1	112.0940	0.000	1	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.4040	0.495	2	112.4040	0.245	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.4176	1.967	5	112.2989	2.620	7	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.0020	0.011	2	112.2989	2.620	7	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.9375	1.322	2	112.9375	1.747	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.1413	0.093	3	112.1413	0.009	3	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.6550	0.000	1	110.8923	0.446	3	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.5110	0.137	2	110.8923	0.446	3	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	111.5820	0.017	2	111.5820	0.000	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	113.3560	0.287	2	113.3560	0.082	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.8575	0.035	2	112.8575	0.001	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.7125	0.030	2	111.7125	0.001	2	112.1002	0.987	33	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.0295	0.144	2	112.0295	0.021	2	111.7610	0.103	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]2H)	111.4925	0.005	2	111.4925	0.000	2	111.7610	0.103	4	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.6780	0.006	2	111.6780	0.000	2	111.8441	0.025	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.6320	0.000	1	111.6320	0.000	1	111.8441	0.025	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	112.0055	0.042	2	112.0055	0.002	2	111.8441	0.025	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.9180	0.041	3	111.9180	0.002	3	111.8441	0.025	8	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.5605	0.073	6	111.5654	0.005	7	111.5654	0.005	7	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.5950	0.000	1	111.5654	0.005	7	111.5654	0.005	7	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2I)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]2I)	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	111.3654	0.640	359	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	H(C[5,6]C[3x5,6,6]C[5,6]H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[3x5,6,6]C[5,6]H)	110.8610	0.020	2	110.8610	0.000	2	110.8610	0.000	2	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3005	8.971	2	111.3005	80.480	2	110.8270	3.610	24	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9917	0.063	4	110.9917	0.004	4	110.8270	3.610	24	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6292	0.455	4	110.6292	0.207	4	110.8270	3.610	24	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7198	0.295	12	110.7198	0.087	12	110.8270	3.610	24	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0620	0.014	2	111.0620	0.000	2	110.8270	3.610	24	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC){2|N<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9213	0.161	4	110.9213	0.026	4	110.9213	0.026	4	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6])	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6]){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8305	3.463	2	111.8305	11.990	2	111.8305	11.990	2	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.2505	2.125	2	110.2505	4.515	2	111.3149	1.282	7	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7650	0.011	2	111.7650	0.000	2	111.3149	1.282	7	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7243	0.017	3	111.7243	0.000	3	111.3149	1.282	7	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.8660	0.008	2	111.8660	0.000	2	111.8660	0.000	2	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5270	0.021	2	111.5270	0.000	2	111.3912	0.013	6	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3233	0.059	4	111.3233	0.003	4	111.3912	0.013	6	111.0810	2.304	48	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Cl)	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1160	0.006	2	111.1160	0.000	2	111.1160	0.000	2	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1240	0.033	2	111.1240	0.001	2	111.1240	0.001	2	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[5]C[5]2)(CNO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2{3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[5]C[5]2)(CNO){2|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5870	3.807	2	110.5870	14.494	2	110.5870	14.494	2	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.5147	0.014	4	111.5147	0.000	4	111.5147	0.000	4	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.4910	0.013	2	111.4910	0.000	2	111.4910	0.000	2	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.4020	0.006	2	111.4020	0.000	2	111.4020	0.000	2	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	110.9830	0.059	2	110.9830	0.004	2	110.9830	0.004	2	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	H(C[5,6]C[5,6]2H)	111.2480	0.097	3	111.2480	0.009	3	111.2480	0.009	3	111.1748	0.990	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5606	0.047	5	111.5606	0.002	5	111.4470	0.073	11	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7955	0.012	2	111.7955	0.000	2	111.4470	0.073	11	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1635	0.064	2	111.1308	0.003	4	111.4470	0.073	11	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0980	0.035	2	111.1308	0.003	4	111.4470	0.073	11	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.9736	0.063	14	110.9736	0.004	14	111.0512	0.049	31	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4525	0.021	2	111.4525	0.000	2	111.0512	0.049	31	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|Br<1>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|Br<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0280	0.016	2	110.9492	0.012	12	111.0512	0.049	31	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.9778	0.070	8	110.9492	0.012	12	111.0512	0.049	31	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.7560	0.010	2	110.9492	0.012	12	111.0512	0.049	31	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5540	0.044	3	111.5540	0.002	3	111.0512	0.049	31	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2H)	111.2773	0.022	4	111.2773	0.000	4	111.2773	0.000	4	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:Si-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.5288	0.112	6	111.5288	0.013	6	111.5288	0.013	6	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	111.2965	0.012	2	111.2965	0.000	2	111.2965	0.000	2	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.6945	0.040	2	111.6945	0.002	2	111.6945	0.002	2	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]2H)	110.8235	2.699	2	110.8235	7.285	2	110.8235	7.285	2	111.2141	0.217	58	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.1240	0.116	2	111.1240	0.013	2	111.1240	0.013	2	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2{1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6702	0.083	6	111.6702	0.007	6	111.6702	0.007	6	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2395	0.107	2	111.2395	0.011	2	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3725	0.022	2	111.3725	0.000	2	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5543	0.021	3	111.5543	0.000	3	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7365	0.011	2	111.7365	0.000	2	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.6215	1.411	2	109.6215	1.990	2	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9287	0.816	6	110.7302	0.611	8	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.1350	0.083	2	110.7302	0.611	8	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0027	0.033	8	111.0027	0.001	8	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0940	0.000	1	111.0940	0.000	1	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H){1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7520	0.014	2	110.7520	0.000	2	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H){1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8868	0.020	4	110.8868	0.000	4	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2100	1.290	2	111.2100	1.663	2	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.1040	0.000	1	111.1040	0.000	1	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3835	0.011	2	111.3835	0.000	2	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5033	0.016	3	111.5033	0.000	3	111.0336	0.391	42	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4655	0.023	4	111.4655	0.001	4	110.8172	2.373	9	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NRuCH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NRuCH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	109.7730	2.635	3	109.7730	6.943	3	110.8172	2.373	9	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0870	0.000	2	111.0870	0.000	2	110.8172	2.373	9	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3715	0.016	2	110.3715	0.000	2	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.3526	0.096	7	110.3526	0.009	7	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2040	0.079	4	111.2040	0.006	4	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<3>,1|H<1>,1|P<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4535	0.141	6	111.4535	0.020	6	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5205	0.043	2	111.4910	0.004	3	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4320	0.000	1	111.4910	0.004	3	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6925	0.052	2	110.6925	0.003	2	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8440	0.041	2	110.8440	0.002	2	110.9344	0.246	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6302	0.051	5	110.6302	0.003	5	110.6173	0.005	9	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.6013	0.099	4	110.6013	0.010	4	110.6173	0.005	9	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9592	0.788	4	110.9592	0.622	4	110.9592	0.622	4	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5040	0.000	1	111.6220	0.012	3	111.6220	0.012	3	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6810	0.058	2	111.6220	0.012	3	111.6220	0.012	3	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6895	0.016	2	111.6895	0.000	2	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9280	0.021	2	111.9280	0.000	2	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.9180	0.027	2	111.9180	0.001	2	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	116.8380	4.247	2	113.8466	9.538	8	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.1470	2.731	2	113.8466	9.538	8	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	113.9330	3.328	2	113.8466	9.538	8	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4685	0.019	2	113.8466	9.538	8	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|P<4>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2745	0.067	4	111.2745	0.004	4	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6125	0.064	2	111.6125	0.004	2	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|S<4>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.7595	0.053	2	111.7595	0.003	2	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.6497	0.034	3	111.6497	0.001	3	112.3454	3.925	25	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]I)	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.6730	0.004	2	111.6730	0.000	2	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4005	0.009	2	111.4005	0.000	2	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5815	0.030	2	111.5763	0.000	4	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5710	0.013	2	111.5763	0.000	4	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	112.0420	0.014	2	112.0420	0.000	2	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0137	0.019	3	111.0137	0.000	3	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5330	0.020	2	111.4287	0.007	6	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3940	0.007	2	111.4287	0.007	6	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3590	0.048	2	111.4287	0.007	6	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3752	0.037	4	111.4145	0.005	6	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.4930	0.027	2	111.4145	0.005	6	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.8718	0.261	5	111.8673	0.055	6	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.8450	0.000	1	111.8673	0.055	6	111.5432	0.085	31	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	H(C[5,6]C[5,6]2Br)	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2Br)	108.1220	0.000	1	108.1220	0.000	1	107.6975	0.360	2	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2Br)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2Br)	107.2730	0.000	1	107.2730	0.000	1	107.6975	0.360	2	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.4225	0.023	2	111.4225	0.001	2	111.4225	0.001	2	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2H)	111.3825	0.046	2	111.3825	0.002	2	111.3825	0.002	2	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2{3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.5914	0.107	5	111.5914	0.011	5	111.5914	0.011	5	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.3020	0.094	9	111.3020	0.009	9	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.2640	0.000	1	111.2640	0.000	1	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.6650	0.008	2	111.6650	0.000	2	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.7900	0.017	2	111.7900	0.000	2	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	112.0905	0.008	2	112.0905	0.000	2	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.9975	3.890	2	111.9975	15.131	2	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	111.9665	0.006	2	111.9665	0.000	2	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.6243	0.033	4	111.2407	0.356	6	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	110.4735	0.097	2	111.2407	0.356	6	111.5171	0.785	26	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.8095	0.013	2	111.8095	0.000	2	111.8092	0.323	14	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]2H)	111.8365	0.026	2	111.8227	0.002	4	111.8092	0.323	14	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	H(C[5,6]C[5,6]2H)	111.8090	0.065	2	111.8227	0.002	4	111.8092	0.323	14	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.9275	0.039	2	111.9275	0.002	2	111.8092	0.323	14	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.6940	0.038	2	111.7537	0.005	4	111.8092	0.323	14	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.8135	0.005	2	111.7537	0.005	4	111.8092	0.323	14	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.7745	2.033	2	111.7745	4.133	2	111.8092	0.323	14	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.4560	0.011	2	111.4560	0.000	2	111.6100	1.003	10	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<4>,7|H<1>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.6840	0.035	2	111.6840	0.001	2	111.6100	1.003	10	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.1600	2.877	2	111.6367	1.793	6	111.6100	1.003	10	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.8265	0.013	2	111.6367	1.793	6	111.6100	1.003	10	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.9235	0.009	2	111.6367	1.793	6	111.6100	1.003	10	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2I)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2I)	106.6980	0.000	1	106.6980	0.000	1	106.6980	0.000	1	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H)	H(C[5,6]N[5,5,6,6]C[5,6]H)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,5,6,6]C[5,6]H)	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	111.3525	1.251	221	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.5970	0.042	2	110.5970	0.002	2	110.7822	0.127	6	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8748	0.421	4	110.8748	0.177	4	110.7822	0.127	6	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[4]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2{1|Co<9>,2|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH){4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0495	0.206	4	111.0495	0.043	4	111.0495	0.043	4	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2{3|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH){1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8405	0.005	2	110.8405	0.000	2	110.8405	0.000	2	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|F<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.8735	0.022	2	111.8735	0.000	2	111.8735	0.000	2	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH){2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3155	0.047	2	111.3155	0.002	2	111.3155	0.002	2	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.5625	0.037	2	111.5625	0.001	2	111.5625	0.001	2	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]2H)	111.8030	0.037	2	111.8030	0.001	2	111.8030	0.001	2	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2{3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	111.6213	0.056	4	111.6213	0.003	4	111.6213	0.003	4	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.2738	0.042	4	111.3682	0.008	12	111.4293	0.055	22	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.4385	0.022	2	111.3682	0.008	12	111.4293	0.055	22	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.4077	0.066	6	111.3682	0.008	12	111.4293	0.055	22	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.5078	0.060	4	111.5078	0.004	4	111.4293	0.055	22	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.4405	0.021	2	111.4405	0.000	2	111.4293	0.055	22	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.5285	0.562	4	111.5285	0.316	4	111.4293	0.055	22	111.3393	0.138	46	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2	C[5,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(CH3)(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2{1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.8540	0.000	1	110.8540	0.000	1	111.3093	0.158	3	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]CC)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]CC)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.5370	0.071	2	111.5370	0.005	2	111.3093	0.158	3	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(H)2	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(CHHS)(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(CHHS)(COO){1|C<3>,1|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.2240	0.062	2	111.2240	0.004	2	111.2240	0.004	2	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)(COO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2{1|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)(COO){1|C<4>,1|N<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.0395	0.063	2	111.0395	0.004	2	111.0395	0.004	2	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5,5,6]N[5]H)(C[5,6]C[5,6,6]HH)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(H)2{2|C<4>,2|N<3>,8|H<1>}	C[5,6](C[5,6]C[5,5,6]N[5]H)(C[5,6]C[5,6,6]HH)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.7075	0.030	2	111.7075	0.001	2	111.7075	0.001	2	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|C<4>,6|H<1>}	H(C[5,6]C[5,6]2H)	111.8565	0.062	4	111.8113	0.007	6	111.8113	0.007	6	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	H(C[5,6]C[5,6]2H)	111.7210	0.006	2	111.8113	0.007	6	111.8113	0.007	6	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO){4|H<1>,6|C<4>}	H(C[5,6]C[5,6]2H)	111.1260	0.392	2	111.1260	0.153	2	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]2H)	111.9765	0.025	2	111.9352	0.003	4	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	H(C[5,6]C[5,6]2H)	111.8940	0.024	2	111.9352	0.003	4	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	H(C[5,6]C[5,6]2H)	111.8825	0.062	2	111.8825	0.004	2	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.7550	0.000	1	111.7550	0.000	1	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.7207	0.467	20	111.7207	0.218	20	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.7965	0.032	2	111.4031	1.528	20	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.5078	0.463	4	111.4031	1.528	20	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.8880	0.010	2	111.4031	1.528	20	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.9450	0.089	4	111.4031	1.528	20	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	110.8601	1.852	8	111.4031	1.528	20	111.5916	0.739	49	111.5738	0.591	64	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(CH3)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	111.1695	0.033	2	111.1695	0.001	2	111.1695	0.001	2	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7860	2.154	2	110.7860	4.639	2	111.0462	0.903	10	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.7895	0.032	2	110.7895	0.001	2	111.0462	0.903	10	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.9030	0.037	2	110.9030	0.001	2	111.0462	0.903	10	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.3762	0.956	4	111.3762	0.915	4	111.0462	0.903	10	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:N-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	110.2635	1.552	2	110.2635	2.409	2	110.2635	2.409	2	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	111.4310	0.024	2	111.4310	0.001	2	111.4310	0.001	2	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0850	0.042	2	111.0850	0.002	2	111.0850	0.002	2	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.0195	0.005	2	111.0195	0.000	2	111.1267	0.050	6	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	110.9645	0.008	2	110.9645	0.000	2	111.1267	0.050	6	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO){2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	111.3960	0.170	2	111.3960	0.029	2	111.1267	0.050	6	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	111.5230	0.000	1	111.5230	0.000	1	111.4083	0.011	3	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.3510	0.052	2	111.3510	0.003	2	111.4083	0.011	3	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.2936	0.078	8	111.2855	0.005	10	111.3214	0.025	29	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	111.2530	0.004	2	111.2855	0.005	10	111.3214	0.025	29	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2H)	111.4385	0.030	2	111.3918	0.003	10	111.3214	0.025	29	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2H)	111.3801	0.057	8	111.3918	0.003	10	111.3214	0.025	29	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]2H)	111.6190	0.046	3	111.6190	0.002	3	111.3214	0.025	29	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.1575	0.075	4	111.1575	0.006	4	111.3214	0.025	29	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	111.0305	0.067	2	111.0305	0.005	2	111.3214	0.025	29	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	111.8713	0.070	3	111.8713	0.005	3	111.8713	0.005	3	111.2420	0.267	59	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.0493	0.144	3	112.0948	0.022	4	112.0948	0.022	4	110.3795	3.406	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.2310	0.000	1	112.0948	0.022	4	112.0948	0.022	4	110.3795	3.406	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	H(C[5,6]C[5,6]Se[6]C[5])	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	H(C[5,6]C[5,6]Se[6]C[5])	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	110.3795	3.406	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6474	0.380	5	108.6474	0.144	5	108.6474	0.144	5	110.3795	3.406	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.3040	0.000	1	111.2590	0.004	2	111.2590	0.004	2	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.2140	0.000	1	111.2590	0.004	2	111.2590	0.004	2	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9385	0.766	2	109.9385	0.586	2	109.9643	0.295	3	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0160	0.000	1	110.0160	0.000	1	109.9643	0.295	3	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4110	0.000	1	110.4110	0.000	1	110.1200	0.169	2	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8290	0.000	1	109.8290	0.000	1	110.1200	0.169	2	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5195	0.083	2	109.5195	0.007	2	110.2145	0.648	4	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.9095	0.069	2	110.9095	0.005	2	110.2145	0.648	4	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.0000	0.000	1	109.0000	0.000	1	109.6220	0.264	5	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7775	0.437	4	109.7775	0.191	4	109.6220	0.264	5	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.1693	0.472	8	109.1693	0.223	8	109.1314	0.194	10	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9800	0.365	2	108.9800	0.133	2	109.1314	0.194	10	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	H(C[5,6]C[5,6]C[6]S[5])	108.7130	0.000	2	108.9875	0.628	17	108.9764	0.593	18	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]C[6]S[5])	109.2094	0.915	11	108.9875	0.628	17	108.9764	0.593	18	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	H(C[5,6]C[5,6]C[6]S[5])	108.5145	0.180	4	108.9875	0.628	17	108.9764	0.593	18	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	108.7890	0.000	1	108.7890	0.000	1	108.9764	0.593	18	109.4757	0.848	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H){4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.9207	0.274	4	108.9207	0.075	4	108.9207	0.075	4	108.9207	0.075	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.2095	1.570	2	112.2095	2.466	2	112.2095	2.466	2	110.7093	3.132	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	H(C[5,6]C[4,6]C[5,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[4,6]C[5,6]O[5])	111.2250	0.000	1	109.5980	5.294	2	109.5980	5.294	2	110.7093	3.132	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	H(C[5,6]C[4,6]C[5,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[4,6]C[5,6]O[5])	107.9710	0.000	1	109.5980	5.294	2	109.5980	5.294	2	110.7093	3.132	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]2O)	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	110.7093	3.132	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]2O[5])	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	110.7093	3.132	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	110.7093	3.132	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2O)	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	109.2027	6.303	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:2:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H){1|C<2>,1|N<2>,6|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	107.7625	0.402	2	107.7625	0.162	2	107.7625	0.162	2	109.2027	6.303	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:3:4:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.1075	0.129	2	111.1075	0.017	2	111.1075	0.017	2	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H)	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,6|H<1>}	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5470	0.000	1	108.5470	0.000	1	109.3135	1.175	2	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0800	0.000	1	110.0800	0.000	1	109.3135	1.175	2	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.8650	0.150	2	109.5916	0.149	5	109.5916	0.149	5	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.4093	0.402	3	109.5916	0.149	5	109.5916	0.149	5	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7710	0.182	2	109.7710	0.033	2	109.8395	0.061	6	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.8738	0.293	4	109.8738	0.086	4	109.8395	0.061	6	109.6362	0.585	20	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,6]2O)	111.6165	0.098	2	111.6165	0.010	2	111.6165	0.010	2	111.6165	0.010	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]2O[5])	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	111.2005	10.319	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	111.2005	10.319	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	108.1180	0.000	1	108.1180	0.000	1	108.6132	0.619	5	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	107.7000	0.000	1	108.7370	0.723	4	108.6132	0.619	5	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	108.5200	0.000	1	108.7370	0.723	4	108.6132	0.619	5	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	109.0030	0.000	1	108.7370	0.723	4	108.6132	0.619	5	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	109.7250	0.000	1	108.7370	0.723	4	108.6132	0.619	5	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.8030	0.000	1	110.0362	0.369	33	110.0362	0.369	33	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.8280	0.000	1	110.0362	0.369	33	110.0362	0.369	33	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.3327	0.257	3	110.0362	0.369	33	110.0362	0.369	33	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.9914	0.641	27	110.0362	0.369	33	110.0362	0.369	33	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	109.7980	0.000	1	110.0362	0.369	33	110.0362	0.369	33	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.4320	0.030	2	111.4320	0.001	2	111.4320	0.001	2	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.9220	0.000	1	110.0610	0.039	2	109.9447	0.060	3	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2000	0.000	1	110.0610	0.039	2	109.9447	0.060	3	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7120	0.000	1	109.7120	0.000	1	109.9447	0.060	3	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.9047	0.650	47	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.0930	0.000	1	109.0930	0.000	1	109.6972	0.122	5	109.6972	0.122	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.7720	0.000	1	109.7720	0.000	1	109.6972	0.122	5	109.6972	0.122	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:2:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.8737	0.108	3	109.8737	0.012	3	109.6972	0.122	5	109.6972	0.122	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.9705	0.238	2	111.9705	0.057	2	111.9705	0.057	2	110.8552	1.700	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7400	0.260	2	109.7400	0.068	2	109.7400	0.068	2	110.8552	1.700	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	108.9220	0.000	1	109.2350	0.196	2	109.2350	0.196	2	109.2350	0.196	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.5480	0.000	1	109.2350	0.196	2	109.2350	0.196	2	109.2350	0.196	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[3,6,6]C[5,6]O[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,6]C[3,6,6]C[5,6]O[5])	109.6435	0.445	2	109.4033	0.272	3	109.4033	0.272	3	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[3,6,6]C[5,6]O[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5,6]C[3,6,6]C[5,6]O[5])	108.9230	0.000	1	109.4033	0.272	3	109.4033	0.272	3	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	106.7200	0.000	1	106.7200	0.000	1	109.0055	10.447	2	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	111.2910	0.000	1	111.2910	0.000	1	109.0055	10.447	2	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	109.7623	2.611	3	109.7623	6.817	3	109.7623	6.817	3	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.8990	0.175	2	109.8990	0.031	2	109.9867	0.064	6	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.2880	0.040	2	110.2880	0.002	2	109.9867	0.064	6	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.7730	0.038	2	109.7730	0.001	2	109.9867	0.064	6	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H){1|B<3>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.2720	0.000	1	108.2720	0.000	1	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9815	0.282	2	109.9815	0.080	2	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1605	0.107	2	110.1577	0.004	4	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1550	0.023	2	110.1577	0.004	4	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6325	0.251	2	109.6325	0.063	2	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8885	0.342	2	109.8885	0.117	2	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4250	0.000	1	110.4250	0.000	1	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2700	0.041	2	109.2700	0.002	2	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	113.7260	0.000	1	113.7260	0.000	1	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9115	0.511	2	110.0673	0.204	3	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3790	0.000	1	110.0673	0.204	3	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3070	0.000	1	110.3070	0.000	1	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8460	1.458	2	110.1540	1.348	3	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.7700	0.000	1	110.1540	1.348	3	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8220	0.000	1	109.7985	0.001	2	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7750	0.000	1	109.7985	0.001	2	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0650	1.385	2	110.0650	1.917	2	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8257	0.221	3	109.8257	0.049	3	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8951	0.157	8	109.8951	0.025	8	109.9982	0.681	37	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0005	0.018	2	110.0005	0.000	2	110.0005	0.000	2	109.9573	1.022	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O)	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8350	0.000	1	109.8350	0.000	1	110.3309	3.469	8	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7630	0.000	1	109.7630	0.000	1	110.3309	3.469	8	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.1610	0.000	1	108.6585	4.515	2	110.3309	3.469	8	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.1560	0.000	1	108.6585	4.515	2	110.3309	3.469	8	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.9860	0.648	2	111.4330	2.915	4	110.3309	3.469	8	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	113.8200	0.000	1	111.4330	2.915	4	110.3309	3.469	8	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9400	0.000	1	111.4330	2.915	4	110.3309	3.469	8	110.0190	3.911	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[4,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H)	H(C[5,6]C[4,6]C[5,6]O[5])	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[4,6]C[5,6]O[5])	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,5]-4:C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H)	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	H(C[5,6]C[5,5]C[5,6]N[6])	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-3:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2O[5])	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.4170	0.000	1	107.1865	0.106	2	107.1865	0.106	2	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	106.9560	0.000	1	107.1865	0.106	2	107.1865	0.106	2	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.4060	0.000	1	109.4060	0.000	1	110.1190	1.017	2	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.8320	0.000	1	110.8320	0.000	1	110.1190	1.017	2	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	109.0636	2.143	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:3:4:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H){2|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){1|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[6])	109.6820	0.000	2	109.6820	0.000	2	109.6820	0.000	2	109.6820	0.000	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]2O)	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	110.4184	1.468	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	110.7960	0.000	1	110.7960	0.000	1	110.0055	1.250	2	110.4184	1.468	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	109.2150	0.000	1	109.2150	0.000	1	110.0055	1.250	2	110.4184	1.468	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[6])	111.7830	0.059	2	111.7830	0.004	2	111.7830	0.004	2	110.4184	1.468	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	110.4184	1.468	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	110.4184	1.468	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	110.4184	1.468	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3){1|O<2>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]2O[5])	109.1357	0.450	3	109.1357	0.202	3	109.1357	0.202	3	109.0619	0.098	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6,6]C[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6,6]C[5]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	109.0619	0.098	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0330	0.041	2	109.0330	0.002	2	109.1060	0.017	3	109.0619	0.098	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2520	0.000	1	109.2520	0.000	1	109.1060	0.017	3	109.0619	0.098	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2	H(C[5,6]C[3x5,6]C[5,6]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H){2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	H(C[5,6]C[3x5,6]C[5,6]C)	109.9595	0.286	2	109.9595	0.082	2	109.9595	0.082	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[3x6]C[5,6]O[5])	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[3x6]C[5,6]O[5])	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,4x5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2	H(C[5,6]C[4,4x5,6]C[5,6]O)	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[4,4x5,6]C[5,6]O)	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.2260	0.000	1	110.2260	0.000	1	110.2260	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HI)(CC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.1065	0.122	2	110.1065	0.015	2	110.1065	0.015	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.0380	0.342	2	109.0380	0.117	2	109.0380	0.117	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H){4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.6060	0.096	2	109.6060	0.009	2	109.6060	0.009	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<2>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.1270	0.000	1	109.8810	0.050	3	109.8900	0.034	4	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.7580	0.098	2	109.8810	0.050	3	109.8900	0.034	4	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.9170	0.000	1	109.9170	0.000	1	109.8900	0.034	4	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.3550	0.000	1	112.3550	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	113.3560	0.000	1	113.3560	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.5115	2.004	10	110.5115	4.016	10	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.9420	0.734	6	111.9420	0.539	6	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.9327	0.191	4	110.3180	1.479	9	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.6262	1.632	5	110.3180	1.479	9	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.8460	0.000	2	109.8460	0.000	2	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.6900	0.000	1	111.5512	0.053	4	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.6950	0.000	1	111.5512	0.053	4	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.6100	0.000	1	111.5512	0.053	4	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.2100	0.000	1	111.5512	0.053	4	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	114.1210	0.000	1	114.1210	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(ON)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(ON)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.3390	0.000	1	111.3390	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.4030	0.000	1	110.4030	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.1580	0.000	1	110.1580	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.9350	0.000	1	110.9350	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.7520	0.000	1	109.7520	0.000	1	110.9729	2.275	39	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.8340	0.000	1	107.8340	0.000	1	109.4700	3.376	3	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	109.1180	0.000	1	109.1180	0.000	1	109.4700	3.376	3	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.4580	0.000	1	111.4580	0.000	1	109.4700	3.376	3	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[4,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]BrH)(O[5]C[4,5,5])(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[4,5,6]ClH)(O[5]C[4,5,5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	112.1380	0.000	1	112.1380	0.000	1	111.4590	0.922	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	110.7800	0.000	1	110.7800	0.000	1	111.4590	0.922	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	109.5975	0.016	2	109.5975	0.000	2	109.5975	0.000	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H)	C[5,6](C[5,6]C[6]N[5]H)2(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	112.3835	0.534	2	112.3835	0.285	2	112.3835	0.285	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2950	0.181	4	110.2950	0.033	4	110.5665	0.240	6	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H){2|C<4>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.7800	0.000	1	110.7800	0.000	1	110.5665	0.240	6	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4390	0.000	1	111.4390	0.000	1	110.5665	0.240	6	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4700	0.000	1	111.4700	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1850	0.000	1	111.1850	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1490	0.000	1	111.1490	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	115.0830	0.000	1	115.0830	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.0627	0.827	3	111.9102	0.548	4	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4530	0.000	1	111.9102	0.548	4	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4160	0.000	1	111.4160	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8180	0.000	1	110.8180	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.2690	0.000	1	111.0970	0.059	2	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.9250	0.000	1	111.0970	0.059	2	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4070	0.037	2	111.4070	0.001	2	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.5820	0.000	1	111.5820	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3330	0.000	1	110.3330	0.000	1	111.6053	1.163	16	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	109.3990	0.000	1	109.3990	0.000	1	109.4760	0.012	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	109.5530	0.000	1	109.5530	0.000	1	109.4760	0.012	2	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]Se[5]C[6])	108.7220	0.000	1	108.7220	0.000	1	108.7894	0.060	9	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]Se[5]C[6])	108.6080	0.166	3	108.6080	0.028	3	108.7894	0.060	9	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	109.1100	0.000	1	109.1100	0.000	1	108.7894	0.060	9	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	109.2030	0.000	1	108.9790	0.100	2	108.7894	0.060	9	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]Se[5]C[6])	108.7550	0.000	1	108.9790	0.100	2	108.7894	0.060	9	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]Se[5]C[6])	108.8980	0.000	1	108.7455	0.047	2	108.7894	0.060	9	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	H(C[5,6]C[5,6]Se[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]Se[5]C[6])	108.5930	0.000	1	108.7455	0.047	2	108.7894	0.060	9	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	110.6295	1.933	103	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[3,6]C[5,6]O[5])	110.5295	1.316	2	110.5295	1.732	2	110.5295	1.732	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3,6]C[5,6]O[5])	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[3x6]C[5,6]O[5])	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[3x6]C[5,6]O[5])	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.4878	1.230	4	110.4878	1.512	4	110.4878	1.512	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	108.0895	1.718	2	108.0895	2.950	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.0535	0.334	4	111.0535	0.112	4	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.6080	0.171	2	109.6080	0.029	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	107.8505	0.084	2	107.8505	0.007	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.5780	0.000	1	109.3120	3.206	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	108.0460	0.000	1	109.3120	3.206	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.0425	1.910	4	112.0425	3.647	4	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.1440	1.385	2	110.1440	1.917	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.8215	0.142	2	111.8215	0.020	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.8555	0.457	2	109.8555	0.209	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.2720	0.000	1	109.2720	0.000	1	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.6075	0.158	2	109.6075	0.025	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.6830	0.419	2	110.6830	0.175	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.3355	0.081	2	111.3355	0.007	2	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|O<2>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<4>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.0070	0.000	1	110.0070	0.000	1	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<4>,1|O<2>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.5100	0.000	1	111.5100	0.000	1	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.9110	0.000	1	111.9110	0.000	1	110.3656	2.337	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H){2|C<4>,2|F<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.7210	0.000	1	112.7210	0.000	1	112.7236	0.031	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.7242	0.202	4	112.7242	0.041	4	112.7236	0.031	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6]O[5])	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	109.7145	0.104	2	109.7145	0.011	2	109.7145	0.011	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H){2|C<4>,2|F<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.1493	0.259	3	111.2340	0.073	4	111.2340	0.073	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.4880	0.000	1	111.2340	0.073	4	111.2340	0.073	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.1091	2.383	7	112.1091	5.680	7	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8740	0.058	2	111.8740	0.003	2	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	107.0700	0.000	1	107.0700	0.000	1	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.5740	0.000	1	111.6676	0.162	9	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	110.6840	0.000	1	111.6676	0.162	9	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8214	0.162	7	111.6676	0.162	9	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8640	0.000	1	111.8640	0.000	1	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.5060	0.000	1	112.0233	0.256	12	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8075	0.464	6	112.0233	0.256	12	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.9210	0.000	1	112.0233	0.256	12	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.0010	0.000	1	112.0233	0.256	12	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.3353	0.681	3	112.0233	0.256	12	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.2420	0.000	1	111.2420	0.000	1	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	110.0480	0.000	1	111.3423	1.213	4	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.5090	0.993	2	111.3423	1.213	4	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.3030	0.000	1	111.3423	1.213	4	111.7120	1.848	37	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C)	109.3723	0.207	4	109.3723	0.043	4	109.3723	0.043	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H){2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|Si<4>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	111.8035	0.013	2	111.8035	0.000	2	109.8632	3.142	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H)	H(C[5,6]C[5,6,6]C[5,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O[5])	108.5697	0.098	3	108.5697	0.010	3	109.8632	3.142	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O)	111.6520	0.000	1	111.6520	0.000	1	110.7918	2.004	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	112.5303	0.383	3	112.5303	0.147	3	110.7918	2.004	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	H(C[5,6]C[5,6]2O)	110.8280	0.000	2	110.8280	0.000	2	110.7918	2.004	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,6]2O)	110.8220	0.000	1	109.5622	0.594	5	110.7918	2.004	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2O)	109.2473	0.362	4	109.5622	0.594	5	110.7918	2.004	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	H(C[5,6]C[5,6]2O)	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O)	111.3400	0.000	1	111.3400	0.000	1	109.7716	2.045	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O)	110.5720	0.000	1	110.5720	0.000	1	109.7716	2.045	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O)	109.1873	0.284	4	109.1873	0.081	4	109.7716	2.045	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]2O)	109.7747	2.617	3	109.7747	6.848	3	109.7716	2.045	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]2O)	109.7310	0.000	1	109.7310	0.000	1	109.7716	2.045	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.5185	0.568	2	110.5185	0.322	2	110.5185	0.322	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	110.9835	0.050	2	110.9835	0.003	2	110.9835	0.003	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|Si<4>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.2140	0.099	2	109.2140	0.010	2	109.2014	0.079	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]2O[5])	109.1930	0.391	3	109.1930	0.153	3	109.2014	0.079	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.5200	2.307	2	109.5200	5.320	2	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	109.3040	0.139	2	109.3040	0.019	2	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	111.9860	0.000	1	111.9860	0.000	1	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]2O[5])	109.5480	0.000	1	109.5480	0.000	1	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	110.2290	0.894	8	110.2290	0.799	8	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	111.5265	0.309	2	111.5265	0.095	2	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2O[5])	109.7885	0.040	2	109.7885	0.002	2	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	110.2560	0.000	1	110.2560	0.000	1	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.6235	0.155	2	109.6235	0.024	2	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.9030	0.187	2	110.0450	0.389	21	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2O[5])	110.3055	0.013	2	110.0450	0.389	21	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	110.0311	0.688	17	110.0450	0.389	21	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,1|O<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	110.1720	0.000	1	110.3562	0.172	5	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	110.4022	0.463	4	110.3562	0.172	5	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	108.6997	2.049	4	109.8553	2.866	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.7330	0.000	1	109.8553	2.866	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	116.2260	0.000	1	109.8553	2.866	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.7903	1.067	25	109.8553	2.866	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	109.0870	0.000	1	109.0870	0.000	1	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.8380	0.091	4	109.3568	1.164	5	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,1|O<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	107.4320	0.000	1	109.3568	1.164	5	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	113.2250	0.000	1	109.6160	2.708	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	108.4582	2.726	4	109.6160	2.708	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.6495	1.299	25	109.6160	2.708	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	109.8010	0.000	1	109.6160	2.708	31	109.8727	1.837	115	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]2O[5])	109.1897	0.151	3	109.1897	0.023	3	109.1897	0.023	3	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	110.8460	0.000	1	110.8460	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.2834	0.977	5	109.2834	0.955	5	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.5330	0.000	1	109.5330	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]2O[5])	109.6410	0.000	1	109.6410	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	111.5600	0.318	2	110.4975	0.916	10	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.2319	0.872	8	110.4975	0.916	10	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.2930	0.000	1	110.2930	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.7360	0.000	1	109.7360	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.6190	0.000	1	110.6190	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	109.5710	0.049	2	109.8928	0.579	20	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.9286	0.796	18	109.8928	0.579	20	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.6720	0.000	1	108.2910	6.645	3	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	105.3170	0.000	1	108.2910	6.645	3	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.8840	0.000	1	108.2910	6.645	3	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.2370	0.000	1	110.2370	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	108.8670	0.000	1	110.2693	0.845	26	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.7120	0.000	1	110.2693	0.845	26	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.3510	0.901	24	110.2693	0.845	26	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,1|O<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.0910	0.000	1	110.3224	0.145	5	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.3803	0.414	4	110.3224	0.145	5	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	101.3600	0.000	1	101.3600	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	108.9750	0.000	1	108.9750	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.8150	0.000	1	110.8150	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.2620	0.000	1	109.2620	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[5,6]C[5,6]2O[5])	110.4520	0.000	1	110.4520	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	108.6910	0.000	1	108.9385	0.123	2	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.1860	0.000	1	108.9385	0.123	2	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	109.6550	0.000	1	109.6550	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	111.6670	0.000	1	111.6670	0.000	1	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	108.6970	0.000	1	109.5965	1.618	2	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	110.4960	0.000	1	109.5965	1.618	2	109.9184	1.859	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[6])	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[6])	111.7540	0.008	2	111.7540	0.000	2	111.3558	0.212	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[6])	110.9575	0.029	2	110.9575	0.001	2	111.3558	0.212	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[6])	110.9355	0.050	2	110.9355	0.003	2	110.9355	0.003	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.8630	0.000	1	110.8630	0.000	1	110.8706	0.080	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.8725	0.327	4	110.8725	0.107	4	110.8706	0.080	5	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.9530	0.000	1	110.9530	0.000	1	111.4405	2.060	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.8650	0.132	3	110.8650	0.017	3	111.4405	2.060	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.4870	0.000	2	111.4870	0.000	2	111.4405	2.060	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	115.6570	0.000	1	111.8646	4.606	5	111.4405	2.060	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.9165	0.386	4	111.8646	4.606	5	111.4405	2.060	11	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.8240	0.154	2	112.8240	0.024	2	112.8240	0.024	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.3530	0.000	1	111.3530	0.000	1	108.9365	11.679	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	106.5200	0.000	1	106.5200	0.000	1	108.9365	11.679	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.7990	0.000	1	111.7990	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8590	0.000	1	111.8590	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.9810	0.465	3	111.9810	0.217	3	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.5930	0.000	1	112.5930	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.5840	1.121	2	111.5840	1.258	2	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.7090	0.000	1	112.7090	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.3500	0.000	1	112.3500	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.7120	0.000	1	110.3480	1.672	3	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.6660	0.744	2	110.3480	1.672	3	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.1710	0.389	2	110.1710	0.151	2	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.7510	0.000	1	111.7510	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8320	0.000	1	111.8320	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	106.4690	0.000	1	106.4690	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	111.6373	2.719	3	111.4410	4.414	6	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.0790	0.000	1	111.4410	4.414	6	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.4170	0.000	1	111.4410	4.414	6	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.2380	0.000	1	111.4410	4.414	6	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.3970	0.681	3	109.1370	0.387	5	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.7470	0.334	2	109.1370	0.387	5	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.0550	0.000	1	109.0550	0.000	1	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	108.4200	0.479	2	108.4200	0.230	2	110.6902	3.169	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	109.1620	1.199	2	109.1620	1.438	2	109.1620	1.438	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	109.2690	0.000	1	109.2690	0.000	1	109.2690	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.6877	0.313	3	109.6343	0.077	4	109.6343	0.077	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.4740	0.000	1	109.6343	0.077	4	109.6343	0.077	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6380	0.000	1	108.6380	0.000	1	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7450	0.000	1	109.8184	0.020	8	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.1000	0.000	1	109.8184	0.020	8	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7837	0.101	6	109.8184	0.020	8	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6190	0.000	1	109.1277	0.341	4	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.9990	0.833	2	109.1277	0.341	4	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.8940	0.000	1	109.1277	0.341	4	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.3436	2.328	7	109.3436	5.418	7	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0900	0.000	1	111.0900	0.000	1	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8690	0.144	2	109.8690	0.021	2	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0702	0.176	6	110.0026	0.082	12	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5000	0.000	1	110.0026	0.082	12	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8850	0.000	1	110.0026	0.082	12	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8490	0.000	1	110.0026	0.082	12	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7920	0.385	3	110.0026	0.082	12	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.7380	0.000	1	108.7380	0.000	1	109.6861	1.201	36	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.2152	0.272	4	111.2152	0.074	4	111.2152	0.074	4	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.8100	0.000	1	110.8100	0.000	1	111.7764	2.278	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	114.8650	0.000	1	114.8650	0.000	1	111.7764	2.278	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.4677	0.461	4	111.4677	0.212	4	111.7764	2.278	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.6973	0.017	3	110.6973	0.000	3	111.7764	2.278	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	114.1260	0.000	1	114.1260	0.000	1	111.7764	2.278	10	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7170	0.000	1	109.7170	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2770	0.000	1	109.2770	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	115.8640	0.000	1	115.8640	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.6810	0.000	1	107.9920	0.193	2	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.3030	0.000	1	107.9920	0.193	2	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.8900	0.000	1	109.6395	6.122	2	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.3890	0.000	1	109.6395	6.122	2	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5690	0.000	1	110.5690	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0260	0.000	1	110.0260	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	114.2580	0.000	1	114.2580	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5360	0.000	1	110.5360	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1296	0.393	5	109.1296	0.155	5	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4020	0.000	1	110.4020	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1210	0.190	2	109.5808	0.212	10	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4458	0.403	8	109.5808	0.212	10	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4430	0.000	1	109.4430	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3070	0.000	1	110.3070	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.9570	0.239	2	109.4077	0.177	20	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4578	0.410	18	109.4077	0.177	20	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9840	0.000	1	109.9840	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	116.5640	0.000	1	113.5127	10.166	3	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	113.7710	0.000	1	113.5127	10.166	3	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2030	0.000	1	113.5127	10.166	3	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3580	0.000	1	110.3580	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4040	0.000	1	110.3900	0.257	26	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.7200	0.000	1	110.3900	0.257	26	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3340	0.447	24	110.3900	0.257	26	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4090	0.000	1	109.4090	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.3250	0.000	1	110.3250	0.000	1	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0035	0.368	4	109.9662	0.109	5	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,1|O<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8170	0.000	1	109.9662	0.109	5	110.0673	1.811	87	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.6370	0.000	1	110.6370	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1487	0.325	3	109.1487	0.106	3	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.8880	0.000	1	108.8880	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6250	0.000	1	109.6250	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8850	0.000	1	109.8850	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9575	0.124	2	109.9575	0.015	2	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.7630	0.000	1	109.7630	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2980	0.000	1	109.2980	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.0390	3.234	2	112.0390	10.461	2	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2590	0.000	1	110.2590	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7200	0.000	1	109.7240	0.091	3	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7260	0.426	2	109.7240	0.091	3	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.1000	0.000	1	110.1000	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8933	0.497	3	109.6903	0.155	6	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4840	0.000	1	109.6903	0.155	6	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6220	0.000	1	109.6903	0.155	6	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3560	0.000	1	109.6903	0.155	6	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7220	0.631	3	110.0108	0.531	5	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4440	0.837	2	110.0108	0.531	5	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8300	0.000	1	109.8300	0.000	1	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.1395	0.582	2	110.1395	0.339	2	109.9178	0.893	32	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4700	0.000	1	110.4700	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.5730	0.000	1	109.0345	0.095	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1760	0.000	1	109.0345	0.095	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1945	0.011	2	109.0345	0.095	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6050	0.000	1	109.6050	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5734	0.667	16	109.5734	0.445	16	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0910	0.000	1	110.0910	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3743	0.402	3	110.3743	0.161	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.8630	0.000	1	108.8630	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.8000	0.000	1	107.8000	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.7640	0.000	1	110.7640	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.0150	0.000	1	108.0150	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H){1|O<2>,1|S<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9940	0.233	2	108.9940	0.054	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2350	0.366	2	110.2350	0.134	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2910	0.000	1	110.2910	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.5130	0.977	2	111.5130	0.955	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.8580	0.000	1	110.8580	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0970	2.191	2	111.0970	4.799	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.4380	0.000	1	108.4380	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.6490	1.491	2	110.6490	2.222	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0710	0.000	1	111.0360	0.002	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.0010	0.000	1	111.0360	0.002	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8320	0.000	1	109.8320	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4420	0.000	1	110.4420	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1353	0.372	3	109.1353	0.138	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H){1|O<2>,1|S<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0285	0.129	2	111.0285	0.017	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6530	0.081	2	108.6530	0.006	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	118.0160	0.000	1	118.0160	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1970	0.120	2	109.1970	0.014	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9820	0.000	1	109.9820	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.4620	0.000	1	111.4620	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5623	0.254	3	110.5623	0.064	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.2680	0.000	1	111.2680	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4300	0.000	1	110.4300	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0050	0.444	4	110.0050	0.197	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.8218	2.752	6	111.8218	7.575	6	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3140	0.000	1	109.3140	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5310	0.030	2	110.5310	0.001	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.0170	0.000	1	113.9160	7.212	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	115.8150	0.000	1	113.9160	7.212	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5580	0.000	1	109.5580	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2250	0.000	1	109.7360	0.288	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1620	0.000	1	109.7360	0.288	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8210	0.000	1	109.7360	0.288	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4420	0.000	1	110.4420	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6670	0.319	3	109.7363	0.075	12	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7594	0.275	9	109.7363	0.075	12	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1580	0.193	3	109.9423	0.211	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2950	0.000	1	109.9423	0.211	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.2220	0.379	5	110.2220	0.144	5	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6340	0.000	1	109.6340	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9560	0.000	1	109.9560	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9690	0.000	1	109.9690	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.4780	0.000	1	110.4780	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6420	0.000	1	109.6420	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6980	0.000	1	108.6980	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5090	0.000	1	109.3803	0.820	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3150	0.000	1	109.3803	0.820	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3170	0.000	1	109.3803	0.820	3	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4990	0.000	1	110.4990	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0860	0.000	1	110.0860	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7900	0.000	1	109.7900	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4060	0.000	1	109.4060	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0190	0.000	1	110.0190	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.6190	0.000	1	112.6190	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.1330	0.404	2	110.1330	0.164	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0340	0.000	1	111.0340	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.3490	1.527	2	110.3490	2.333	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7860	0.579	3	109.6685	0.195	12	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6293	0.422	9	109.6685	0.195	12	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.0770	0.000	1	110.0770	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.8560	0.000	1	109.8560	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.6095	0.408	2	110.6095	0.166	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.2675	0.313	2	112.2675	0.098	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8800	0.000	1	110.3800	0.500	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8800	0.000	1	110.3800	0.500	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3297	0.230	3	109.3705	0.042	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4930	0.000	1	109.3705	0.042	4	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9810	0.000	1	109.9810	0.000	1	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4798	1.316	5	110.4798	1.732	5	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.6785	1.252	2	107.6785	1.568	2	110.0998	1.808	157	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4990	0.000	1	109.4990	0.000	1	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1590	0.000	1	109.1590	0.000	1	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3930	0.000	1	109.5910	0.481	3	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.6900	0.950	2	109.5910	0.481	3	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8650	0.000	1	109.8650	0.000	1	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.5870	0.000	1	109.5870	0.000	1	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8720	0.000	1	110.1135	1.151	2	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3550	0.000	1	110.1135	1.151	2	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1440	0.237	4	109.1440	0.056	4	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.3940	0.297	2	108.3940	0.088	2	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.7810	0.000	1	108.7810	0.000	1	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4690	0.018	2	109.4690	0.000	2	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5510	0.000	1	109.4370	0.026	2	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3230	0.000	1	109.4370	0.026	2	109.3534	0.341	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	108.9195	0.221	2	108.9195	0.049	2	108.9195	0.049	2	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.5450	0.000	1	110.5450	0.000	1	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.5950	0.000	1	110.5950	0.000	1	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.9570	0.000	1	109.8243	0.049	3	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.7580	0.266	2	109.8243	0.049	3	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.5710	0.000	1	110.1310	0.387	2	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.6910	0.000	1	110.1310	0.387	2	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.0700	0.000	1	110.0700	0.000	1	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.1020	0.000	1	109.1020	0.000	1	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.1160	0.268	4	109.1160	0.072	4	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.8500	0.673	2	109.8500	0.453	2	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.7400	0.014	2	109.7400	0.000	2	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.7940	0.000	1	110.2430	0.403	2	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.6920	0.000	1	110.2430	0.403	2	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.5880	0.000	1	109.5880	0.000	1	109.7882	0.307	20	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	110.1853	2.039	784	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	H(C[5,6]C[5,5,6,6]C[5,6]O[5])	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]O[5])	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	110.3896	3.155	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	H(C[5,6]C[5,5,6]C[5,6]O[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	108.0790	0.301	2	108.0790	0.091	2	108.0790	0.091	2	110.3896	3.155	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]HO)(O[5]C[5])(CC)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]HO)(O[5]C[5])(CC){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	110.3896	3.155	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	110.8520	0.000	1	110.8520	0.000	1	110.8520	0.000	1	110.3896	3.155	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8230	0.000	1	111.8230	0.000	1	112.0200	0.078	2	110.3896	3.155	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.2170	0.000	1	112.2170	0.000	1	112.0200	0.078	2	110.3896	3.155	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO){1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	109.9072	3.106	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	109.9072	3.106	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0595	0.416	2	109.0595	0.173	2	110.3727	5.260	3	109.9072	3.106	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CoH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CoH)(O[5]C[5])(COO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CoH)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CoH)(O[5]C[5])(COO){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	112.9990	0.000	1	112.9990	0.000	1	110.3727	5.260	3	109.9072	3.106	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3){3|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	H(C[5,6]C[5,6]2O)	109.0850	0.000	1	109.0850	0.000	1	109.4030	8.206	5	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2O)	110.8020	0.000	2	110.8020	0.000	2	109.4030	8.206	5	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){1|N<3>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]2O)	104.5760	0.000	1	104.5760	0.000	1	109.4030	8.206	5	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]2O)	111.7500	0.000	1	111.7500	0.000	1	109.4030	8.206	5	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	H(C[5,6]C[5,6]2O[5])	109.1705	0.145	2	109.1705	0.021	2	109.1705	0.021	2	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5455	0.880	2	109.5455	0.775	2	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5245	0.162	2	110.5245	0.026	2	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.9600	0.000	1	107.9600	0.000	1	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0200	0.000	1	111.0200	0.000	1	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.7820	0.000	1	111.7820	0.000	1	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.3170	0.000	1	109.3170	0.000	1	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.0730	0.000	1	109.0730	0.000	1	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.0940	0.000	1	108.0940	0.000	1	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.7250	0.000	1	108.7250	0.000	1	109.6465	1.535	11	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	106.7120	0.000	1	106.7120	0.000	1	106.9860	0.061	3	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<3>,1|C<4>,1|S<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<4>,1|S<1>,1|S<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.0520	0.000	1	107.1230	0.010	2	106.9860	0.061	3	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.1940	0.000	1	107.1230	0.010	2	106.9860	0.061	3	109.1927	2.776	25	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[3,6]C[5,6]O[5])	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	112.3150	0.000	1	112.2677	1.038	6	112.2334	0.873	7	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	112.5455	1.086	4	112.2677	1.038	6	112.2334	0.873	7	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	111.1090	0.000	1	112.2677	1.038	6	112.2334	0.873	7	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H)	H(C[5,6]C[5,3x6]C[5,6]O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[5,6]O)	112.0280	0.000	1	112.0280	0.000	1	112.2334	0.873	7	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(CN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(CN)(H){1|Br<1>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.7530	0.000	1	111.7530	0.000	1	111.5733	0.028	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.5460	0.000	1	111.5460	0.000	1	111.5733	0.028	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H){1|C<4>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.4210	0.000	1	111.4210	0.000	1	111.5733	0.028	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	116.1280	0.000	1	116.1280	0.000	1	111.2906	8.138	5	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.1750	0.054	2	109.1750	0.003	2	111.2906	8.138	5	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.9875	0.108	2	110.9875	0.012	2	111.2906	8.138	5	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	108.2615	1.783	2	108.2615	3.178	2	108.9420	2.978	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.3030	0.000	1	110.3030	0.000	1	108.9420	2.978	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Se-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.3490	0.096	2	109.3490	0.009	2	109.3490	0.009	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.8115	4.542	2	112.8115	20.627	2	112.8115	20.627	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.6635	0.288	2	109.6635	0.083	2	111.8530	2.732	12	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.9194	1.839	5	112.8498	2.734	6	111.8530	2.732	12	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.5020	0.000	1	112.8498	2.734	6	111.8530	2.732	12	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.5610	0.000	1	111.4525	0.037	4	111.8530	2.732	12	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.4845	0.261	2	111.4525	0.037	4	111.8530	2.732	12	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.2800	0.000	1	111.4525	0.037	4	111.8530	2.732	12	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2O)	106.6617	0.031	3	106.6617	0.001	3	106.6617	0.001	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]2O)	111.5150	0.000	1	111.5150	0.000	1	111.5150	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	112.6030	0.290	2	112.6030	0.084	2	111.4400	4.100	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]2O)	109.1140	0.000	1	109.1140	0.000	1	111.4400	4.100	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	112.1680	0.000	1	112.1680	0.000	1	111.6504	0.099	5	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	111.4410	0.170	2	111.5210	0.021	4	111.6504	0.099	5	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	111.6010	0.091	2	111.5210	0.021	4	111.6504	0.099	5	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	H(C[5,6]C[5,6]2O)	112.5820	0.216	2	112.5820	0.047	2	112.4329	0.093	7	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	H(C[5,6]C[5,6]2O)	112.4360	0.351	4	112.4360	0.124	4	112.4329	0.093	7	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|O<2>}	H(C[5,6]C[5,6]2O)	112.1220	0.000	1	112.1220	0.000	1	112.4329	0.093	7	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	111.0990	0.000	1	111.0990	0.000	1	109.7820	3.469	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	108.4650	0.000	1	108.4650	0.000	1	109.7820	3.469	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]2O[5])	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[6])	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.2490	0.000	1	108.2490	0.000	1	108.7183	2.604	10	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	105.6890	0.000	1	105.6890	0.000	1	108.7183	2.604	10	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.0470	0.000	1	110.0470	0.000	1	108.7183	2.604	10	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.1680	0.000	1	109.0283	1.933	7	108.7183	2.604	10	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.5640	0.000	1	109.0283	1.933	7	108.7183	2.604	10	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.4932	0.153	5	109.0283	1.933	7	108.7183	2.604	10	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.1665	2.398	2	106.1665	5.749	2	106.1665	5.749	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7520	0.000	1	110.1280	0.283	2	110.1280	0.283	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.5040	0.000	1	110.1280	0.283	2	110.1280	0.283	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	111.1728	0.456	6	111.1728	0.208	6	111.1728	0.208	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4170	0.226	2	109.4170	0.051	2	109.5950	0.121	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9510	0.000	1	109.9510	0.000	1	109.5950	0.121	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3340	0.000	1	109.0035	0.218	2	109.5015	0.432	4	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6730	0.000	1	109.0035	0.218	2	109.5015	0.432	4	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.7910	0.000	1	109.7910	0.000	1	109.5015	0.432	4	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.2080	0.000	1	110.2080	0.000	1	109.5015	0.432	4	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3570	0.058	2	109.3570	0.003	2	109.0495	1.075	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.1390	0.000	1	107.1390	0.000	1	109.0495	1.075	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1070	0.000	1	109.1070	0.000	1	109.0495	1.075	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.0500	0.000	1	109.0500	0.000	1	109.0495	1.075	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2870	0.000	1	110.2870	0.000	1	109.0495	1.075	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7900	0.000	1	109.7900	0.000	1	108.8382	0.919	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.8620	0.000	1	107.9677	0.012	3	108.8382	0.919	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.0205	0.087	2	107.9677	0.012	3	108.8382	0.919	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7540	0.000	1	109.7540	0.000	1	108.8382	0.919	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5820	0.000	1	109.5820	0.000	1	108.8382	0.919	6	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.5480	0.000	1	112.5480	0.000	1	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9270	0.000	1	108.9270	0.000	1	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3950	0.000	1	110.3950	0.000	1	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3630	0.000	1	109.3630	0.000	1	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	106.8710	0.000	1	106.8710	0.000	1	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.2390	0.000	1	108.2390	0.000	1	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6300	0.000	1	109.6300	0.000	1	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0820	0.000	1	110.1060	0.001	2	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.1300	0.000	1	110.1060	0.001	2	109.5761	2.455	9	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H)	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	109.1852	0.204	4	109.1852	0.042	4	109.1852	0.042	4	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	105.2730	0.000	1	104.7325	0.584	2	104.7325	0.584	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|S<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	104.1920	0.000	1	104.7325	0.584	2	104.7325	0.584	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.4620	0.000	1	109.4620	0.000	1	109.2005	0.137	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.9390	0.000	1	108.9390	0.000	1	109.2005	0.137	2	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.2270	0.223	2	108.5073	0.261	3	108.5073	0.261	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.0680	0.000	1	108.5073	0.261	3	108.5073	0.261	3	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	110.0893	4.065	131	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	110.2015	1.253	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O)	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.2015	1.253	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	H(C[5,6]C[5,6]2O)	111.5005	0.081	2	111.5005	0.007	2	111.5005	0.007	2	110.2015	1.253	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	110.2015	1.253	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O[5])	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.2015	1.253	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	110.2015	1.253	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	110.2015	1.253	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(CNO)(NCH)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(CNO)(NCH){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.9620	0.000	1	107.9620	0.000	1	107.9370	0.001	2	109.0525	3.147	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(COO)(NCH)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(COO)(NCH){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.9120	0.000	1	107.9120	0.000	1	107.9370	0.001	2	109.0525	3.147	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO){1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	109.0525	3.147	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO){1|S<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.0525	3.147	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.8400	0.000	1	110.8400	0.000	1	110.9950	0.048	2	109.0525	3.147	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1500	0.000	1	111.1500	0.000	1	110.9950	0.048	2	109.0525	3.147	6	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.6750	0.000	1	110.6750	0.000	1	110.2700	0.328	2	109.8039	2.086	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.8650	0.000	1	109.8650	0.000	1	110.2700	0.328	2	109.8039	2.086	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	109.8039	2.086	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	111.5870	0.136	2	111.5870	0.018	2	111.5870	0.018	2	109.8039	2.086	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	109.8039	2.086	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.9410	0.269	2	107.9410	0.072	2	107.9410	0.072	2	109.8039	2.086	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,8|H<1>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[3,6]C[5,6]O[5])	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	H(C[5,6]C[4,5,6]C[5,6]O)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[4,5,6]C[5,6]O)	111.2710	0.121	3	111.2710	0.015	3	111.2710	0.015	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6,6]C[5,6]O)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]O)	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.4870	0.000	1	109.4870	0.000	1	110.0641	1.216	7	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	108.8350	0.274	2	108.8350	0.075	2	110.0641	1.216	7	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.7450	0.000	1	109.7450	0.000	1	110.0641	1.216	7	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	111.1823	0.081	3	111.1823	0.007	3	110.0641	1.216	7	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[5,5,6]C[5,6]O[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){2|O<2>,6|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O[6])	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.0370	0.163	2	108.9447	0.039	3	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	108.7600	0.000	1	108.9447	0.039	3	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	108.0620	0.000	1	108.0620	0.000	1	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.9867	0.342	3	109.9867	0.117	3	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.0455	1.126	2	109.0455	1.269	2	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.1970	0.000	1	109.1970	0.000	1	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.6195	0.019	2	112.6195	0.000	2	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	112.1060	0.000	1	112.1060	0.000	1	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.3740	0.000	1	111.0818	0.035	5	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	111.0088	0.105	4	111.0818	0.035	5	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.3710	0.215	3	109.8394	0.436	5	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.5420	0.089	2	109.8394	0.436	5	110.1780	1.656	23	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.2600	0.000	1	110.2600	0.000	1	110.2720	0.078	6	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.1270	0.044	2	110.1270	0.002	2	110.2720	0.078	6	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.3727	0.396	3	110.3727	0.157	3	110.2720	0.078	6	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H){1|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]2O)	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]2O)	110.8670	0.000	1	110.8670	0.000	1	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	111.5620	0.078	2	110.7479	0.331	7	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	110.4222	0.176	5	110.7479	0.331	7	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	109.0020	0.000	1	109.0020	0.000	1	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	109.7050	0.000	1	109.9808	0.693	5	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	109.7610	0.416	2	109.9808	0.693	5	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2O)	110.3385	1.473	2	109.9808	0.693	5	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|H<1>}	H(C[5,6]C[5,6]2O)	110.9610	0.000	1	110.9610	0.000	1	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]2O)	109.5720	0.000	1	109.5720	0.000	1	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	108.7850	0.000	1	108.7850	0.000	1	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O)	108.7610	0.000	1	108.7610	0.000	1	110.1715	0.824	18	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	106.9310	0.000	1	106.9310	0.000	1	108.8933	6.822	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]2O)	111.8580	0.000	1	111.8580	0.000	1	108.8933	6.822	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	107.8910	0.000	1	107.8910	0.000	1	108.8933	6.822	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H){2|H<1>,2|O<1>,8|C<4>}	H(C[5,6]C[5,6]2O[5])	108.1245	0.237	2	108.1245	0.056	2	108.1245	0.056	2	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]2O[5])	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	111.0440	0.000	1	111.0440	0.000	1	111.0215	0.001	2	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	110.9990	0.000	1	110.9990	0.000	1	111.0215	0.001	2	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O[5])	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H){3|H<1>,7|C<4>}	H(C[5,6]C[5,6]2O[5])	110.1100	0.622	2	110.1100	0.387	2	109.2995	0.289	11	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.2655	0.191	4	109.2655	0.036	4	109.2995	0.289	11	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|S<3>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]2O[5])	109.0024	0.399	5	109.0024	0.160	5	109.2995	0.289	11	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,6]2O[5])	109.3180	0.181	2	109.3180	0.033	2	109.3180	0.033	2	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,6]C[5,6]2O[5])	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]2O[6])	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.8220	0.000	1	110.0510	0.105	2	110.3083	0.202	8	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.2800	0.000	1	110.0510	0.105	2	110.3083	0.202	8	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.5190	0.000	1	109.5190	0.000	1	110.3083	0.202	8	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.5690	0.233	5	110.5690	0.054	5	110.3083	0.202	8	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	108.2400	0.000	1	108.2400	0.000	1	110.4667	1.241	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.4520	0.000	1	111.1310	0.378	3	110.4667	1.241	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.4705	0.252	2	111.1310	0.378	3	110.4667	1.241	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.2250	0.000	2	109.2250	0.000	2	110.4667	1.241	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.0124	0.554	8	111.0124	0.307	8	110.4667	1.241	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	108.8180	0.000	1	108.8180	0.000	1	110.4667	1.241	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.4340	0.000	1	112.4340	0.000	1	112.4340	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5,6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5,6])	109.9070	0.123	3	109.9070	0.015	3	109.9070	0.015	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.9620	0.000	1	108.0976	0.065	5	108.0976	0.065	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.1315	0.281	4	108.0976	0.065	5	108.0976	0.065	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.2760	0.000	1	109.2760	0.000	1	109.5970	0.206	2	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9180	0.000	1	109.9180	0.000	1	109.5970	0.206	2	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.6210	0.000	1	110.6210	0.000	1	111.0002	0.054	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.0870	0.000	1	111.0870	0.000	1	111.0002	0.054	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	111.0705	0.183	2	111.0705	0.034	2	111.0002	0.054	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.1520	0.000	1	111.1520	0.000	1	111.0002	0.054	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6120	0.000	1	108.6120	0.000	1	109.9975	1.644	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.7780	0.000	1	109.1353	0.096	3	109.9975	1.644	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3140	0.000	2	109.1353	0.096	3	109.9975	1.644	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2650	0.000	1	110.3742	1.913	10	109.9975	1.644	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4704	0.490	5	110.3742	1.913	10	109.9975	1.644	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.7812	1.004	4	110.3742	1.913	10	109.9975	1.644	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.2030	0.000	1	110.2030	0.000	1	109.9975	1.644	15	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6465	0.436	2	108.6465	0.190	2	109.1483	0.186	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6470	0.000	1	109.6470	0.000	1	109.1483	0.186	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.0080	0.000	1	109.0687	0.022	3	109.1483	0.186	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2390	0.000	1	109.0687	0.022	3	109.1483	0.186	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.9590	0.000	1	109.0687	0.022	3	109.1483	0.186	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.0140	0.348	2	109.0140	0.121	2	109.1483	0.186	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6545	0.016	2	109.6545	0.000	2	109.1483	0.186	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.8350	0.059	2	108.8350	0.004	2	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3790	0.000	1	109.3790	0.000	1	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1100	0.000	1	109.1100	0.000	1	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5360	0.024	2	108.5360	0.001	2	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9890	0.000	1	109.9890	0.000	1	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	91.4333	0.000	1	91.4333	0.000	1	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.3190	0.000	1	109.3190	0.000	1	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.7700	0.000	1	108.7700	0.000	1	107.2742	31.176	10	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.4700	0.000	1	108.4700	0.000	1	109.4390	2.613	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5420	0.000	1	108.5420	0.000	1	109.4390	2.613	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.3050	0.000	1	111.3050	0.000	1	109.4390	2.613	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	108.2260	0.000	1	108.2260	0.000	1	108.7747	0.229	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|S<2>,7|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	109.0490	0.075	2	109.0490	0.006	2	108.7747	0.229	3	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.3470	0.000	1	109.3470	0.000	1	109.4802	1.274	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.5240	0.137	2	108.5240	0.019	2	109.4802	1.274	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|Si<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[6,6]O[5])	111.2570	0.000	1	111.2570	0.000	1	109.4802	1.274	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.7490	0.000	1	109.7490	0.000	1	109.4802	1.274	5	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	109.7571	3.400	180	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5])	H(C[5,6]C[5,3x6]C[5,6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5]){2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6]O[5])	109.3330	0.036	3	109.3330	0.001	3	109.3330	0.001	3	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	110.0143	0.490	3	109.9333	0.186	4	109.4385	0.700	6	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	109.6900	0.000	1	109.9333	0.186	4	109.4385	0.700	6	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6,6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]O)	108.4490	0.059	2	108.4490	0.004	2	109.4385	0.700	6	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	H(C[5,6]C[5,6]2O)	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5])	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	120.7960	0.000	1	120.7960	0.000	1	120.7960	0.000	1	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2O[5])	108.4600	0.000	1	108.4600	0.000	1	108.6335	0.060	2	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[5])	108.8070	0.000	1	108.8070	0.000	1	108.6335	0.060	2	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H){2|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2O[6])	109.7120	0.000	2	109.7120	0.000	2	109.7120	0.000	2	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5]){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.4200	0.000	1	109.4200	0.000	1	109.2980	0.030	2	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1760	0.000	1	109.1760	0.000	1	109.2980	0.030	2	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	109.8800	6.842	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	H(C[5,6]C[5,5,6]C[5,6]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O[6])	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	109.8953	0.880	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.8953	0.880	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	109.8953	0.880	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[4]-4:C[6]-4:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	109.8953	0.880	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.2600	0.000	1	109.2600	0.000	1	109.5444	2.086	7	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O)	109.5918	1.576	6	109.5918	2.484	6	109.5444	2.086	7	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]O[5])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]O[5])	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	112.2010	0.000	1	111.7867	0.129	3	110.7657	0.746	14	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	111.5795	0.026	2	111.7867	0.129	3	110.7657	0.746	14	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	110.4472	0.115	5	110.4472	0.013	5	110.7657	0.746	14	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	109.7670	0.368	2	110.5207	1.077	6	110.7657	0.746	14	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	111.4610	0.146	2	110.5207	1.077	6	110.7657	0.746	14	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2O)	110.3340	1.502	2	110.5207	1.077	6	110.7657	0.746	14	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6,6]C[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]2O[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6,6]C[5]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2O[5])	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2O[6])	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH){1|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|I<1>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.3360	0.150	2	110.3360	0.022	2	110.3360	0.022	2	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	112.1850	1.481	2	112.1850	2.192	2	112.1850	2.192	2	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.9585	0.237	2	107.9585	0.056	2	107.9585	0.056	2	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.7677	0.514	3	109.7677	0.264	3	109.5548	0.587	12	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.0665	0.012	2	109.0665	0.000	2	109.5548	0.587	12	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3){2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.9690	0.000	1	109.9690	0.000	1	109.5548	0.587	12	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|Si<4>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.5330	0.000	1	107.5330	0.000	1	109.5548	0.587	12	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9440	0.275	5	109.9440	0.076	5	109.5548	0.587	12	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	110.3880	1.645	2	110.3880	2.705	2	109.5930	3.249	3	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.0030	0.000	1	108.0030	0.000	1	109.5930	3.249	3	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,2|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.2590	0.000	1	107.0330	0.066	3	107.0330	0.066	3	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	107.0870	0.000	1	107.0330	0.066	3	107.0330	0.066	3	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	106.7530	0.000	1	107.0330	0.066	3	107.0330	0.066	3	109.7475	2.053	51	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	108.9990	0.000	2	108.9990	0.000	2	109.2792	0.753	5	109.2792	0.753	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	110.8200	0.000	1	110.8200	0.000	1	109.2792	0.753	5	109.2792	0.753	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	108.7890	0.000	2	108.7890	0.000	2	109.2792	0.753	5	109.2792	0.753	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:3:4:3:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	110.0200	0.492	2	110.0200	0.242	2	110.0200	0.242	2	110.0730	1.121	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[6a])	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	110.0730	1.121	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	110.0730	1.121	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.0730	1.121	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7215	0.237	2	108.7215	0.056	2	108.7215	0.056	2	108.7215	0.056	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H){5|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO){1|C<2>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6a])	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H){1|C<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]2C)	111.3730	0.000	1	111.3730	0.000	1	111.3730	0.000	1	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[5])	109.7225	2.017	2	109.7225	4.070	2	109.7225	4.070	2	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[6a])	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5665	0.315	2	109.3027	0.258	3	108.7397	0.645	6	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7750	0.000	1	109.3027	0.258	3	108.7397	0.645	6	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5010	0.419	2	108.5010	0.175	2	108.7397	0.645	6	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.5280	0.000	1	107.5280	0.000	1	108.7397	0.645	6	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2900	0.000	1	108.2900	0.000	1	109.0798	0.533	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1710	0.000	1	110.1710	0.000	1	109.0798	0.533	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4130	0.000	1	109.0665	0.240	2	109.0798	0.533	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7200	0.000	1	109.0665	0.240	2	109.0798	0.533	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8050	0.000	1	108.8050	0.000	1	109.0798	0.533	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7650	0.000	1	108.7650	0.000	1	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7330	0.000	1	109.7330	0.000	1	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2670	0.000	1	108.5144	1.762	7	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6940	0.000	1	108.5144	1.762	7	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.4450	0.000	1	108.5144	1.762	7	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1000	0.338	2	108.5144	1.762	7	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4975	0.759	2	108.5144	1.762	7	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0810	0.000	1	107.0810	0.000	1	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7210	0.000	1	107.7210	0.000	1	108.4455	1.475	11	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6250	0.000	1	108.1202	0.161	4	108.0518	0.144	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.2853	0.279	3	108.1202	0.161	4	108.0518	0.144	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7780	0.000	1	107.7780	0.000	1	108.0518	0.144	5	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7140	0.136	2	110.7140	0.018	2	109.6139	0.660	7	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0875	0.494	2	109.1738	0.138	5	109.6139	0.660	7	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2313	0.376	3	109.1738	0.138	5	109.6139	0.660	7	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5565	0.050	2	109.5565	0.003	2	109.5565	0.003	2	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9560	0.320	2	108.9560	0.102	2	108.9560	0.102	2	108.9365	1.098	45	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:S-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	107.0895	0.020	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1900	0.000	1	107.1900	0.000	1	107.1900	0.000	1	107.0895	0.020	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	107.7968	0.319	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.5577	0.367	3	107.5577	0.135	3	107.5577	0.135	3	107.7968	0.319	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[5,5]C[5,6]N[6])	111.2635	0.561	4	111.2635	0.314	4	111.2635	0.314	4	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	H(C[5,6]C[5,6]2C[5])	109.3820	0.000	1	109.3820	0.000	1	109.4760	1.268	3	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	H(C[5,6]C[5,6]2C[5])	110.6460	0.000	1	110.6460	0.000	1	109.4760	1.268	3	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	H(C[5,6]C[5,6]2C[5])	108.4000	0.000	1	108.4000	0.000	1	109.4760	1.268	3	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	H(C[5,6]C[5,6]2N[5a])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]2N[5a])	109.4630	0.000	1	109.4630	0.000	1	109.4295	0.002	2	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6]2N[5a])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2N[5a])	109.3960	0.000	1	109.3960	0.000	1	109.4295	0.002	2	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2720	0.000	1	109.2720	0.000	1	108.9900	0.842	8	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0860	0.000	1	107.0860	0.000	1	108.9900	0.842	8	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9460	0.000	1	108.8000	0.018	3	108.9900	0.842	8	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7270	0.057	2	108.8000	0.018	3	108.9900	0.842	8	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1850	0.000	1	109.1850	0.000	1	108.9900	0.842	8	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.9885	0.108	2	109.9885	0.012	2	108.9900	0.842	8	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7620	0.000	1	107.1455	0.760	2	107.1455	0.760	2	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5290	0.000	1	107.1455	0.760	2	107.1455	0.760	2	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7420	0.442	4	107.7838	0.155	5	107.7838	0.155	5	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9510	0.000	1	107.7838	0.155	5	107.7838	0.155	5	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.9145	1.535	4	111.9145	2.356	4	111.9145	2.356	4	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5490	0.337	2	109.2788	0.136	4	109.5405	0.400	6	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0085	0.039	2	109.2788	0.136	4	109.5405	0.400	6	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4440	0.000	1	109.4440	0.000	1	109.5405	0.400	6	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6840	0.000	1	110.6840	0.000	1	109.5405	0.400	6	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.7600	0.000	2	108.7600	0.000	2	108.7600	0.000	2	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3156	2.523	39	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	108.1274	7.746	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	105.8160	1.700	2	105.8160	2.890	2	105.8160	2.890	2	108.1274	7.746	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	H(C[5,6]C[5,6]2C[6])	111.5905	1.281	2	111.5905	1.640	2	111.5905	1.640	2	108.1274	7.746	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2N[5])	109.6100	0.000	1	109.6100	0.000	1	109.6100	0.000	1	108.1274	7.746	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5735	0.152	2	107.1793	6.959	6	107.1793	6.959	6	108.1274	7.746	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4823	0.265	4	107.1793	6.959	6	107.1793	6.959	6	108.1274	7.746	12	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	111.3935	33.366	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	111.3935	33.366	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0985	0.260	2	106.0985	0.067	2	106.0985	0.067	2	107.5585	2.882	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0185	0.231	2	109.0185	0.053	2	109.0185	0.053	2	107.5585	2.882	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3180	0.000	1	109.3180	0.000	1	110.0145	0.970	2	110.0145	0.970	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7110	0.000	1	110.7110	0.000	1	110.0145	0.970	2	110.0145	0.970	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:2:3:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H)	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]2C)	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	106.1790	0.000	1	106.1790	0.000	1	106.1790	0.000	1	108.5090	1.827	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2N[5])	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	108.5090	1.827	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H){1|O<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	108.5090	1.827	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	108.5090	1.827	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0297	0.654	3	109.0297	0.428	3	109.0297	0.428	3	108.5090	1.827	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	108.7795	1.389	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	108.7795	1.389	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	110.5640	0.000	1	109.9840	0.673	2	109.4663	1.140	3	109.4663	1.140	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	109.4040	0.000	1	109.9840	0.673	2	109.4663	1.140	3	109.4663	1.140	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.4310	0.000	1	108.4310	0.000	1	109.4663	1.140	3	109.4663	1.140	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2N[5])	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	108.5524	4.345	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.5524	4.345	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,2|O<1>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	108.5524	4.345	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7200	0.000	1	106.7200	0.000	1	106.7200	0.000	1	108.5524	4.345	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]N[5])	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	108.5524	4.345	5	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	108.4896	0.187	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0635	0.238	2	109.0635	0.057	2	108.5743	0.102	12	108.4896	0.187	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5834	0.261	5	108.5834	0.068	5	108.5743	0.102	12	108.4896	0.187	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4940	0.000	1	108.3696	0.026	5	108.5743	0.102	12	108.4896	0.187	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3385	0.166	4	108.3696	0.026	5	108.5743	0.102	12	108.4896	0.187	13	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]3)	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H){1|P<4>,3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]3)	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[5])	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2C[6a])	109.4765	0.142	2	109.4765	0.020	2	109.4765	0.020	2	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1720	0.000	1	109.1720	0.000	1	109.4202	0.147	14	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4393	0.392	13	109.4393	0.153	13	109.4202	0.147	14	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0920	2.585	2	107.0920	6.683	2	107.0920	6.683	2	109.1671	1.040	22	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H){2|O<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	109.6555	6.266	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2700	0.000	1	108.2700	0.000	1	108.9790	1.005	2	109.6555	6.266	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6880	0.000	1	109.6880	0.000	1	108.9790	1.005	2	109.6555	6.266	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	109.6555	6.266	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7775	0.036	2	107.7775	0.001	2	107.7775	0.001	2	107.7107	0.009	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7020	0.000	1	107.6440	0.007	2	107.6440	0.007	2	107.7107	0.009	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5860	0.000	1	107.6440	0.007	2	107.6440	0.007	2	107.7107	0.009	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.0412	0.277	4	110.0412	0.077	4	110.0412	0.077	4	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.1935	0.452	2	105.1935	0.204	2	105.1935	0.204	2	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.1170	0.454	2	108.1170	0.206	2	108.1170	0.206	2	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	109.1600	0.585	2	109.1600	0.343	2	108.6037	0.531	4	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H){2|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.0475	0.114	2	108.0475	0.013	2	108.6037	0.531	4	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	107.3200	0.000	2	107.3200	0.000	2	107.3200	0.000	2	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	111.1890	0.000	1	111.1890	0.000	1	109.8110	3.798	2	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.4330	0.000	1	108.4330	0.000	1	109.8110	3.798	2	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9450	0.000	1	107.9450	0.000	1	106.8720	2.303	2	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.7990	0.000	1	105.7990	0.000	1	106.8720	2.303	2	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.0147	0.379	3	110.0147	0.143	3	110.0147	0.143	3	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.6100	0.000	1	105.6100	0.000	1	107.2648	2.298	6	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7973	1.457	3	107.7973	2.124	3	107.2648	2.298	6	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2935	1.911	2	107.2935	3.653	2	107.2648	2.298	6	108.3088	2.830	29	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	108.5410	2.436	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H){1|N<3>,2|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.1075	0.026	2	106.1075	0.001	2	106.1075	0.001	2	108.5410	2.436	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	108.5410	2.436	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H){4|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0890	0.000	1	109.0890	0.000	1	109.1555	0.689	6	108.5410	2.436	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.1688	0.928	5	109.1688	0.860	5	109.1555	0.689	6	108.5410	2.436	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.8985	0.381	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	108.8985	0.381	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	112.1550	0.000	1	112.1550	0.000	1	112.5687	0.089	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	112.7067	0.137	3	112.7067	0.019	3	112.5687	0.089	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H)	H(C[5,6]C[4,6]C[5,6]N[5])	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[4,6]C[5,6]N[5])	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCN)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.5830	0.000	1	108.5830	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H){1|O<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2{1|O<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.8490	0.000	1	111.8490	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0470	0.000	2	109.0470	0.000	2	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(COO)(H){4|Cl<1>,1|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2{4|Cl<1>,1|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.7710	0.000	1	109.7710	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6343	0.865	4	109.6343	0.748	4	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.0288	0.895	4	110.0288	0.801	4	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8265	0.677	2	108.8265	0.458	2	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<4>,1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6830	0.000	1	109.6830	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CNiO)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.1100	0.000	1	110.1100	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.8973	3.445	3	108.4020	8.507	7	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	112.7080	0.000	1	108.4020	8.507	7	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Pd<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4730	0.000	1	108.4020	8.507	7	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9705	0.684	2	108.4020	8.507	7	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H){1|S<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.4730	0.000	1	109.4730	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.4730	0.000	1	110.4730	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7883	0.796	4	108.7883	0.634	4	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.8828	0.893	4	107.8828	0.798	4	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5,5]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3550	0.000	1	108.3550	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CN[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.0090	0.000	1	111.0090	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7675	1.293	2	108.7675	1.673	2	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.5605	0.313	2	108.5605	0.098	2	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5a]O)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4800	0.000	1	108.4800	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.0280	0.000	1	111.0280	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CCO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.0640	0.000	1	108.0640	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNO)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1790	0.000	1	109.1790	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(CNS)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2333	0.303	3	108.2333	0.092	3	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HH)(CCO)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.8530	0.000	1	107.8530	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7110	0.000	1	107.7110	0.000	1	108.9974	2.165	49	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	108.4370	0.000	1	108.2970	0.039	2	108.2970	0.039	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	108.1570	0.000	1	108.2970	0.039	2	108.2970	0.039	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.3000	0.000	1	109.3000	0.000	1	109.1555	0.042	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.0110	0.000	1	109.0110	0.000	1	109.1555	0.042	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.9320	0.215	2	106.9320	0.046	2	106.9320	0.046	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7590	0.000	1	108.7590	0.000	1	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.3900	0.000	1	108.3900	0.000	1	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.7005	0.071	2	105.5670	0.056	3	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.3000	0.000	1	105.5670	0.056	3	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2{1|O<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.3163	0.763	3	107.3163	0.583	3	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.3400	0.000	1	108.3400	0.000	1	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	110.2960	0.000	1	108.8683	1.871	3	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1545	0.828	2	108.8683	1.871	3	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.7690	0.000	1	106.7690	0.000	1	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.0230	0.000	1	108.0230	0.000	1	107.5383	1.986	14	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(NNO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N)	107.0530	0.000	1	107.0530	0.000	1	108.7162	0.954	16	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N)	106.9775	0.169	2	107.8570	0.679	5	108.7162	0.954	16	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.4433	0.234	3	107.8570	0.679	5	108.7162	0.954	16	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NOO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NOO)(H){1|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.1893	0.123	8	109.1893	0.015	8	108.7162	0.954	16	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.1420	0.000	1	109.1420	0.000	1	108.7162	0.954	16	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]H)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	110.4650	0.000	1	110.4650	0.000	1	108.7162	0.954	16	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H){2|N<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[5a])	106.9790	0.412	2	106.9790	0.169	2	106.9790	0.169	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H){1|Pd<4>,1|N<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	105.7150	0.529	2	105.7150	0.280	2	105.7150	0.280	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.1320	0.322	2	110.1320	0.104	2	110.8716	0.538	5	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.3647	0.334	3	111.3647	0.111	3	110.8716	0.538	5	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.7450	0.000	1	111.0400	0.174	2	111.0400	0.174	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.3350	0.000	1	111.0400	0.174	2	111.0400	0.174	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[5])	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.7585	0.094	2	110.7585	0.009	2	110.8537	0.032	3	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.0440	0.000	1	111.0440	0.000	1	110.8537	0.032	3	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	117.4000	0.000	1	117.4000	0.000	1	113.2420	7.700	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8560	0.156	3	111.8560	0.024	3	113.2420	7.700	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7385	0.176	2	111.7385	0.031	2	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.0540	0.000	2	114.0540	0.000	2	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.9910	0.000	1	111.9910	0.000	1	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2610	0.000	1	112.2610	0.000	1	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.9700	0.000	1	112.9700	0.000	1	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7740	0.000	1	111.7740	0.000	1	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|N<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8970	0.375	2	111.8970	0.140	2	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5178	0.337	4	111.5178	0.114	4	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	112.2090	0.000	1	112.2090	0.000	1	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.4470	0.000	1	114.4470	0.000	1	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2740	0.000	1	112.2740	0.000	1	112.3162	0.969	17	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.5310	0.000	1	111.5310	0.000	1	111.6770	0.043	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.8230	0.000	1	111.8230	0.000	1	111.6770	0.043	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4650	0.000	1	111.4453	0.014	4	111.4453	0.014	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6040	0.000	1	111.4453	0.014	4	111.4453	0.014	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3390	0.000	1	111.4453	0.014	4	111.4453	0.014	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3730	0.000	1	111.4453	0.014	4	111.4453	0.014	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2020	0.000	1	111.3647	0.557	3	111.3647	0.557	3	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4460	1.037	2	111.3647	0.557	3	111.3647	0.557	3	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.8440	0.092	2	111.8440	0.008	2	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1900	0.035	2	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4035	0.134	4	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.3075	1.134	4	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8090	0.000	1	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5360	0.327	3	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6880	0.241	3	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5990	0.000	1	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7300	0.194	2	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6570	0.000	1	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.1280	0.000	1	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2060	0.000	1	111.9024	0.686	23	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7280	0.000	1	111.7280	0.000	1	111.8912	0.605	26	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.1520	0.000	1	112.1520	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.1970	0.000	1	112.1970	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4010	0.000	1	111.4010	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.6060	0.000	1	112.6060	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.0017	2.417	3	113.5880	4.579	4	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3470	0.000	1	113.5880	4.579	4	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7030	0.000	1	111.7030	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7690	0.000	1	111.7690	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.9050	0.000	1	115.0725	9.396	2	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	117.2400	0.000	1	115.0725	9.396	2	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.8540	0.000	1	115.8540	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	116.5230	0.000	1	116.5230	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3670	0.250	2	112.3670	0.063	2	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3480	0.000	1	112.3480	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.2940	0.000	1	114.2940	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.3080	0.000	1	113.3080	0.000	1	113.3361	3.436	19	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	111.8970	0.000	1	111.8970	0.000	1	113.0730	2.766	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	114.2490	0.000	1	114.2490	0.000	1	113.0730	2.766	2	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.8520	0.000	1	111.8520	0.000	1	111.8520	0.000	1	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.5180	0.000	1	112.5180	0.000	1	112.5022	0.028	5	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.3260	0.000	1	112.3260	0.000	1	112.5022	0.028	5	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.6470	0.147	2	112.6470	0.022	2	112.5022	0.028	5	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.3730	0.000	1	112.3730	0.000	1	112.5022	0.028	5	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.6897	0.055	3	111.6860	0.002	4	111.6860	0.002	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.6750	0.000	1	111.6860	0.002	4	111.6860	0.002	4	110.5291	5.290	195	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	104.4360	0.000	1	104.4360	0.000	1	104.4360	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8470	0.000	1	108.8470	0.000	1	109.3327	0.666	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.8760	0.000	1	108.8760	0.000	1	109.3327	0.666	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H){1|C<4>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.2750	0.000	1	110.2750	0.000	1	109.3327	0.666	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.3210	0.000	1	109.3210	0.000	1	109.3210	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.7435	0.243	2	108.7435	0.059	2	110.2972	10.494	5	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	116.0850	0.000	1	116.0850	0.000	1	110.2972	10.494	5	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.9570	0.007	2	108.9570	0.000	2	110.2972	10.494	5	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	110.8750	3.035	2	110.8750	9.211	2	109.6323	9.238	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.1470	0.000	1	107.1470	0.000	1	109.6323	9.238	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Se-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]Se)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Se)	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]N[6])	107.7570	0.000	1	107.7570	0.000	1	107.7570	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C)	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.3305	0.057	2	111.3305	0.003	2	111.3305	0.003	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]2C)	105.1243	0.758	6	105.1243	0.575	6	105.1243	0.575	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	112.5677	0.158	4	112.5677	0.025	4	112.5677	0.025	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.9490	0.000	1	107.9490	0.000	1	109.8695	7.377	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	111.7900	0.000	1	111.7900	0.000	1	109.8695	7.377	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[6])	115.4015	3.985	2	115.4015	15.877	2	115.4015	15.877	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[6])	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.6575	0.103	2	108.6575	0.011	2	108.6540	0.005	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.6470	0.000	1	108.6470	0.000	1	108.6540	0.005	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H)	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H)	H(C[5,6]C[5,6]2N)	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H){1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2N)	109.3787	0.626	4	109.3787	0.391	4	109.3787	0.391	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,6]2N[5])	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2N[5])	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2N[5a])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]2N[5a])	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2N[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2N[6])	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3390	0.000	1	107.9475	0.307	2	108.2795	1.247	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5560	0.000	1	107.9475	0.307	2	108.2795	1.247	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8350	0.000	1	109.8350	0.000	1	108.2795	1.247	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3880	0.000	1	107.3880	0.000	1	108.2795	1.247	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2970	0.000	1	107.2970	0.000	1	107.6955	0.318	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0940	0.000	1	108.0940	0.000	1	107.6955	0.318	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.2310	0.279	2	111.2310	0.078	2	111.2523	0.040	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.2950	0.000	1	111.2950	0.000	1	111.2523	0.040	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.9075	0.298	2	107.9075	0.089	2	107.9803	2.869	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.4550	0.000	1	107.4550	0.000	1	107.9803	2.869	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	107.3480	0.000	1	107.3480	0.000	1	107.9803	2.869	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.1540	0.000	1	111.1540	0.000	1	107.9803	2.869	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	106.1100	0.000	1	106.1100	0.000	1	107.9803	2.869	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4900	0.000	1	111.0827	0.660	6	111.1804	0.616	7	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8260	0.910	4	111.0827	0.660	6	111.1804	0.616	7	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7020	0.000	1	111.0827	0.660	6	111.1804	0.616	7	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7670	0.000	1	111.7670	0.000	1	111.1804	0.616	7	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3515	0.175	2	112.3515	0.031	2	111.4119	0.814	12	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6294	0.861	5	110.8007	0.769	6	111.4119	0.814	12	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6570	0.000	1	110.8007	0.769	6	111.4119	0.814	12	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0880	0.000	1	111.8590	0.090	4	111.4119	0.814	12	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.1150	0.000	1	111.8590	0.090	4	111.4119	0.814	12	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6165	0.187	2	111.8590	0.090	4	111.4119	0.814	12	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8460	0.000	1	111.8460	0.000	1	112.2127	0.145	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5355	0.114	2	112.3350	0.127	3	112.2127	0.145	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.9340	0.000	1	112.3350	0.127	3	112.2127	0.145	4	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.1610	0.000	1	110.1610	0.000	1	109.6372	2.219	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.2510	0.000	1	110.4223	0.165	3	109.6372	2.219	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.5080	0.535	2	110.4223	0.165	3	109.6372	2.219	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.6980	0.000	1	106.6980	0.000	1	109.6372	2.219	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6970	0.000	1	109.6970	0.000	1	109.6372	2.219	6	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1220	0.123	2	107.8437	0.240	3	107.8437	0.240	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2870	0.000	1	107.8437	0.240	3	107.8437	0.240	3	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|O<2>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.6660	0.000	1	111.6660	0.000	1	111.8560	0.305	7	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.0348	0.228	4	112.0348	0.052	4	111.8560	0.305	7	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.5935	1.170	2	111.5935	1.370	2	111.8560	0.305	7	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7150	0.000	1	108.7150	0.000	1	110.0565	3.169	10	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	114.9500	0.000	1	114.9500	0.000	1	110.0565	3.169	10	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.1580	0.000	1	109.1580	0.000	1	110.0565	3.169	10	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9550	0.000	1	109.6774	0.161	7	110.0565	3.169	10	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3270	0.000	1	109.6774	0.161	7	110.0565	3.169	10	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.6920	0.437	5	109.6774	0.161	7	110.0565	3.169	10	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3730	3.906	2	108.3730	15.257	2	108.3730	15.257	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.4460	0.000	1	107.4460	0.000	1	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6980	0.000	1	108.6980	0.000	1	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.9320	0.000	1	110.9320	0.000	1	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9770	0.000	1	109.9855	0.000	2	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9940	0.000	1	109.9855	0.000	2	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.9460	0.000	1	109.9460	0.000	1	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.2440	0.000	1	111.2440	0.000	1	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	107.5770	0.000	1	107.5770	0.000	1	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3130	0.000	1	109.3130	0.000	1	109.4586	1.793	9	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7780	0.000	1	104.8325	31.134	2	104.8325	31.134	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|S<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	100.8870	0.000	1	104.8325	31.134	2	104.8325	31.134	2	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	109.7416	5.828	128	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0000	0.098	2	108.0000	0.010	2	108.0000	0.010	2	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0640	0.216	2	112.0640	0.047	2	112.0640	0.047	2	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9580	0.000	1	107.9580	0.000	1	107.3844	0.933	7	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<2>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8880	0.000	1	107.9263	0.043	4	107.3844	0.933	7	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8865	0.330	2	107.9263	0.043	4	107.3844	0.933	7	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0440	0.000	1	107.9263	0.043	4	107.3844	0.933	7	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3410	0.000	1	106.3410	0.000	1	107.3844	0.933	7	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6870	0.000	1	105.6870	0.000	1	107.3844	0.933	7	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC){1|O<1>,1|S<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	109.0228	5.194	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	H(C[5,6]C[5,6]2N[5a])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	H(C[5,6]C[5,6]2N[5a])	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	108.5195	0.572	2	108.4740	0.170	3	108.4740	0.170	3	109.0620	2.472	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C)	108.3830	0.000	1	108.4740	0.170	3	108.4740	0.170	3	109.0620	2.472	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	109.0620	2.472	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	109.0620	2.472	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5040	0.000	1	108.6227	6.227	3	108.6227	6.227	3	109.0620	2.472	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1820	0.024	2	108.6227	6.227	3	108.6227	6.227	3	109.0620	2.472	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	109.0620	2.472	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H)	H(C[5,6]C[3x5,6]C[5,6]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H){2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	H(C[5,6]C[3x5,6]C[5,6]C)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	H(C[5,6]C[3x5,6]C[5,6]N)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[5,6]C[3x5,6]C[5,6]N)	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[3x6]C[5,6]C[5])	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[3x6]C[5,6]C[5])	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:B-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]B)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H){2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.6030	2.019	2	108.6030	4.078	2	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H){1|C<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.9740	0.000	1	109.9740	0.000	1	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(COO)(H){4|Cl<1>,1|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(COO)(H){4|Cl<1>,1|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1731	1.085	14	108.1731	1.176	14	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.4670	0.000	1	110.4670	0.000	1	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.4880	0.585	2	109.4880	0.343	2	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H){1|C<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4260	0.000	1	108.4260	0.000	1	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3550	0.000	1	108.3550	0.000	1	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.4325	0.821	2	106.4325	0.674	2	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1912	1.514	12	108.5862	2.580	26	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0332	0.700	4	108.5862	2.580	26	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.0722	2.073	6	108.5862	2.580	26	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Si<4>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|Si<4>,1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.2630	0.000	1	108.5862	2.580	26	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3825	2.702	2	108.5862	2.580	26	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|Si<4>,1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Si<4>,1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.3530	0.000	1	108.5862	2.580	26	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)(H){1|W<7>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(COO)(H){1|W<7>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.8380	3.058	2	111.8380	9.348	2	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.9415	0.705	4	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|I<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	117.3100	0.000	1	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.2468	1.085	8	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Cd<6>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Cd<6>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1680	0.171	2	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Co<6>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Co<6>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6220	0.131	4	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Mn<6>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Mn<6>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.7085	0.327	2	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Ni<6>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|Ni<6>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.9085	0.182	2	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(COO)(H){1|C<4>,1|I<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1470	0.000	1	109.8023	3.156	24	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4387	0.777	3	108.4387	0.604	3	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7527	0.647	3	108.7527	0.419	3	108.9566	2.879	82	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1623	1.154	3	109.1623	1.331	3	108.8102	0.715	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2250	0.000	1	108.8207	0.269	3	108.8102	0.715	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1185	0.070	2	108.8207	0.269	3	108.8102	0.715	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7050	0.000	1	107.7050	0.000	1	108.8102	0.715	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2940	0.105	2	108.2940	0.011	2	108.8102	0.715	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H){1|O<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.8600	0.000	1	109.8600	0.000	1	108.8102	0.715	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(COO)(H){1|Br<1>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.7520	0.000	1	109.7520	0.000	1	110.0510	0.179	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrN)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrN)(COO)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.3500	0.000	1	110.3500	0.000	1	110.0510	0.179	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.4703	1.296	3	108.4703	1.680	3	108.0938	0.541	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.3490	0.000	1	107.6610	0.078	3	108.0938	0.541	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.8170	0.098	2	107.6610	0.078	3	108.0938	0.541	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.6060	0.000	1	108.6060	0.000	1	108.0938	0.541	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.8795	0.084	2	107.8795	0.007	2	108.0938	0.541	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H){1|O<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1790	0.000	1	108.1790	0.000	1	108.0938	0.541	10	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1050	0.000	1	107.2960	1.309	2	106.6080	2.002	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.4870	0.000	1	107.2960	1.309	2	106.6080	2.002	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.1030	0.000	1	105.1030	0.000	1	106.6080	2.002	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	104.7410	0.000	1	104.7410	0.000	1	106.6080	2.002	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.5320	0.000	1	107.6060	0.011	2	106.6080	2.002	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.6800	0.000	1	107.6060	0.011	2	106.6080	2.002	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.9368	0.394	4	107.9368	0.155	4	107.9368	0.155	4	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.0505	0.240	4	109.0505	0.058	4	109.0505	0.058	4	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	107.3810	0.000	1	107.3810	0.000	1	107.9175	0.576	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHS)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NHH)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	108.4540	0.000	1	108.4540	0.000	1	107.9175	0.576	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:B-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.7960	0.000	1	110.7960	0.000	1	110.7960	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	109.0950	1.066	2	109.0950	1.137	2	109.0950	1.137	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	111.1585	0.698	2	111.1585	0.487	2	111.1585	0.487	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	109.7660	0.000	1	109.7660	0.000	1	110.7390	1.893	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.7120	0.000	1	111.7120	0.000	1	110.7390	1.893	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H)	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C)	105.1573	0.730	6	105.1573	0.533	6	105.1573	0.533	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]3)	104.7710	0.000	1	104.7710	0.000	1	104.7710	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]2C[5])	111.0843	0.278	6	111.0843	0.077	6	111.0843	0.077	6	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	112.5705	0.146	4	112.5705	0.021	4	112.5705	0.021	4	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	110.6610	1.544	2	110.6610	2.385	2	108.9282	7.625	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]2C[5])	104.8530	0.018	2	104.8530	0.000	2	108.9282	7.625	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]2C[5])	109.1585	0.545	2	109.1585	0.297	2	108.9282	7.625	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]2C[5])	107.7970	0.000	1	107.7970	0.000	1	108.9282	7.625	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	110.3080	0.000	1	110.3080	0.000	1	108.9282	7.625	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]2C[5])	112.9040	0.000	1	112.9040	0.000	1	108.9282	7.625	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]2C[6a])	109.4840	0.129	2	109.4840	0.017	2	109.2263	0.207	3	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[6a])	108.7110	0.000	1	108.7110	0.000	1	109.2263	0.207	3	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7560	0.096	2	106.7560	0.009	2	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9785	0.036	2	107.9785	0.001	2	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7460	0.000	1	107.7460	0.000	1	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4570	0.000	1	109.4570	0.000	1	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2980	0.221	2	109.4612	1.377	4	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6245	1.132	2	109.4612	1.377	4	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9030	0.325	2	108.0305	1.052	4	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1580	0.062	2	108.0305	1.052	4	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6760	0.048	2	108.6760	0.002	2	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8550	0.587	2	109.8550	0.344	2	108.5389	1.414	18	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5160	0.300	2	107.5160	0.090	2	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0050	0.000	1	107.0050	0.000	1	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.4720	0.000	1	112.4720	0.000	1	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.7970	0.000	1	104.7970	0.000	1	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9900	0.000	1	106.9900	0.000	1	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6840	0.000	1	106.6840	0.000	1	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3660	0.000	1	108.3660	0.000	1	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9433	2.559	4	110.9433	6.547	4	108.7599	7.460	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9600	0.000	1	108.9600	0.000	1	108.4426	0.489	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3180	0.000	1	107.3180	0.000	1	108.4426	0.489	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1980	0.000	1	108.1980	0.000	1	108.4426	0.489	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8685	0.018	2	108.8685	0.000	2	108.4426	0.489	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:P[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.7500	1.153	2	109.7500	1.328	2	109.7500	1.328	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.1595	1.036	2	109.1595	1.073	2	109.1595	1.073	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.8270	0.000	1	108.8270	0.000	1	108.8270	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[4,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5115	0.026	2	109.5115	0.001	2	109.5115	0.001	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1625	0.216	2	109.1625	0.047	2	110.0006	0.711	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8980	0.096	2	110.8980	0.009	2	110.0006	0.711	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6730	0.000	1	109.6730	0.000	1	110.0006	0.711	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0660	0.000	1	110.0660	0.000	1	110.0006	0.711	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.2740	0.000	1	111.2740	0.000	1	110.0006	0.711	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4355	0.491	2	109.4355	0.242	2	110.0006	0.711	9	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.7770	0.000	1	111.7770	0.000	1	111.6033	0.055	3	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5165	0.254	2	111.5165	0.064	2	111.6033	0.055	3	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.9480	0.000	1	105.9480	0.000	1	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5300	0.000	1	110.5300	0.000	1	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3280	0.000	1	108.3280	0.000	1	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1310	0.000	1	107.1310	0.000	1	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2067	1.261	4	106.2067	1.590	4	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8280	0.000	1	107.8280	0.000	1	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9520	0.318	2	110.9520	0.101	2	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8190	0.000	1	109.8190	0.000	1	108.0263	4.542	12	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8160	0.044	2	108.8160	0.002	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.2290	0.311	2	108.2290	0.097	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5735	0.231	2	108.5735	0.053	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3239	0.597	7	109.3239	0.356	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1590	0.000	1	110.1590	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3305	0.991	2	110.0947	6.108	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.9033	3.819	3	110.0947	6.108	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.1523	1.401	3	110.0947	6.108	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.0240	0.000	1	110.0947	6.108	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6360	0.042	2	109.0650	0.556	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7140	0.255	3	109.0650	0.556	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3827	0.428	3	109.0650	0.556	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0230	0.000	1	109.0650	0.556	9	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3045	0.880	2	110.5352	2.193	22	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7009	1.308	8	110.5352	2.193	22	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1096	1.452	8	110.5352	2.193	22	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3240	0.714	2	110.5352	2.193	22	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.9890	0.000	1	110.5352	2.193	22	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0440	0.000	1	110.5352	2.193	22	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3870	0.219	2	108.3870	0.048	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6420	0.023	2	109.6420	0.001	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5380	0.095	2	108.5380	0.009	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1130	0.000	1	108.7733	0.134	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3410	0.000	1	108.7733	0.134	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3910	0.000	1	108.7733	0.134	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5450	0.000	1	108.7733	0.134	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7445	0.333	2	108.7733	0.134	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5340	0.000	1	108.7733	0.134	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6440	0.000	1	108.6595	0.000	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6750	0.000	1	108.6595	0.000	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5500	0.684	2	109.5500	0.469	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4570	0.000	1	108.4570	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.3010	0.000	1	109.3010	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5180	0.000	1	108.7400	0.679	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5830	0.000	1	108.7400	0.679	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5000	0.000	1	108.7400	0.679	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1960	0.000	1	108.7400	0.679	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5170	0.000	1	108.7400	0.679	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4330	0.168	2	108.7400	0.679	7	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4370	0.000	1	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8153	1.871	10	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2630	0.273	2	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6885	0.224	2	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2300	0.117	2	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1230	0.000	1	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2940	0.585	4	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2927	1.874	4	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8787	0.343	4	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.2580	0.000	1	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2805	2.498	2	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5580	0.000	1	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9485	0.333	4	109.1608	1.494	38	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9920	0.000	1	109.9920	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4030	0.000	1	107.4030	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0885	0.831	2	108.6927	8.065	3	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.9010	0.000	1	108.6927	8.065	3	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0270	0.000	1	106.8035	0.399	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.6380	0.250	2	106.8035	0.399	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.7720	0.000	1	106.8035	0.399	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.3730	0.082	2	106.8035	0.399	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9840	0.000	1	108.9840	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3226	1.231	8	110.3226	1.516	8	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7285	0.607	2	108.7285	0.369	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.4880	0.000	1	106.4880	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1830	0.000	1	108.6900	0.514	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.1970	0.000	1	108.6900	0.514	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5210	0.000	1	109.5210	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8540	0.000	1	109.8540	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3790	0.000	1	108.5130	2.572	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.6470	0.000	1	108.5130	2.572	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2240	0.431	2	109.2240	0.186	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.9490	0.000	1	110.9913	3.058	3	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0125	0.606	2	110.9913	3.058	3	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.0195	0.114	2	109.0195	0.013	2	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5830	0.431	2	109.3958	0.185	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6180	0.000	1	109.3958	0.185	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6220	0.000	1	109.3958	0.185	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4845	0.057	2	109.3958	0.185	6	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2620	0.000	1	109.2620	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0100	0.000	1	110.0100	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5410	0.000	1	109.5410	0.000	1	109.3075	2.018	163	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7660	0.000	1	109.7660	0.000	1	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4360	0.000	1	108.4360	0.000	1	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8790	0.000	1	108.8790	0.000	1	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5830	0.000	1	110.5830	0.000	1	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7700	1.558	2	109.4644	3.353	5	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.3910	0.000	1	109.4644	3.353	5	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6955	0.523	2	109.4644	3.353	5	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1980	0.293	2	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6460	1.759	4	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.0640	0.000	1	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7740	0.199	2	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8950	0.000	1	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8715	2.262	2	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8499	1.017	7	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.2630	0.000	1	110.4221	3.239	20	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9130	0.000	1	108.6127	0.079	3	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4625	0.153	2	108.6127	0.079	3	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6005	0.128	2	109.6005	0.016	2	109.9549	2.735	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2530	0.000	1	110.2530	0.000	1	109.9208	0.125	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.0740	0.355	2	110.0740	0.126	2	109.9208	0.125	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5240	0.000	1	109.5240	0.000	1	109.9208	0.125	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6790	0.000	1	109.6790	0.000	1	109.9208	0.125	5	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.5390	0.345	2	110.5390	0.119	2	110.5390	0.119	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7630	0.097	3	110.6758	12.036	65	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5470	0.262	2	110.6758	12.036	65	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6912	0.755	33	110.6758	12.036	65	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.5605	0.175	2	110.6758	12.036	65	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	113.9446	3.625	25	110.6758	12.036	65	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	119.5053	0.479	16	115.2065	31.017	26	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.9910	0.424	2	115.2065	31.017	26	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7357	0.692	4	115.2065	31.017	26	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0900	0.415	4	115.2065	31.017	26	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3520	0.826	4	108.3520	0.682	4	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6820	0.187	4	108.6820	0.035	4	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.1695	0.523	4	107.1695	0.273	4	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.5800	0.880	4	107.5800	0.774	4	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7525	1.062	4	108.5642	1.769	56	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0390	0.035	2	108.5642	1.769	56	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3372	0.370	10	108.5642	1.769	56	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0930	2.890	8	108.5642	1.769	56	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7280	1.312	16	108.5642	1.769	56	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5048	0.374	14	108.5642	1.769	56	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8385	0.078	2	108.5642	1.769	56	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.3655	1.297	4	106.3655	1.682	4	110.3083	15.744	167	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:P[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]P[5])	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]P[5])	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9880	0.000	1	108.9880	0.000	1	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.2560	0.000	1	109.2560	0.000	1	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1220	0.000	1	107.1220	0.000	1	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.5100	0.000	1	109.5100	0.000	1	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0530	1.369	2	109.1190	1.136	5	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.4260	0.000	1	109.1190	1.136	5	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.5315	0.513	2	109.1190	1.136	5	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.8985	0.006	2	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.0572	1.361	4	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.9956	3.188	7	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.2320	0.000	1	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.3320	0.000	1	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.6430	0.000	1	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.3215	0.697	2	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.9140	1.655	2	111.2336	6.206	20	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0100	0.269	2	109.1253	0.076	3	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.3560	0.000	1	109.1253	0.076	3	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9940	1.018	2	108.9940	1.037	2	110.3091	5.125	34	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4965	2.217	2	109.4965	4.914	2	109.4965	4.914	2	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	109.4911	6.593	656	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	H(C[5,6]C[3x5,6,6]C[5,6]C[6a])	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[3x5,6,6]C[5,6]C[6a])	104.1790	0.000	1	104.1790	0.000	1	104.1790	0.000	1	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5,6]C[5,6,6]C[5,6]N[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,9|H<1>}	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]N[5])	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[6a])	107.8620	0.250	2	107.8620	0.063	2	107.8620	0.063	2	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.6300	0.000	1	109.6300	0.000	1	109.7485	0.028	2	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8670	0.000	1	109.8670	0.000	1	109.7485	0.028	2	108.9142	5.207	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(COO)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.1980	2.133	2	110.1980	4.548	2	110.1980	4.548	2	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0340	0.000	2	107.0340	0.000	2	107.6090	0.441	4	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1840	0.000	2	108.1840	0.000	2	107.6090	0.441	4	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN){1|C<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1280	0.000	1	107.1280	0.000	1	107.4070	0.156	2	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH){1|C<3>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6860	0.000	1	107.6860	0.000	1	107.4070	0.156	2	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.4950	0.000	1	112.4950	0.000	1	112.3740	0.029	2	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2530	0.000	1	112.2530	0.000	1	112.3740	0.029	2	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2660	0.000	1	106.2660	0.000	1	106.2660	0.000	1	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	108.5614	5.182	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.9710	0.000	1	107.9710	0.000	1	107.8314	0.020	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.6400	0.000	1	107.7453	0.011	3	107.8314	0.020	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7980	0.078	2	107.7453	0.011	3	107.8314	0.020	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.9500	0.000	1	107.9500	0.000	1	107.8314	0.020	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6,6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|O<1>,3|C<4>,4|O<2>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3){1|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6,6])	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|O<2>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3){1|O<2>,3|C<3>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C)	107.8085	0.066	2	107.8085	0.004	2	107.8786	0.014	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|Br<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C)	108.0540	0.000	1	107.9253	0.018	3	107.8786	0.014	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C)	107.8610	0.103	2	107.9253	0.018	3	107.8786	0.014	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C)	107.1970	0.000	1	107.1970	0.000	1	107.6603	0.232	3	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	107.8920	0.378	2	107.8920	0.143	2	107.6603	0.232	3	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	108.5590	0.566	2	108.5590	0.320	2	108.2203	0.321	4	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	107.8815	0.431	2	107.8815	0.185	2	108.2203	0.321	4	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.5550	0.000	1	107.5550	0.000	1	107.7275	0.060	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9000	0.000	1	107.9000	0.000	1	107.7275	0.060	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H){1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3){2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1420	0.000	1	106.1420	0.000	1	108.1325	7.924	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1230	0.000	1	110.1230	0.000	1	108.1325	7.924	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1530	0.379	2	108.1530	0.144	2	108.1530	0.144	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6030	0.000	1	109.6030	0.000	1	110.5152	0.764	4	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5240	0.812	2	110.5240	0.659	2	110.5152	0.764	4	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4100	0.000	1	111.4100	0.000	1	110.5152	0.764	4	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.0170	0.000	1	105.0170	0.000	1	106.9195	7.239	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8220	0.000	1	108.8220	0.000	1	106.9195	7.239	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.3220	0.000	1	110.3220	0.000	1	109.1000	0.671	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9135	0.637	2	108.7945	0.272	4	109.1000	0.671	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6755	0.595	2	108.7945	0.272	4	109.1000	0.671	5	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:S[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(S[5]C[5]O)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(S[5]C[5]O)(H){1|C<3>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.0127	0.088	3	107.0127	0.008	3	107.0127	0.008	3	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0320	0.000	1	108.5995	0.644	2	108.5995	0.644	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.1670	0.000	1	108.5995	0.644	2	108.5995	0.644	2	108.2395	1.498	43	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,6|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.5360	0.000	1	109.0470	0.474	3	109.3536	0.413	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>,6|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	H(C[5,6]C[3x5]C[5,6]C[6])	108.8025	0.767	2	109.0470	0.474	3	109.3536	0.413	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,6|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.8420	0.000	1	109.8135	0.002	2	109.3536	0.413	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.7850	0.000	1	109.8135	0.002	2	109.3536	0.413	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3060	0.000	1	108.3060	0.000	1	109.3360	2.315	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7495	0.586	2	108.7495	0.344	2	109.3360	2.315	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.5390	0.000	1	111.5390	0.000	1	109.3360	2.315	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.5340	0.000	1	109.5340	0.000	1	110.4105	1.537	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.2870	0.000	1	111.2870	0.000	1	110.4105	1.537	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H)	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H){2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.0490	0.000	1	107.0490	0.000	1	107.9200	1.517	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7910	0.000	1	108.7910	0.000	1	107.9200	1.517	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(NCH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(NCH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	106.4655	0.326	2	106.4655	0.106	2	106.4655	0.106	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]N[5,6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]N[5,6])	109.0090	0.260	2	109.0090	0.068	2	109.0090	0.068	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	104.9950	0.000	1	104.9950	0.000	1	104.9950	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.0750	0.000	1	110.0750	0.000	1	110.5915	0.534	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.1080	0.000	1	111.1080	0.000	1	110.5915	0.534	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	H(C[5,6]C[5,6]3)	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H){1|P<4>,3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	H(C[5,6]C[5,6]3)	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]2C[5])	111.1350	0.000	1	111.1350	0.000	1	110.9630	0.042	3	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]2C[5])	110.7350	0.000	1	110.7350	0.000	1	110.9630	0.042	3	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]2C[5])	111.0190	0.000	1	111.0190	0.000	1	110.9630	0.042	3	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]2C[5])	107.6050	0.000	1	108.7680	1.619	6	108.1591	5.242	9	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.6170	0.198	2	108.7680	1.619	6	108.1591	5.242	9	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	109.8380	0.095	2	108.7680	1.619	6	108.1591	5.242	9	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	110.0930	0.000	1	108.7680	1.619	6	108.1591	5.242	9	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	111.1970	0.000	1	111.1970	0.000	1	108.1591	5.242	9	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	104.8135	0.026	2	104.8135	0.001	2	108.1591	5.242	9	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]2C[6])	111.2920	0.000	1	111.2920	0.000	1	108.7678	4.611	11	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	107.2308	0.655	4	107.2308	0.429	4	108.7678	4.611	11	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9400	0.000	1	107.9400	0.000	1	108.7678	4.611	11	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	108.6350	0.045	2	108.6350	0.002	2	108.7678	4.611	11	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[6])	107.4740	0.000	1	107.4740	0.000	1	108.7678	4.611	11	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	109.7070	0.000	1	111.7735	8.541	2	108.7678	4.611	11	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	113.8400	0.000	1	111.7735	8.541	2	108.7678	4.611	11	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	105.6990	0.000	1	106.0460	0.241	2	107.0119	0.717	7	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	106.3930	0.000	1	106.0460	0.241	2	107.0119	0.717	7	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	107.2687	0.609	4	107.2687	0.371	4	107.0119	0.717	7	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9160	0.000	1	107.9160	0.000	1	107.0119	0.717	7	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[6a])	107.9070	0.208	2	107.9070	0.043	2	107.9070	0.043	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	H(C[5,6]C[5,6]2C[6a])	108.9500	0.000	1	108.9500	0.000	1	108.9670	0.001	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]2C[6a])	108.9840	0.000	1	108.9840	0.000	1	108.9670	0.001	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2N[5])	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	H(C[5,6]C[5,6]2N[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	H(C[5,6]C[5,6]2N[6])	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2N[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2N[6])	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9155	0.135	2	110.3913	0.688	3	110.2440	0.546	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3430	0.000	1	110.3913	0.688	3	110.2440	0.546	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8020	0.000	1	109.8020	0.000	1	110.2440	0.546	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.0830	0.000	1	105.0830	0.000	1	107.6326	2.382	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1450	0.000	1	108.1450	0.000	1	107.6326	2.382	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0120	0.000	1	108.0120	0.000	1	107.6326	2.382	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2510	0.000	1	108.4615	1.247	2	107.6326	2.382	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.6720	0.000	1	108.4615	1.247	2	107.6326	2.382	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8140	0.000	1	107.8140	0.000	1	108.4237	1.197	3	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6870	0.000	1	109.6870	0.000	1	108.4237	1.197	3	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7700	0.000	1	107.7700	0.000	1	108.4237	1.197	3	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0395	0.151	2	107.0395	0.023	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9620	0.000	1	106.9620	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5740	0.000	1	106.8200	1.137	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0660	0.000	1	106.8200	1.137	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1390	0.278	7	108.1390	0.077	7	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0630	0.000	1	108.0630	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|N<3>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1320	0.000	1	108.1320	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7780	0.000	1	107.7780	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1850	0.000	1	107.1850	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1370	0.000	1	109.1370	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5500	0.000	1	106.9080	0.824	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2660	0.000	1	106.9080	0.824	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1753	1.215	3	109.1753	1.475	3	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0450	0.000	1	109.0450	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3150	0.000	1	109.3150	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5610	0.000	1	109.5032	9.198	5	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9760	0.000	1	109.5032	9.198	5	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3970	4.537	2	109.5032	9.198	5	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1850	0.000	1	109.5032	9.198	5	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1980	0.000	1	109.1980	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7270	0.000	1	107.7235	0.000	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7200	0.000	1	107.7235	0.000	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2605	1.018	2	107.3607	1.784	8	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.5840	0.000	1	107.3607	1.784	8	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8087	0.943	3	107.3607	1.784	8	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1775	0.090	2	107.3607	1.784	8	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9030	0.199	2	107.9030	0.040	2	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7900	0.228	3	108.5530	0.259	4	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8420	0.000	1	108.5530	0.259	4	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8260	0.000	1	107.8260	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4830	0.000	1	108.4830	0.000	1	108.1047	1.912	48	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8720	0.000	1	107.8720	0.000	1	107.0185	1.457	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>,4|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	106.1650	0.000	1	106.1650	0.000	1	107.0185	1.457	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	112.3240	0.000	1	112.3240	0.000	1	112.3240	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.3730	0.000	1	111.3730	0.000	1	112.0160	0.827	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.6590	0.000	1	112.6590	0.000	1	112.0160	0.827	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2327	0.301	3	107.2327	0.090	3	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3120	0.000	1	106.8480	0.575	2	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3840	0.000	1	106.8480	0.575	2	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6730	0.000	1	107.6730	0.000	1	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5620	0.129	2	106.5620	0.017	2	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.3530	0.000	1	113.3530	0.000	1	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.9120	0.232	3	110.9120	0.054	3	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1180	0.000	1	109.1180	0.000	1	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6480	0.000	1	107.6480	0.000	1	108.5033	4.728	14	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.4045	0.190	2	106.4045	0.036	2	107.4778	1.061	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9585	0.193	2	107.9585	0.037	2	107.4778	1.061	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6630	0.000	1	108.6630	0.000	1	107.4778	1.061	5	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0870	0.008	2	107.0870	0.000	2	107.3575	0.448	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9030	0.000	1	106.9030	0.000	1	107.3575	0.448	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3530	0.000	1	108.3530	0.000	1	107.3575	0.448	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.3090	0.000	1	108.1148	1.496	4	108.1148	1.496	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.0240	0.000	1	108.1148	1.496	4	108.1148	1.496	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5630	0.000	2	108.1148	1.496	4	108.1148	1.496	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br){1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.6433	0.236	3	109.6433	0.056	3	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H){1|C<4>,1|S<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0860	0.000	1	108.0860	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9470	0.000	1	108.9170	0.002	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8870	0.000	1	108.9170	0.002	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.1050	0.000	1	109.4935	0.748	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8820	0.000	1	109.4935	0.748	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.5810	0.000	1	109.6353	0.578	11	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9410	0.118	5	109.6353	0.578	11	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,8|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.0180	0.000	1	109.6353	0.578	11	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7580	0.000	1	109.6353	0.578	11	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|Cl<1>,1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2760	0.000	1	109.6353	0.578	11	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8250	0.096	2	109.6353	0.578	11	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2990	0.000	1	108.2990	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3510	0.371	2	109.3510	0.137	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.8460	0.399	2	108.8460	0.159	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|F<1>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7270	0.000	1	109.7270	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8780	0.000	1	109.1595	1.032	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4410	0.000	1	109.1595	1.032	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7110	0.000	1	109.7110	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.3850	1.000	2	109.3850	1.000	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4700	0.000	1	110.4700	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2940	0.397	2	110.2940	0.158	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.6180	0.458	2	110.6180	0.210	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.2990	0.000	1	112.2990	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8700	0.000	1	109.8700	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.5680	0.000	1	108.5680	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	110.3120	0.000	1	110.3120	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|W<7>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.4285	0.059	2	108.4285	0.003	2	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|W<7>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.2330	0.000	1	106.2330	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H){3|C<3>,8|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.5540	0.000	1	109.5540	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.3150	0.000	1	110.3150	0.000	1	109.4852	0.996	44	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.7650	0.120	2	109.7650	0.014	2	109.5507	0.332	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7050	0.000	1	108.7050	0.000	1	109.5507	0.332	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.9680	0.000	1	109.9680	0.000	1	109.5507	0.332	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:P[6]-4:C[5]-3:H-1:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	H(C[5,6]C[5,6]C[5]P[6])	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H){3|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	H(C[5,6]C[5,6]C[5]P[6])	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:S[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H){1|C<3>,7|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|O<1>}	H(C[5,6]C[5,6]C[6]S[5])	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:Si[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H)	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]Si[6]C[5])	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]Si[6]C[5])	103.3860	0.000	1	103.3860	0.000	1	103.3860	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6,6]N[5])	110.5210	0.203	3	110.5210	0.041	3	110.2565	0.307	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	109.4630	0.000	1	109.4630	0.000	1	110.2565	0.307	4	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.8850	0.000	1	106.8850	0.000	1	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3910	2.943	2	108.3910	8.661	2	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2800	0.501	2	108.2800	0.251	2	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8760	0.000	1	107.8760	0.000	1	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|F<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9370	0.000	1	106.9370	0.000	1	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9640	0.000	1	107.1122	0.233	5	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.8992	0.092	4	107.1122	0.233	5	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2007	2.308	3	108.2007	5.327	3	107.6802	1.848	15	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9120	0.289	3	106.9120	0.084	3	106.9120	0.084	3	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8910	0.000	1	109.8910	0.000	1	109.1950	0.969	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4990	0.000	1	108.4990	0.000	1	109.1950	0.969	2	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]N[5,6,6]C[6,6a]C[5,6])	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	H(C[5,6]N[5,6,6]C[6,6a]C[5,6])	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	108.6520	2.793	245	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5])	H(C[5,6]C[5,6]3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5]){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]3)	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]2C[5])	111.4530	0.000	1	111.4530	0.000	1	111.1310	0.078	6	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]2C[5])	111.0435	0.292	4	111.0666	0.067	5	111.1310	0.078	6	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]2C[5])	111.1590	0.000	1	111.0666	0.067	5	111.1310	0.078	6	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]2C[5])	110.8555	0.301	2	110.8555	0.090	2	110.8555	0.090	2	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a])	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H){11|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a]){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2N[5])	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4460	0.000	1	106.4460	0.000	1	106.4460	0.000	1	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.9000	0.000	1	108.9000	0.000	1	109.6530	0.905	4	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.7620	0.000	1	109.9040	0.979	3	109.6530	0.905	4	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.4750	0.042	2	109.9040	0.979	3	109.6530	0.905	4	109.5495	2.992	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.6290	0.639	2	107.6290	0.409	2	107.9081	0.485	8	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.9000	0.000	1	107.9000	0.000	1	107.9081	0.485	8	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4937	0.573	3	107.4937	0.328	3	107.9081	0.485	8	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7040	0.000	1	108.7040	0.000	1	107.9081	0.485	8	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(COO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)(COO){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9220	0.000	1	108.9220	0.000	1	107.9081	0.485	8	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.6770	0.000	1	108.8905	0.205	4	108.8905	0.205	4	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.5170	0.000	1	108.8905	0.205	4	108.8905	0.205	4	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1840	0.506	2	108.8905	0.205	4	108.8905	0.205	4	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(CHHS)(COO)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(CHHS)(COO){1|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6]C[5,5,6]N[5]H)(C[5,6]C[5,6,6]HH)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,5,6]C[5,6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]N[5]H)(C[5,6]C[5,6,6]HH)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[5])	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(COO)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|N<3>,1|N<4>,4|C<3>}	H(C[5,6]C[5,6]2C[5])	107.4130	0.000	2	107.4130	0.000	2	107.4130	0.000	2	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO){1|S<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1060	1.640	2	107.1060	2.691	2	107.1060	2.691	2	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2047	0.358	3	107.2047	0.128	3	107.2163	0.086	4	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2510	0.000	1	107.2510	0.000	1	107.2163	0.086	4	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	107.9558	0.911	23	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(CCH)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3){1|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9905	0.450	2	108.9905	0.203	2	108.9660	0.103	3	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(COO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CH3)2{1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9170	0.000	1	108.9170	0.000	1	108.9660	0.103	3	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]H)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]N[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]H)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[5])	105.1670	0.000	1	105.1670	0.000	1	105.1670	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	104.0540	0.000	1	104.0135	0.003	2	104.0135	0.003	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	103.9730	0.000	1	104.0135	0.003	2	104.0135	0.003	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C)	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	108.3180	0.000	1	108.3180	0.000	1	107.7700	0.601	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	107.2220	0.000	1	107.2220	0.000	1	107.7700	0.601	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	109.8430	0.079	2	109.9137	0.018	3	108.9706	1.689	5	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	110.0550	0.000	1	109.9137	0.018	3	108.9706	1.689	5	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	107.5560	0.223	2	107.5560	0.050	2	108.9706	1.689	5	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	106.0315	0.463	2	106.0315	0.215	2	106.0315	0.215	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5,6]C[5,6]2N[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H){11|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|S<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2N[5])	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2N[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2N[6])	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3220	0.000	1	106.5895	0.143	2	106.5895	0.143	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8570	0.000	1	106.5895	0.143	2	106.5895	0.143	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4070	0.000	1	111.4070	0.000	1	112.6748	1.435	5	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<2>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.4523	0.770	3	113.4523	0.593	3	112.6748	1.435	5	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6100	0.000	1	111.6100	0.000	1	112.6748	1.435	5	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3915	0.045	2	106.0235	0.153	14	106.3647	0.859	18	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2117	0.728	3	106.0235	0.153	14	106.3647	0.859	18	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.8790	0.211	9	106.0235	0.153	14	106.3647	0.859	18	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4180	0.264	2	106.4180	0.070	2	106.3647	0.859	18	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6995	0.050	2	108.6995	0.003	2	106.3647	0.859	18	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.6565	0.146	2	111.5715	0.139	10	111.5715	0.139	10	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.1250	0.356	2	111.5715	0.139	10	111.5715	0.139	10	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.6310	0.349	5	111.5715	0.139	10	111.5715	0.139	10	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|Ni<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.9970	0.000	1	111.5715	0.139	10	111.5715	0.139	10	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2580	0.000	1	105.2580	0.000	1	105.2580	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.2480	0.000	1	104.2480	0.000	1	104.2480	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9840	0.000	1	105.9840	0.000	1	105.9840	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.9100	0.000	1	104.9100	0.000	1	105.5415	0.798	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1730	0.000	1	106.1730	0.000	1	105.5415	0.798	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[4,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6445	0.599	2	105.6445	0.359	2	105.6445	0.359	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6620	0.000	1	105.6620	0.000	1	105.6620	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7610	1.015	11	106.7610	1.030	11	107.3937	3.244	13	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8735	0.105	2	110.8735	0.011	2	107.3937	3.244	13	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.8860	0.000	1	105.8860	0.000	1	105.4020	0.469	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.9180	0.000	1	104.9180	0.000	1	105.4020	0.469	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H){2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|N<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6030	0.000	1	107.6030	0.000	1	106.3660	1.177	3	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H){3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.7475	0.244	2	105.7475	0.060	2	106.3660	1.177	3	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[6]N[5]H)(CH3)2	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[6]N[5]H)(CH3)2{3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.2830	0.456	4	110.2830	0.208	4	110.2830	0.208	4	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3){1|O<2>,2|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8480	0.147	2	109.8480	0.022	2	109.8480	0.022	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.7280	0.000	1	110.7280	0.000	1	108.9075	6.628	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.0870	0.000	1	107.0870	0.000	1	108.9075	6.628	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]N[5])	108.6050	0.059	2	108.6050	0.004	2	108.6050	0.004	2	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.2400	0.000	1	107.2400	0.000	1	107.2400	0.000	1	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4838	0.842	5	107.4838	0.710	5	107.1860	1.663	12	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.2660	0.216	2	108.2660	0.047	2	107.1860	1.663	12	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3730	0.000	1	107.3730	0.000	1	107.1860	1.663	12	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6140	0.000	1	106.6140	0.000	1	107.1860	1.663	12	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0440	0.000	1	105.0440	0.000	1	107.1860	1.663	12	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.7470	0.000	1	104.7470	0.000	1	107.1860	1.663	12	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.5030	0.000	1	108.5030	0.000	1	107.1860	1.663	12	107.8797	5.425	105	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.3130	0.304	2	108.3130	0.092	2	108.3130	0.092	2	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.6420	0.168	2	107.6420	0.028	2	107.6420	0.028	2	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4730	0.000	1	109.3563	0.595	4	109.3538	0.447	5	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7150	0.000	1	109.3563	0.595	4	109.3538	0.447	5	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2050	0.000	1	109.3563	0.595	4	109.3538	0.447	5	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0320	0.000	1	109.3563	0.595	4	109.3538	0.447	5	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3440	0.000	1	109.3440	0.000	1	109.3538	0.447	5	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4180	0.000	1	109.0140	0.326	2	108.2470	1.928	3	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6100	0.000	1	109.0140	0.326	2	108.2470	1.928	3	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7130	0.000	1	106.7130	0.000	1	108.2470	1.928	3	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	108.8614	2.185	14	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	107.8140	0.389	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H){1|N<3>,3|C<3>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	107.8140	0.389	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6]N[5,5,6]HH)(SC[6a]OO)(H)	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6]N[5,5,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2{1|S<4>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]S)	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C)	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0930	0.325	2	107.0930	0.106	2	108.1546	1.386	17	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.2810	1.239	6	108.6019	1.238	12	108.1546	1.386	17	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9228	0.283	6	108.6019	1.238	12	108.1546	1.386	17	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9050	0.000	1	107.2055	0.181	2	108.1546	1.386	17	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5060	0.000	1	107.2055	0.181	2	108.1546	1.386	17	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Se<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8090	0.000	1	106.8090	0.000	1	108.1546	1.386	17	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2780	0.000	1	110.2780	0.000	1	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2730	0.000	1	109.2730	0.000	1	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8397	1.126	3	109.8397	1.268	3	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7690	0.000	1	108.7690	0.000	1	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8400	0.000	1	110.8085	0.002	2	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7770	0.000	1	110.8085	0.002	2	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4030	0.000	1	105.4030	0.000	1	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3920	0.095	2	108.3920	0.009	2	109.2403	2.601	11	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6865	0.233	2	107.2600	5.371	4	107.2600	5.371	4	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5880	0.000	1	107.2600	5.371	4	107.2600	5.371	4	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0790	0.000	1	107.2600	5.371	4	107.2600	5.371	4	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4980	0.000	1	108.4980	0.000	1	109.5017	1.266	19	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6170	1.659	2	108.9135	0.884	10	109.5017	1.266	19	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7376	0.753	8	108.9135	0.884	10	109.5017	1.266	19	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0232	0.822	5	110.0232	0.675	5	109.5017	1.266	19	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.5720	0.000	1	110.5720	0.000	1	109.5017	1.266	19	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1055	0.134	2	111.1055	0.018	2	109.5017	1.266	19	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	105.8520	0.000	1	105.8520	0.000	1	106.8560	2.016	2	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	107.8600	0.000	1	107.8600	0.000	1	106.8560	2.016	2	108.7714	2.369	55	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	107.9800	1.758	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<1>,2|C<3>,2|F<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	107.9800	1.758	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.5250	0.000	1	106.5250	0.000	1	106.5250	0.000	1	107.9800	1.758	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	107.9800	1.758	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6690	0.062	2	108.6690	0.004	2	108.6690	0.004	2	107.9800	1.758	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5460	0.102	2	106.5460	0.010	2	106.5460	0.010	2	107.9800	1.758	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[5])	108.2260	0.000	1	108.2260	0.000	1	109.0302	0.319	4	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	109.2983	0.219	3	109.2983	0.048	3	109.0302	0.319	4	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	110.3635	0.450	2	110.3635	0.203	2	109.6154	0.981	13	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	110.7910	0.000	1	110.7910	0.000	1	109.6154	0.981	13	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<5>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	110.3680	0.000	2	109.3482	0.928	10	109.6154	0.981	13	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.6227	0.295	6	109.3482	0.928	10	109.6154	0.981	13	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	110.5050	0.000	2	109.3482	0.928	10	109.6154	0.981	13	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	110.6310	0.143	2	110.6310	0.020	2	110.6310	0.020	2	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	110.6375	0.251	2	110.6375	0.063	2	110.6375	0.063	2	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.2780	0.104	3	106.2780	0.011	3	106.2780	0.011	3	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9720	0.000	1	109.9720	0.000	1	110.9077	0.670	3	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2590	0.000	1	111.2590	0.000	1	110.9077	0.670	3	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4920	0.000	1	111.4920	0.000	1	110.9077	0.670	3	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.5165	0.598	4	106.5165	0.358	4	109.1927	5.533	10	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7090	0.000	1	111.7090	0.000	1	109.1927	5.533	10	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1150	0.007	2	111.1150	0.000	2	109.1927	5.533	10	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4470	0.000	1	110.4470	0.000	1	109.1927	5.533	10	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7375	0.076	2	110.7375	0.006	2	109.1927	5.533	10	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]S[6])	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8700	0.314	2	107.8700	0.099	2	107.6201	0.390	7	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5202	0.719	5	107.5202	0.517	5	107.6201	0.390	7	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9080	0.000	1	107.9080	0.000	1	108.5283	0.294	3	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9140	0.000	1	108.9140	0.000	1	108.5283	0.294	3	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7630	0.000	1	108.7630	0.000	1	108.5283	0.294	3	109.2765	2.716	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	108.7783	1.156	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	108.7783	1.156	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	H(C[5,6]C[5,6]2C[5])	109.2630	0.298	3	109.2630	0.089	3	109.2630	0.089	3	108.7783	1.156	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	108.7783	1.156	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.7783	1.156	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.8160	0.000	1	104.8160	0.000	1	104.8160	0.000	1	104.8160	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	107.9901	1.032	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1940	0.247	2	108.1460	1.232	4	108.1460	1.232	4	107.9901	1.032	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0980	0.105	2	108.1460	1.232	4	108.1460	1.232	4	107.9901	1.032	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3510	0.000	1	106.3510	0.000	1	107.5110	1.039	3	107.9901	1.032	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9190	0.000	1	107.9190	0.000	1	107.5110	1.039	3	107.9901	1.032	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2630	0.000	1	108.2630	0.000	1	107.5110	1.039	3	107.9901	1.032	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.4125	0.419	16	111.4125	0.176	16	111.4125	0.176	16	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	H(C[5,6]C[5,6]2C[6])	108.0060	1.131	2	108.2464	0.400	5	108.2464	0.400	5	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[5,6]C[5,6]2C[6])	108.4067	0.253	3	108.2464	0.400	5	108.2464	0.400	5	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7096	0.268	5	108.7096	0.072	5	108.7096	0.072	5	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1540	0.000	1	106.1540	0.000	1	106.8953	5.223	4	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5645	0.016	2	105.5645	0.000	2	106.8953	5.223	4	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2980	0.000	1	110.2980	0.000	1	106.8953	5.223	4	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.9600	0.000	1	105.9600	0.000	1	106.6724	0.188	5	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8505	0.197	4	106.8505	0.039	4	106.6724	0.188	5	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0600	0.434	2	108.0600	0.188	2	108.1403	0.679	6	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7230	0.000	1	106.7230	0.000	1	108.1403	0.679	6	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6663	0.420	3	108.6663	0.176	3	108.1403	0.679	6	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0647	0.165	3	107.5085	0.631	6	107.7751	0.767	9	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9523	0.979	3	107.5085	0.631	6	107.7751	0.767	9	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8395	0.076	2	108.3083	0.849	3	107.7751	0.767	9	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2460	0.000	1	108.3083	0.849	3	107.7751	0.767	9	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4150	0.000	1	108.4150	0.000	1	107.9135	0.503	2	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4120	0.000	1	107.4120	0.000	1	107.9135	0.503	2	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8645	0.108	2	107.8645	0.012	2	107.9357	0.021	3	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0780	0.000	1	108.0780	0.000	1	107.9357	0.021	3	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4870	0.000	1	107.4870	0.000	1	108.0067	0.144	8	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4280	0.172	3	108.0810	0.117	7	108.0067	0.144	8	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8208	0.056	4	108.0810	0.117	7	108.0067	0.144	8	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H){1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	108.7768	3.220	71	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	107.7583	1.187	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	107.7583	1.187	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	107.7583	1.187	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2C)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5560	2.267	2	107.5560	5.139	2	107.5560	5.139	2	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4320	0.000	1	105.5196	0.089	8	105.5788	0.098	10	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6600	0.270	5	105.5196	0.089	8	105.5788	0.098	10	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<4>,3|C<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2125	0.193	2	105.5196	0.089	8	105.5788	0.098	10	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5740	0.000	1	105.5740	0.000	1	105.5788	0.098	10	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0570	0.000	1	106.0570	0.000	1	105.5788	0.098	10	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2760	0.000	1	109.2760	0.000	1	105.2150	12.872	3	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.1845	1.003	2	103.1845	1.007	2	105.2150	12.872	3	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	101.7250	0.000	1	101.7250	0.000	1	102.5320	1.302	2	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.3390	0.000	1	103.3390	0.000	1	102.5320	1.302	2	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,6|H<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7455	0.332	2	106.7455	0.110	2	106.7455	0.110	2	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7240	0.000	1	107.7240	0.000	1	107.7240	0.000	1	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|Si<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.6920	0.000	2	103.4497	0.176	3	104.7519	0.848	11	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	102.9650	0.000	1	103.4497	0.176	3	104.7519	0.848	11	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7280	0.000	1	105.7280	0.000	1	104.7519	0.848	11	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9550	0.000	2	104.9550	0.000	2	104.7519	0.848	11	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3500	0.431	4	105.2568	0.183	5	104.7519	0.848	11	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8840	0.000	1	105.2568	0.183	5	104.7519	0.848	11	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0480	0.000	1	107.0480	0.000	1	105.4825	1.650	4	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.0600	0.000	1	104.0600	0.000	1	105.4825	1.650	4	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4110	0.683	2	105.4110	0.467	2	105.4825	1.650	4	105.4602	2.956	36	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H)	H(C[5,6]C[5,6]3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]3)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4390	0.000	1	109.7097	0.055	3	109.7097	0.055	3	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8600	0.000	1	109.7097	0.055	3	109.7097	0.055	3	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8300	0.000	1	109.7097	0.055	3	109.7097	0.055	3	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5410	0.000	1	108.5410	0.000	1	108.1910	0.245	2	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8410	0.000	1	107.8410	0.000	1	108.1910	0.245	2	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.9750	0.000	1	111.9750	0.000	1	109.4223	2.897	4	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5650	0.044	2	108.5650	0.002	2	109.4223	2.897	4	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5840	0.000	1	108.5840	0.000	1	109.4223	2.897	4	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1055	0.107	2	108.1055	0.011	2	108.1055	0.011	2	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1800	0.000	1	108.1135	0.009	2	108.1135	0.009	2	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0470	0.000	1	108.1135	0.009	2	108.1135	0.009	2	108.7973	1.088	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H){1|C<4>,1|N<2>,2|C<2>}	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3){1|C<2>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,6]2C)	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.3423	8.820	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.4000	0.000	1	111.4345	17.588	2	111.4345	17.588	2	111.3423	8.820	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4690	0.000	1	111.4345	17.588	2	111.4345	17.588	2	111.3423	8.820	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8355	0.136	2	107.8355	0.019	2	107.8355	0.019	2	107.9295	0.029	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0235	0.183	2	108.0235	0.034	2	108.0235	0.034	2	107.9295	0.029	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:3:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){2|C<3>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]2C[5])	108.9550	0.000	1	109.1665	0.128	4	109.1665	0.128	4	109.1665	0.128	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:3:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	H(C[5,6]C[5,6]2C[5])	109.2370	0.403	3	109.1665	0.128	4	109.1665	0.128	4	109.1665	0.128	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	H(C[5,6]C[5,3x6]C[5,6]C[6])	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,6]C[6])	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.3407	0.624	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	106.7630	0.409	2	106.7630	0.167	2	106.7630	0.167	2	107.3407	0.624	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	107.3407	0.624	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	107.2927	1.534	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	105.5070	0.000	1	105.5070	0.000	1	107.2380	2.283	3	107.2927	1.534	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9150	0.000	1	107.9150	0.000	1	107.2380	2.283	3	107.2927	1.534	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.2920	0.000	1	108.2920	0.000	1	107.2380	2.283	3	107.2927	1.534	4	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH)	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	106.8110	0.000	2	106.8110	0.000	2	106.8110	0.000	2	106.8110	0.000	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[3,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5,6]C[3,5,6]C[5,6]C[5])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,6]C[5])	106.2120	0.000	1	106.2120	0.000	1	106.2120	0.000	1	107.3697	3.751	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	106.8330	0.000	1	106.8330	0.000	1	106.9656	2.562	5	107.3697	3.751	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	107.1300	0.000	1	107.1300	0.000	1	106.9656	2.562	5	107.3697	3.751	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	105.9825	2.128	2	105.9825	4.527	2	106.9656	2.562	5	107.3697	3.751	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.9000	0.000	1	108.9000	0.000	1	106.9656	2.562	5	107.3697	3.751	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	107.3697	3.751	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5,6]-4:S[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]S[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(S[6]C[6]OO)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H){2|C<4>,2|O<1>,3|H<1>,3|O<2>}	H(C[5,6]C[5,5]C[5,6]S[6])	111.0455	0.128	2	111.0455	0.016	2	111.0455	0.016	2	107.2422	23.703	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	100.8218	7.982	2	100.8218	63.714	2	100.8218	63.714	2	107.2422	23.703	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H){2|H<1>,7|C<4>}	H(C[5,6]C[5,6]2C[6])	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	107.2422	23.703	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	107.2422	23.703	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	107.2422	23.703	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1950	0.085	2	108.1950	0.007	2	108.1950	0.007	2	107.2422	23.703	9	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	H(C[5,6]C[5,6]2C[6])	108.0250	1.140	2	108.2562	0.407	5	108.2562	0.407	5	108.9957	1.867	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.4103	0.276	3	108.2562	0.407	5	108.2562	0.407	5	108.9957	1.867	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8445	0.049	2	110.8445	0.002	2	110.8445	0.002	2	108.9957	1.867	7	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	102.9870	0.000	1	102.9870	0.000	1	104.9963	3.047	3	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6]2C[6])	106.0010	0.195	2	106.0010	0.038	2	104.9963	3.047	3	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6300	0.373	2	108.6300	0.139	2	108.6300	0.139	2	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6000	0.000	1	106.6000	0.000	1	107.6018	0.586	12	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4070	0.000	1	108.4450	0.731	3	107.6018	0.586	12	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9640	0.272	2	108.4450	0.731	3	107.6018	0.586	12	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8210	0.000	1	106.8210	0.000	1	107.6018	0.586	12	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2717	0.152	4	107.2717	0.023	4	107.6018	0.586	12	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1720	0.000	1	107.1720	0.000	1	107.6018	0.586	12	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1035	0.207	2	108.1035	0.043	2	107.6018	0.586	12	107.2630	2.075	17	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<1>,7|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5270	0.000	1	109.5270	0.000	1	108.9673	0.239	3	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6875	0.094	2	108.6875	0.009	2	108.9673	0.239	3	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0270	0.000	1	109.3985	0.276	2	109.3985	0.276	2	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7700	0.000	1	109.3985	0.276	2	109.3985	0.276	2	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H){3|O<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	109.0302	2.385	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	109.7669	2.368	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0490	0.205	2	110.6900	0.192	4	110.6900	0.192	4	109.7669	2.368	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3310	0.134	2	110.6900	0.192	4	110.6900	0.192	4	109.7669	2.368	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1985	0.019	2	110.1985	0.000	2	110.1985	0.000	2	109.7669	2.368	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	109.7669	2.368	8	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:3:	4:	C[5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H){1|S<4>,2|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	107.0820	0.054	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2{3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	107.0820	0.054	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	103.8960	0.000	1	102.4255	4.325	2	102.4255	4.325	2	107.7007	8.796	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	100.9550	0.000	1	102.4255	4.325	2	102.4255	4.325	2	107.7007	8.796	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8100	0.076	2	107.8100	0.006	2	107.8100	0.006	2	107.7007	8.796	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	107.7007	8.796	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7740	0.000	1	109.7740	0.000	1	109.6300	0.017	5	107.7007	8.796	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5940	0.121	4	109.5940	0.015	4	109.6300	0.017	5	107.7007	8.796	10	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H){1|C<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6])	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]Si)	105.6650	0.000	1	105.6650	0.000	1	105.6650	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.4610	0.000	1	110.4610	0.000	1	111.1325	0.902	2	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.8040	0.000	1	111.8040	0.000	1	111.1325	0.902	2	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H){1|O<1>,1|S<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	110.3390	0.440	2	109.6144	1.000	13	109.6144	1.000	13	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<5>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	110.4060	0.000	2	109.6144	1.000	13	109.6144	1.000	13	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	110.7710	0.000	1	109.6144	1.000	13	109.6144	1.000	13	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	108.6117	0.304	6	109.6144	1.000	13	109.6144	1.000	13	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	110.5280	0.000	2	109.6144	1.000	13	109.6144	1.000	13	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[6])	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	106.9450	0.000	1	106.9450	0.000	1	109.8822	2.719	5	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	110.6210	0.164	2	110.6210	0.027	2	109.8822	2.719	5	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	110.6120	0.256	2	110.6120	0.066	2	109.8822	2.719	5	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	H(C[5,6]C[5,6]2C[6])	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	108.8205	3.451	2	108.8205	11.912	2	108.8205	11.912	2	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.5800	0.000	1	104.5800	0.000	1	104.5800	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5827	1.925	3	107.5827	3.704	3	107.5827	3.704	3	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8220	0.000	2	109.8220	0.000	2	108.7762	0.699	6	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8580	0.000	1	107.8580	0.000	1	108.7762	0.699	6	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4250	0.000	1	108.4250	0.000	1	108.7762	0.699	6	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3230	0.000	1	108.3230	0.000	1	108.7762	0.699	6	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4070	0.000	1	108.4070	0.000	1	108.7762	0.699	6	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0750	0.000	1	106.0750	0.000	1	106.0510	0.001	2	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0270	0.000	1	106.0270	0.000	1	106.0510	0.001	2	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6105	0.091	2	107.6105	0.008	2	107.9060	0.266	3	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4970	0.000	1	108.4970	0.000	1	107.9060	0.266	3	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3345	0.161	2	108.3345	0.026	2	108.4037	0.146	10	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4210	0.427	8	108.4210	0.182	8	108.4037	0.146	10	108.6348	2.471	56	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	103.4935	2.681	2	103.4935	7.186	2	103.4935	7.186	2	103.4935	7.186	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1220	0.332	2	107.1220	0.110	2	107.1220	0.110	2	107.1220	0.110	2	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.5160	0.198	2	104.4517	0.032	3	104.4012	0.026	5	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|Cl<1>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.3230	0.000	1	104.4517	0.032	3	104.4012	0.026	5	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.3255	0.141	2	104.3255	0.020	2	104.4012	0.026	5	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	106.1260	0.000	1	106.1260	0.000	1	108.0675	7.539	2	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	110.0090	0.000	1	110.0090	0.000	1	108.0675	7.539	2	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1480	0.000	1	106.1480	0.000	1	106.1480	0.000	1	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0280	0.000	1	106.0280	0.000	1	106.0280	0.000	1	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.1220	0.000	1	104.1220	0.000	1	104.8868	0.474	8	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0370	0.000	1	106.0370	0.000	1	104.8868	0.474	8	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.6192	0.530	4	104.6192	0.281	4	104.8868	0.474	8	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2290	0.223	2	105.2290	0.050	2	104.8868	0.474	8	105.4350	2.490	18	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6])	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2	H(C[5,6]C[4,5,6,6]C[3,5]C[5,6])	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[4,5,6,6]C[3,5]C[5,6])	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.2670	0.000	1	109.2670	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7330	0.000	1	107.7330	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.3935	0.131	2	108.3935	0.017	2	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.8110	0.000	1	109.8110	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CC3)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.3700	0.000	1	106.3700	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H){1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4010	0.000	1	107.4010	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H){1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.6930	0.112	2	106.6930	0.012	2	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4200	0.390	3	107.2260	0.252	4	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.6440	0.000	1	107.2260	0.252	4	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.2650	0.231	4	109.2650	0.053	4	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9070	0.000	1	108.9070	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.9780	0.000	1	109.9780	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.6070	0.000	1	110.6070	0.000	1	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	110.7350	0.153	2	110.7350	0.023	2	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[5]CC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C)	104.3015	0.025	2	104.3015	0.001	2	108.1785	3.241	24	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.7060	0.000	1	111.7060	0.000	1	111.7060	0.000	1	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N)	107.3740	1.714	2	107.3740	2.938	2	108.8092	2.804	6	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NRuCH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NRuCH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.4585	2.210	2	109.4585	4.883	2	108.8092	2.804	6	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.5950	0.000	2	109.5950	0.000	2	108.8092	2.804	6	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2O)(H){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	108.2620	0.000	1	108.2620	0.000	1	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.7602	0.098	4	110.7602	0.010	4	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(PC[6a]2B)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	105.6755	0.018	2	105.6755	0.000	2	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<3>,1|H<1>,1|P<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	106.6917	0.465	3	106.6917	0.216	3	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|H<1>,1|O<2>,1|P<4>}	H(C[5,6]C[5,5,6]C[5,6]P)	109.0980	0.000	1	109.1355	0.003	2	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(PC[6a]2Pt)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	109.1730	0.000	1	109.1355	0.003	2	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.2840	0.000	1	111.2840	0.000	1	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.4210	0.000	1	111.4210	0.000	1	108.8361	4.787	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]S)	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a]PtO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.6567	0.139	3	111.6567	0.019	3	111.6016	0.063	5	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(SPtCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]S)	111.5190	0.438	2	111.5190	0.192	2	111.6016	0.063	5	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Si)	109.0045	0.818	2	109.0045	0.669	2	109.0045	0.669	2	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	110.1990	0.000	1	110.2295	0.002	2	110.2295	0.002	2	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	110.2600	0.000	1	110.2295	0.002	2	110.2295	0.002	2	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2{3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	110.9910	0.250	3	110.9910	0.063	3	110.9910	0.063	3	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5410	0.000	1	109.5410	0.000	1	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4610	0.000	1	110.4145	2.237	4	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.5120	0.000	1	110.4145	2.237	4	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.6560	0.000	1	110.4145	2.237	4	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.0290	0.000	1	110.4145	2.237	4	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|P<4>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.0060	0.072	2	110.0060	0.005	2	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1850	0.000	1	111.1850	0.000	1	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.5510	0.000	1	110.5510	0.000	1	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6500	0.000	1	110.6500	0.000	1	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3210	0.246	2	111.3210	0.061	2	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|S<4>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1180	0.000	1	111.1180	0.000	1	110.5659	0.865	13	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2250	0.000	1	111.2250	0.000	1	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4580	0.000	1	111.4910	0.002	2	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5240	0.000	1	111.4910	0.002	2	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9950	0.000	1	110.9950	0.000	1	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9360	0.000	1	110.9173	0.374	3	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2970	0.000	1	110.9173	0.374	3	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5190	0.000	1	110.9173	0.374	3	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9280	0.127	2	110.8177	0.045	3	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5970	0.000	1	110.8177	0.045	3	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.4360	0.107	2	111.4360	0.012	2	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>}	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9380	0.000	1	110.9380	0.000	1	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.1650	0.000	1	110.9900	0.025	4	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9317	0.130	3	110.9900	0.025	4	111.0692	0.118	17	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6880	0.000	1	110.6880	0.000	1	111.0755	0.300	2	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4630	0.000	1	111.4630	0.000	1	111.0755	0.300	2	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6732	0.330	5	110.6732	0.109	5	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7640	0.000	1	110.7640	0.000	1	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4760	0.000	1	111.4760	0.000	1	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.1240	0.000	1	112.1650	6.584	3	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6855	0.185	2	112.1650	6.584	3	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0990	0.000	1	111.0990	0.000	1	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|C<4>,1|N<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0500	0.000	1	111.0500	0.000	1	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8940	0.000	1	110.8940	0.000	1	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8110	0.000	1	110.8110	0.000	1	111.1396	1.406	14	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.6050	0.000	1	112.6050	0.000	1	111.2879	0.488	7	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6550	0.000	1	110.5655	0.016	2	111.2879	0.488	7	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4760	0.000	1	110.5655	0.016	2	111.2879	0.488	7	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2230	0.000	1	111.2230	0.000	1	111.2879	0.488	7	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1460	0.000	1	111.1460	0.000	1	111.2879	0.488	7	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6140	0.000	1	111.4550	0.051	2	111.2879	0.488	7	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2960	0.000	1	111.4550	0.051	2	111.2879	0.488	7	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.1820	0.000	1	111.1820	0.000	1	111.1506	0.055	5	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.2560	0.000	1	111.2560	0.000	1	111.1506	0.055	5	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.4710	0.000	1	111.1050	0.101	3	111.1506	0.055	5	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.9160	0.000	1	111.1050	0.101	3	111.1506	0.055	5	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.9280	0.000	1	111.1050	0.101	3	111.1506	0.055	5	110.0501	3.252	120	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H){1|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H)	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[4,5,6]C[4,6]C[5,6])	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H){2|H<1>,2|O<1>,8|C<4>}	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[4,5,6]C[4,6]C[5,6])	108.4645	1.623	2	108.4645	2.634	2	108.4645	2.634	2	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4360	0.000	1	107.4360	0.000	1	106.4344	0.796	7	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.0790	0.491	2	107.0790	0.241	2	106.4344	0.796	7	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.8820	0.000	1	106.8820	0.000	1	106.4344	0.796	7	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	105.5217	0.025	3	105.5217	0.001	3	106.4344	0.796	7	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.6490	0.000	1	109.8700	0.268	5	109.8700	0.268	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.9253	0.581	4	109.8700	0.268	5	109.8700	0.268	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]Si)	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H)	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]2)	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7220	0.000	1	107.7220	0.000	1	106.7120	2.040	2	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	105.7020	0.000	1	105.7020	0.000	1	106.7120	2.040	2	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	109.6880	0.000	1	109.6880	0.000	1	109.6880	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]2C)	103.6420	0.000	1	103.6420	0.000	1	104.3950	1.134	2	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]2C)	105.1480	0.000	1	105.1480	0.000	1	104.3950	1.134	2	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]2C)	106.2600	0.000	1	106.2600	0.000	1	109.8168	4.026	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C)	110.9080	0.000	1	110.9080	0.000	1	109.8168	4.026	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]2C)	110.6005	0.476	2	110.6005	0.226	2	109.8168	4.026	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]2C)	110.7150	0.000	1	110.7150	0.000	1	109.8168	4.026	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H)	H(C[5,6]C[5,6]3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]3)	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H){3|H<1>,7|C<4>}	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0285	1.315	2	108.0285	1.728	2	105.7521	6.810	11	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.8350	0.543	4	107.8350	0.295	4	105.7521	6.810	11	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|S<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	103.1752	1.069	5	103.1752	1.143	5	105.7521	6.810	11	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	109.5040	0.000	1	109.5040	0.000	1	108.6045	1.508	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	110.7850	0.000	1	109.3583	1.527	3	108.6045	1.508	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.6450	0.000	2	109.3583	1.527	3	108.6045	1.508	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0272	1.484	4	108.3945	1.553	10	108.6045	1.508	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0390	0.000	1	108.3945	1.553	10	108.6045	1.508	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.7594	1.229	5	108.3945	1.553	10	108.6045	1.508	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.5440	0.000	1	107.5440	0.000	1	108.6045	1.508	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	110.8930	0.072	2	110.8930	0.005	2	110.8930	0.005	2	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	106.4620	0.000	1	106.8130	0.246	2	106.6749	0.317	8	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	107.1640	0.000	1	106.8130	0.246	2	106.6749	0.317	8	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	106.5480	0.000	1	106.5480	0.000	1	106.6749	0.317	8	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	106.6450	0.692	5	106.6450	0.479	5	106.6749	0.317	8	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	109.6060	0.345	4	109.6060	0.119	4	109.6060	0.119	4	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9977	0.117	3	110.9977	0.014	3	110.9977	0.014	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){2|O<2>,6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.9150	0.000	1	110.9730	0.013	3	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0020	0.147	2	110.9730	0.013	3	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7497	0.151	3	110.7497	0.023	3	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8380	0.325	2	110.8380	0.106	2	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6790	0.000	1	110.6790	0.000	1	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4830	0.079	2	110.4830	0.006	2	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2510	0.000	1	110.2510	0.000	1	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9910	0.000	1	110.9910	0.000	1	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.3030	0.000	1	111.3030	0.000	1	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9900	0.000	1	111.3430	0.220	5	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.4313	0.491	4	111.3430	0.220	5	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.1637	0.444	3	111.2908	0.129	5	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.4815	0.035	2	111.2908	0.129	5	111.0085	0.179	24	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3850	0.000	1	110.3850	0.000	1	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3870	0.000	1	111.3870	0.000	1	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9018	0.229	5	110.9614	0.045	7	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1105	0.013	2	110.9614	0.045	7	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9570	0.000	1	110.8910	0.023	5	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9495	0.245	2	110.8910	0.023	5	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7995	0.073	2	110.8910	0.023	5	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7920	0.000	1	110.7920	0.000	1	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8740	0.000	1	110.8740	0.000	1	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.4370	0.000	1	111.4370	0.000	1	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.0850	0.000	1	111.0850	0.000	1	110.9525	0.069	18	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2240	0.000	2	107.2240	0.000	2	108.5914	0.742	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5300	0.000	1	107.5300	0.000	1	108.5914	0.742	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5190	0.000	1	109.1477	0.104	3	108.5914	0.742	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9620	0.033	2	109.1477	0.104	3	108.5914	0.742	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0012	0.496	8	109.0012	0.246	8	108.5914	0.742	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4400	0.000	1	107.4400	0.000	1	108.5914	0.742	15	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	107.3970	0.000	1	107.3970	0.000	1	109.7660	1.794	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1135	0.176	2	108.1135	0.031	2	109.7660	1.794	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4410	0.000	1	110.7160	0.125	3	109.7660	1.794	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1140	0.000	1	110.7160	0.125	3	109.7660	1.794	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5930	0.000	1	110.7160	0.125	3	109.7660	1.794	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4095	0.278	2	110.4095	0.077	2	109.7660	1.794	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5345	0.033	2	110.5345	0.001	2	109.7660	1.794	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.4250	0.000	1	107.4250	0.000	1	107.1870	4.207	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6920	0.440	2	107.6920	0.193	2	107.1870	4.207	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.3280	0.000	1	109.3280	0.000	1	107.1870	4.207	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|Si<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.7980	0.000	1	103.7980	0.000	1	107.1870	4.207	5	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8410	0.000	1	110.8410	0.000	1	110.6340	0.120	6	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9960	0.013	2	110.9960	0.000	2	110.6340	0.120	6	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.3237	0.045	3	110.3237	0.002	3	110.6340	0.120	6	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6260	0.000	1	110.6260	0.000	1	110.5873	0.006	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.6380	0.000	1	110.6380	0.000	1	110.5873	0.006	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4980	0.000	1	110.4980	0.000	1	110.5873	0.006	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3860	0.000	1	111.3860	0.000	1	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9950	0.000	1	109.9950	0.000	1	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.5740	0.000	1	104.5740	0.000	1	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5400	0.000	1	109.5400	0.000	1	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.1340	0.553	2	110.1340	0.306	2	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7850	0.000	1	106.7850	0.000	1	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	91.9011	0.000	1	91.9011	0.000	1	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5900	2.408	2	109.5900	5.800	2	107.3629	34.046	10	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1930	0.000	1	108.1930	0.000	1	107.3693	0.512	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|S<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9575	0.078	2	106.9575	0.006	2	107.3693	0.512	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0030	0.000	1	105.0030	0.000	1	107.8727	7.259	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.3480	0.000	1	110.3480	0.000	1	107.8727	7.259	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.2670	0.000	1	108.2670	0.000	1	107.8727	7.259	3	108.9493	5.879	182	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C)	107.9560	1.987	2	107.9560	3.948	2	108.4940	2.842	3	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C)	109.5700	0.000	1	109.5700	0.000	1	108.4940	2.842	3	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[5])	110.2830	0.000	1	110.2450	0.003	2	110.2450	0.003	2	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{4|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[5])	110.2070	0.000	1	110.2450	0.003	2	110.2450	0.003	2	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<3>,1|O<2>,1|S<4>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	106.0560	0.000	1	106.0560	0.000	1	106.0560	0.000	1	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2370	0.000	1	107.2370	0.000	1	108.6120	3.781	2	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9870	0.000	1	109.9870	0.000	1	108.6120	3.781	2	108.7129	2.415	11	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	110.0277	3.082	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1580	0.000	1	108.1580	0.000	1	109.2210	2.260	2	110.0277	3.082	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2840	0.000	1	110.2840	0.000	1	109.2210	2.260	2	110.0277	3.082	3	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3){3|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.1860	0.000	1	105.1860	0.000	1	105.1860	0.000	1	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C)	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.0980	0.000	1	104.0980	0.000	1	106.4510	4.155	3	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Pt<4>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6750	0.000	1	107.6750	0.000	1	106.4510	4.155	3	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5800	0.000	1	107.5800	0.000	1	106.4510	4.155	3	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5680	2.520	3	107.5680	6.351	3	107.5680	6.351	3	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5180	0.083	2	107.5180	0.007	2	107.5180	0.007	2	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2630	1.756	2	105.2630	3.085	2	104.6685	3.331	10	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9280	0.000	1	104.9280	0.000	1	104.6685	3.331	10	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0987	2.425	4	104.4594	6.455	5	104.6685	3.331	10	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	101.9020	0.000	1	104.4594	6.455	5	104.6685	3.331	10	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.4670	0.061	2	104.4670	0.004	2	104.6685	3.331	10	106.0594	5.209	21	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	108.5225	0.105	2	108.6430	0.049	3	108.5652	0.057	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	108.8840	0.000	1	108.6430	0.049	3	108.5652	0.057	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	108.3320	0.000	1	108.3320	0.000	1	108.5652	0.057	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H)	H(C[5,6]C[5,5,6,6]C[5,6]Si)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6,6]C[5,6]Si)	104.5000	0.000	1	104.5000	0.000	1	104.5000	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]B)	107.1760	0.000	1	107.1760	0.000	1	107.1760	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.7700	0.000	1	109.7700	0.000	1	109.8217	1.806	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[5,6]O)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9000	0.351	2	108.9000	0.123	2	109.8217	1.806	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CN[5]O)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	111.7170	0.000	1	111.7170	0.000	1	109.8217	1.806	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(NCH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HN)(CC3)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	104.6860	0.349	2	104.6860	0.122	2	104.6860	0.122	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[3])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[3])	108.0050	0.000	1	108.0050	0.000	1	108.5155	0.521	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	H(C[5,6]C[5,5,6]C[5,6]C[3])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[3])	109.0260	0.000	1	109.0260	0.000	1	108.5155	0.521	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]Si)	103.9480	0.000	1	103.9480	0.000	1	103.9480	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]Si)	106.5770	0.000	1	106.5770	0.000	1	106.5770	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]2)	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<3>,3|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.3640	0.000	1	106.3640	0.000	1	106.3640	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H)	H(C[5,6]C[5,6]2B[6])	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H){1|P<4>,3|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[5,6]2B[6])	104.8140	0.000	1	104.8140	0.000	1	104.8140	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:P[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H)	H(C[5,6]C[5,6]2B[6])	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H){3|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6]2B[6])	104.7230	0.000	1	104.7230	0.000	1	104.7230	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H)	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CC3)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C)	103.5920	0.000	1	103.5920	0.000	1	104.9680	1.817	3	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H)	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CCCN)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C)	105.0260	0.000	1	105.0260	0.000	1	104.9680	1.817	3	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C)	106.2860	0.000	1	106.2860	0.000	1	104.9680	1.817	3	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C)	110.2130	0.000	1	110.2130	0.000	1	110.4385	0.102	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C)	110.6640	0.000	1	110.6640	0.000	1	110.4385	0.102	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.3155	0.378	2	108.3155	0.143	2	108.3155	0.143	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	107.1660	0.000	1	107.1660	0.000	1	108.2314	1.167	9	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	107.5630	0.100	2	107.5630	0.010	2	108.2314	1.167	9	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0790	0.000	1	108.6318	1.267	6	108.2314	1.167	9	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	H(C[5,6]C[5,6]2C[5])	107.4160	0.304	2	108.6318	1.267	6	108.2314	1.167	9	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[5])	109.6135	0.088	2	108.6318	1.267	6	108.2314	1.167	9	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	H(C[5,6]C[5,6]2C[5])	109.6530	0.000	1	108.6318	1.267	6	108.2314	1.167	9	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	107.1650	0.000	1	107.1650	0.000	1	107.9126	0.327	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2220	0.000	1	108.2220	0.000	1	107.9126	0.327	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2900	0.000	1	108.3685	0.012	2	107.9126	0.327	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	108.4470	0.000	1	108.3685	0.012	2	107.9126	0.327	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	107.4390	0.000	1	107.4390	0.000	1	107.9126	0.327	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	109.9290	0.000	1	109.2460	1.242	4	109.2460	1.242	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	110.4570	0.000	1	109.2460	1.242	4	109.2460	1.242	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2990	0.000	2	109.2460	1.242	4	109.2460	1.242	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	110.8730	0.096	2	110.8730	0.009	2	109.2387	1.443	11	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	109.2242	0.383	4	109.2242	0.147	4	109.2387	1.443	11	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9420	0.000	1	107.9420	0.000	1	109.2387	1.443	11	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	109.2270	0.000	1	108.5695	0.865	2	109.2387	1.443	11	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	107.9120	0.000	1	108.5695	0.865	2	109.2387	1.443	11	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	110.5370	0.000	1	110.5370	0.000	1	109.2387	1.443	11	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.3650	0.000	1	107.3650	0.000	1	109.2387	1.443	11	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	107.9200	0.000	1	107.9200	0.000	1	108.6927	1.414	3	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.0960	0.000	1	108.0960	0.000	1	108.6927	1.414	3	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	110.0620	0.000	1	110.0620	0.000	1	108.6927	1.414	3	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9190	0.000	1	107.9923	0.054	3	108.0808	0.083	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0290	0.315	2	107.9923	0.054	3	108.0808	0.083	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.5000	0.000	1	108.2135	0.164	2	108.0808	0.083	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9270	0.000	1	108.2135	0.164	2	108.0808	0.083	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1440	0.000	1	111.1440	0.000	1	111.7495	0.733	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3550	0.000	1	112.3550	0.000	1	111.7495	0.733	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.8790	0.000	1	108.8790	0.000	1	107.9005	1.915	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9220	0.000	1	106.9220	0.000	1	107.9005	1.915	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6510	0.319	4	106.6510	0.102	4	106.2150	0.751	7	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8050	0.000	1	106.1410	0.882	2	106.2150	0.751	7	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4770	0.000	1	106.1410	0.882	2	106.2150	0.751	7	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.6190	0.000	1	104.6190	0.000	1	106.2150	0.751	7	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6150	0.436	2	110.6150	0.190	2	110.6150	0.190	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2710	0.000	1	107.4430	0.059	2	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6150	0.000	1	107.4430	0.059	2	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9051	0.234	8	105.9051	0.055	8	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1510	0.000	1	108.1510	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5620	0.000	1	108.5620	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1850	0.000	1	108.1850	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2280	0.000	1	109.2280	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0970	0.000	1	110.0970	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3970	0.000	1	108.3970	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|N<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0810	0.000	1	110.0810	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5000	0.000	1	108.7380	1.161	2	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9760	0.000	1	108.7380	1.161	2	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8270	0.000	1	109.5055	0.207	2	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1840	0.000	1	109.5055	0.207	2	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8380	0.000	1	110.8380	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8300	1.006	3	108.8300	1.011	3	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9820	0.000	1	107.9820	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7180	0.000	1	109.7180	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8280	0.000	1	108.2720	1.264	5	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6765	1.859	2	108.2720	1.264	5	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8000	0.000	1	108.2720	1.264	5	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3790	0.000	1	108.2720	1.264	5	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9960	1.905	2	108.7649	1.742	8	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1590	0.000	1	108.7649	1.742	8	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1310	0.974	3	108.7649	1.742	8	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7875	0.490	2	108.7649	1.742	8	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2840	0.000	1	109.1775	1.778	4	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8087	1.360	3	109.1775	1.778	4	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0070	0.000	1	109.0070	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3750	0.355	2	110.3750	0.126	2	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6420	0.000	1	110.6420	0.000	1	108.4361	2.393	48	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.8420	0.000	1	105.8420	0.000	1	105.8420	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9590	0.000	1	110.0755	0.027	2	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1920	0.000	1	110.0755	0.027	2	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7370	0.000	1	107.7370	0.000	1	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1160	0.000	1	108.1160	0.000	1	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1130	0.133	3	108.1130	0.018	3	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8915	0.704	2	107.8915	0.495	2	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|S<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2490	0.066	3	110.2490	0.004	3	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8420	0.000	1	110.8420	0.000	1	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0530	0.000	1	108.0530	0.000	1	108.9834	1.465	14	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4075	1.784	2	108.4075	3.183	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|W<7>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4555	2.744	2	109.4555	7.531	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4870	0.000	1	107.4790	0.000	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4710	0.000	1	107.4790	0.000	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7020	0.000	1	106.7020	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4270	0.000	1	107.4270	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|F<1>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7070	0.000	1	106.7070	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8010	0.000	1	108.8140	0.000	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8270	0.000	1	108.8140	0.000	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6670	0.000	1	107.7547	0.144	11	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9950	0.000	1	107.7547	0.144	11	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8080	0.115	2	107.7547	0.144	11	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0540	0.000	1	107.7547	0.144	11	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8214	0.119	5	107.7547	0.144	11	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|Cl<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8630	0.000	1	107.7547	0.144	11	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6595	1.611	2	108.6595	2.597	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3770	0.000	1	107.3245	0.006	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2720	0.000	1	107.3245	0.006	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0860	0.000	1	109.0860	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5970	0.000	1	111.5970	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|W<7>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9530	0.000	1	108.9530	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H){3|C<3>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9860	0.000	1	107.9860	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4290	0.000	1	106.4290	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6960	0.208	2	107.6960	0.043	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H){1|C<4>,1|S<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2960	0.000	1	110.2960	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7900	0.000	1	107.7900	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1040	0.025	2	108.1040	0.001	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0215	0.510	2	107.0215	0.260	2	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9880	0.000	1	107.9880	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4920	0.000	1	109.4920	0.000	1	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7270	1.338	3	109.7270	1.790	3	108.2013	1.524	44	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H){1|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:Si[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8810	0.000	1	106.8810	0.000	1	107.5648	0.309	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7927	0.391	3	107.7927	0.153	3	107.5648	0.309	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7810	0.000	1	110.7810	0.000	1	110.7925	0.000	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8040	0.000	1	110.8040	0.000	1	110.7925	0.000	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2730	0.000	1	108.2730	0.000	1	108.9590	0.941	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6450	0.000	1	109.6450	0.000	1	108.9590	0.941	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6530	0.088	2	108.6530	0.008	2	108.0048	0.945	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7760	0.000	1	108.7760	0.000	1	108.0048	0.945	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9710	0.448	2	106.9710	0.201	2	108.0048	0.945	5	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1150	0.000	1	108.1150	0.000	1	108.2818	0.144	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5025	0.482	2	108.5025	0.232	2	108.2818	0.144	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0070	0.000	1	108.0070	0.000	1	108.2818	0.144	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3900	0.000	1	108.3900	0.000	1	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0170	0.092	2	107.0170	0.008	2	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2500	0.127	2	108.2500	0.016	2	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|F<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3520	0.000	1	108.3520	0.000	1	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.6400	0.000	1	107.6400	0.000	1	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8020	0.000	1	108.1976	0.112	5	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2965	0.289	4	108.1976	0.112	5	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7180	0.061	3	108.7180	0.004	3	108.1372	0.314	15	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2060	0.000	1	109.2060	0.000	1	107.6635	4.759	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1210	0.000	1	106.1210	0.000	1	107.6635	4.759	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:Cl-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0280	0.123	2	108.0280	0.015	2	108.0280	0.015	2	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4270	0.042	2	107.4270	0.002	2	107.1148	1.111	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5900	0.000	1	105.5900	0.000	1	107.1148	1.111	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0150	0.000	1	108.0150	0.000	1	107.1148	1.111	4	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0263	0.093	3	108.0263	0.009	3	108.0263	0.009	3	108.2657	2.347	248	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH){3|H<1>,6|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.8570	0.000	1	106.8570	0.000	1	106.8570	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	104.7710	0.000	1	104.7710	0.000	1	104.7710	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H){1|C<4>,1|N<2>,2|C<2>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]2C)	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6280	0.000	1	106.6280	0.000	1	108.7877	1.278	6	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6640	0.000	1	109.2196	0.198	5	108.7877	1.278	6	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1085	0.426	4	109.2196	0.198	5	108.7877	1.278	6	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7400	0.000	1	106.7400	0.000	1	105.8660	1.528	2	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.9920	0.000	1	104.9920	0.000	1	105.8660	1.528	2	107.9493	4.212	16	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.0887	1.635	3	106.0887	2.673	3	106.0887	2.673	3	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2C)	110.5865	0.442	2	110.5865	0.195	2	110.5865	0.195	2	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO){1|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9670	0.000	1	110.9670	0.000	1	108.6259	0.949	9	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3923	0.452	7	108.3923	0.205	7	108.6259	0.949	9	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9200	0.000	1	107.9200	0.000	1	108.6259	0.949	9	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.1280	0.000	1	104.1280	0.000	1	104.1280	0.000	1	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4880	0.260	3	108.5195	0.049	4	108.5195	0.049	4	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6140	0.000	1	108.5195	0.049	4	108.5195	0.049	4	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8537	0.279	3	106.2385	0.644	4	106.2385	0.644	4	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3930	0.000	1	106.2385	0.644	4	106.2385	0.644	4	107.8711	3.114	24	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	106.2640	0.000	1	106.2640	0.000	1	106.9835	1.035	2	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	107.7030	0.000	1	107.7030	0.000	1	106.9835	1.035	2	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,2|S<2>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	106.0660	0.000	1	106.0660	0.000	1	106.0660	0.000	1	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4100	0.000	1	107.7220	0.947	2	107.7220	0.947	2	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0340	0.000	1	107.7220	0.947	2	107.7220	0.947	2	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5500	0.000	1	109.5500	0.000	1	107.9053	0.774	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7215	0.227	2	107.7215	0.052	2	107.9053	0.774	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8240	0.000	1	107.8240	0.000	1	107.9053	0.774	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7090	0.000	1	107.7090	0.000	1	107.9053	0.774	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9060	0.000	1	106.9060	0.000	1	107.9053	0.774	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2835	0.066	2	108.2835	0.004	2	108.2835	0.004	2	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.0800	0.000	1	103.8785	0.081	2	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.6770	0.000	1	103.8785	0.081	2	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5080	0.000	1	107.4003	0.010	3	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3465	0.042	2	107.4003	0.010	3	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9540	0.000	1	108.9540	0.000	1	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	102.4620	0.000	1	102.4620	0.000	1	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9810	0.000	1	109.9810	0.000	1	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6065	1.344	4	108.6065	1.806	4	107.1484	6.258	12	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3){3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4680	0.269	2	105.4680	0.072	2	106.2224	0.268	8	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3890	0.013	2	106.4738	0.057	6	106.2224	0.268	8	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5162	0.297	4	106.4738	0.057	6	106.2224	0.268	8	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9590	0.000	1	105.9590	0.000	1	106.1650	0.092	3	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5140	0.000	1	106.2680	0.121	2	106.1650	0.092	3	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0220	0.000	1	106.2680	0.121	2	106.1650	0.092	3	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4000	0.000	1	108.4000	0.000	1	106.4215	2.291	4	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.7360	0.000	1	105.4090	0.906	2	106.4215	2.291	4	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0820	0.000	1	105.4090	0.906	2	106.4215	2.291	4	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4680	0.000	1	106.4680	0.000	1	106.4215	2.291	4	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0310	0.412	2	108.4922	14.276	6	108.4922	14.276	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.7893	5.521	3	108.4922	14.276	6	108.4922	14.276	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5230	0.000	1	108.4922	14.276	6	108.4922	14.276	6	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8740	0.000	1	105.6337	0.744	4	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1300	0.000	1	105.6337	0.744	4	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2655	0.409	2	105.6337	0.744	4	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5160	0.000	1	107.5160	0.000	1	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5810	0.000	1	107.5810	0.000	1	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6980	0.000	1	105.6980	0.000	1	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5060	0.000	1	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2830	0.000	1	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2750	0.000	1	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1590	0.000	1	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8422	1.580	5	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6895	0.231	2	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4896	0.277	5	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.8500	2.671	2	105.6645	1.867	18	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6185	0.201	4	105.4228	0.222	5	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.6400	0.000	1	105.4228	0.222	5	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9460	0.120	2	105.9460	0.014	2	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1830	0.897	2	106.1873	0.402	3	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1960	0.000	1	106.1873	0.402	3	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0053	0.190	3	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9130	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2280	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8300	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4080	0.204	3	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0175	0.476	33	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7735	0.396	4	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8710	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5575	0.163	2	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2790	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.7170	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6000	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2950	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8720	0.000	1	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3190	0.093	2	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7459	0.240	8	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4283	1.760	55	106.1831	1.575	119	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7460	0.129	2	105.5203	0.161	3	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0690	0.000	1	105.5203	0.161	3	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3920	0.000	1	106.0945	0.177	2	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7970	0.000	1	106.0945	0.177	2	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3890	0.000	1	106.0150	0.784	2	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6410	0.000	1	106.0150	0.784	2	106.0834	1.473	161	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	106.3610	2.318	211	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6]C[6])	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,6]C[6])	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5,6]C[3,5]C[5,6]2)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H){4|H<1>,7|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[3,5]C[5,6]2)	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[3,5]C[5,6]2)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H){4|H<1>,7|C<4>}	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[3,5]C[5,6]2)	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	107.7150	0.011	2	107.7150	0.000	2	107.7150	0.000	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H){3|H<1>,7|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.8030	0.355	2	106.8030	0.126	2	106.8030	0.126	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.3960	0.000	1	107.3960	0.000	1	107.0727	0.079	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.9110	0.017	2	106.9110	0.000	2	107.0727	0.079	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H)	H(C[5,6]C[5,5,6]2C[5,6])	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]2C[5,6])	106.7860	0.000	1	106.7860	0.000	1	106.7860	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H)	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]B)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|O<2>}	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.6860	0.281	2	107.6860	0.079	2	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.7767	0.310	3	107.7767	0.096	3	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4530	0.151	2	107.7922	0.161	4	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){4|Cl<1>,1|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){4|Cl<1>,1|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.1315	0.009	2	107.7922	0.161	4	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){2|Cl<1>,1|C<3>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){2|Cl<1>,1|C<3>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.6942	2.261	4	107.7418	3.545	12	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){4|Cl<1>,1|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){4|Cl<1>,1|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.2656	1.613	8	107.7418	3.545	12	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H){1|Br<1>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H){1|Br<1>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.9750	2.134	2	108.9750	4.554	2	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.4220	0.000	1	107.4220	0.000	1	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	105.1720	0.000	1	105.1720	0.000	1	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.5930	0.494	2	106.5930	0.244	2	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.0955	0.105	4	108.0955	0.011	4	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1040	0.000	1	109.1040	0.000	1	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H){1|Br<1>,1|C<3>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	112.5570	1.420	2	112.5570	2.016	2	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.8550	0.000	1	109.8550	0.000	1	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.2270	0.239	2	108.2270	0.057	2	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.3170	0.042	2	109.3170	0.002	2	108.1550	2.922	39	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.3230	1.571	2	107.3230	2.469	2	107.9207	2.306	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C)	109.1160	0.000	1	109.1160	0.000	1	107.9207	2.306	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	108.7250	0.000	1	107.9985	1.056	2	107.9985	1.056	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	107.2720	0.000	1	107.9985	1.056	2	107.9985	1.056	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	111.3040	0.000	1	111.3040	0.000	1	111.3040	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.1550	0.000	2	108.1550	0.000	2	108.1550	0.000	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N)	109.9310	5.416	2	109.9310	29.338	2	109.9310	29.338	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H){1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	110.6995	0.462	2	110.6995	0.213	2	111.0960	0.578	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]P)	111.8890	0.000	1	111.8890	0.000	1	111.0960	0.578	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H)	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(PC[6a]2Ru)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]P)	103.7840	2.823	2	103.7840	7.968	2	103.7840	7.968	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(SCOO)(H){1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]S)	112.6432	3.241	4	112.6432	10.506	4	112.6432	10.506	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7270	0.000	1	108.3777	1.610	4	107.4876	3.940	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.2610	0.000	1	108.3777	1.610	4	107.4876	3.940	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7615	0.316	2	108.3777	1.610	4	107.4876	3.940	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.2340	0.000	1	107.2340	0.000	1	107.4876	3.940	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.0820	0.000	1	108.0820	0.000	1	107.4876	3.940	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]C[6])	103.5860	0.000	1	103.5860	0.000	1	107.4876	3.940	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C)	109.7610	0.254	3	109.7610	0.065	3	109.7965	0.048	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[5,6]C)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6,6]C[5,6]C)	109.9030	0.000	1	109.9030	0.000	1	109.7965	0.048	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H){4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]PtH)(H){4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	108.2218	0.210	4	108.2218	0.044	4	108.2218	0.044	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	108.1910	0.000	1	108.0775	0.026	2	108.0775	0.026	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.9640	0.000	1	108.0775	0.026	2	108.0775	0.026	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:B[5]-4:C[6]-4:H-1:	C[5,6]-4:P[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]B[5]C[6])	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]B[5]C[6])	107.3615	0.346	4	107.3615	0.120	4	107.3615	0.120	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C)	115.2440	0.000	1	110.5940	43.245	2	110.7207	21.671	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C)	105.9440	0.000	1	110.5940	43.245	2	110.7207	21.671	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){4|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C)	110.9740	0.000	1	110.9740	0.000	1	110.7207	21.671	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]2C)	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C)	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]3)	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H){4|H<1>,7|C<4>}	H(C[5,6]C[5,6]2C[5])	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H){3|H<1>,7|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	107.8985	0.790	2	107.8985	0.624	2	107.8985	0.624	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	126.4550	0.000	1	123.6940	15.246	2	119.4663	61.243	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	120.9330	0.000	1	123.6940	15.246	2	119.4663	61.243	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	111.0110	0.000	1	111.0110	0.000	1	119.4663	61.243	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	108.8140	0.000	1	108.8140	0.000	1	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	97.7298	0.000	1	99.8359	8.871	2	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	101.9420	0.000	1	99.8359	8.871	2	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.5630	0.000	1	108.5630	0.000	1	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[5])	109.7715	2.992	2	109.7715	8.951	2	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.1640	0.000	1	107.8065	0.272	4	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.6873	0.569	3	107.8065	0.272	4	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	106.5230	0.000	1	107.3280	1.296	2	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.1330	0.000	1	107.3280	1.296	2	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	106.2760	0.000	1	106.2760	0.000	1	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	106.5680	1.512	2	106.5680	2.286	2	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.9260	0.000	1	108.9260	0.000	1	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	110.5270	0.000	1	109.0443	1.649	3	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.3030	0.000	2	109.0443	1.649	3	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	109.9770	0.000	1	109.9770	0.000	1	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	110.6440	0.000	1	109.3460	1.264	3	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.6970	0.000	2	109.3460	1.264	3	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2950	1.539	4	108.2950	2.368	4	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[5])	108.2380	0.000	1	108.2380	0.000	1	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.9630	0.000	1	109.2082	0.136	4	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	109.2900	0.404	3	109.2082	0.136	4	107.9441	6.576	32	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.5290	0.000	1	108.5290	0.000	1	107.9183	0.299	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6]2C[5])	107.6130	0.198	2	107.6130	0.039	2	107.9183	0.299	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[5])	108.4460	0.552	2	108.4460	0.304	2	108.4460	0.304	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	106.7710	0.000	1	106.7710	0.000	1	107.2092	0.548	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.0750	0.000	1	107.6903	0.569	3	107.2092	0.548	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.9980	0.755	2	107.6903	0.569	3	107.2092	0.548	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2C[5])	106.7065	0.457	2	106.7065	0.209	2	107.2092	0.548	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H){4|H<1>,7|C<4>}	H(C[5,6]C[5,6]2C[6])	106.2230	0.000	1	106.2230	0.000	1	106.2230	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]2C[6])	103.8430	0.000	1	104.2220	0.287	2	104.2220	0.287	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	104.6010	0.000	1	104.2220	0.287	2	104.2220	0.287	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	106.0690	0.000	1	106.0690	0.000	1	107.1173	7.002	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,9|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	107.6415	3.515	2	107.6415	12.355	2	107.1173	7.002	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	108.5790	0.951	3	108.5790	0.905	3	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	110.8700	0.287	2	110.8700	0.082	2	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.1160	0.000	1	108.1160	0.000	1	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	109.9900	0.000	1	109.9900	0.000	1	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	109.3320	0.000	1	107.9763	1.258	6	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[6])	106.1820	0.000	1	107.9763	1.258	6	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[6])	107.5440	0.089	2	107.9763	1.258	6	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	108.6280	0.042	2	107.9763	1.258	6	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	107.2960	0.000	1	107.2960	0.000	1	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	111.9430	0.000	1	111.9430	0.000	1	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	H(C[5,6]C[5,6]2C[6])	109.2343	0.368	3	109.2343	0.136	3	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	109.1947	0.422	3	109.1947	0.178	3	108.9508	1.809	21	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	107.9200	0.000	1	107.9200	0.000	1	108.3157	0.915	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	109.2657	0.374	4	109.2657	0.140	4	108.3157	0.915	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	107.8740	0.000	1	107.8740	0.000	1	108.3157	0.915	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.2620	0.000	1	107.2620	0.000	1	108.3157	0.915	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.3610	0.051	2	107.3610	0.003	2	108.3157	0.915	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	106.1960	0.000	1	107.1090	0.627	3	108.2326	1.466	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	107.5655	0.054	2	107.1090	0.627	3	108.2326	1.466	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	109.6870	0.000	1	109.0752	0.305	4	108.2326	1.466	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	109.3970	0.000	1	109.0752	0.305	4	108.2326	1.466	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	108.6085	0.046	2	109.0752	0.305	4	108.2326	1.466	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6850	0.000	1	106.6850	0.000	1	106.6850	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0580	0.000	2	108.0580	0.000	2	108.0580	0.000	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8880	0.107	2	109.5358	0.535	5	109.0380	0.792	8	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6140	0.000	1	109.5358	0.535	5	109.0380	0.792	8	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2590	0.000	1	109.5358	0.535	5	109.0380	0.792	8	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0300	0.000	1	109.5358	0.535	5	109.0380	0.792	8	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.2300	0.000	1	108.2300	0.000	1	109.0380	0.792	8	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9750	0.000	1	107.9750	0.000	1	109.0380	0.792	8	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4200	0.000	1	108.4200	0.000	1	109.0380	0.792	8	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.7870	0.000	1	110.7870	0.000	1	110.9588	0.139	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0160	0.435	3	111.0160	0.189	3	110.9588	0.139	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3055	0.904	2	109.3055	0.818	2	109.3055	0.818	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1600	0.000	1	106.1600	0.000	1	106.4192	0.920	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0637	0.770	4	106.0637	0.593	4	106.4192	0.920	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1710	0.000	1	105.1710	0.000	1	106.4192	0.920	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1760	0.000	1	107.1760	0.000	1	106.4192	0.920	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5055	0.718	2	107.5055	0.515	2	106.4192	0.920	9	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7300	0.000	1	107.7300	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0260	0.000	1	108.0260	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1080	0.000	1	109.5545	4.827	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0010	0.000	1	109.5545	4.827	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5680	0.717	2	105.5680	0.514	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.0990	0.000	1	108.0990	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6410	0.000	1	107.6410	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4850	0.956	2	107.4850	0.914	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2200	0.000	1	108.2200	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1830	0.000	1	109.5190	0.226	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8550	0.000	1	109.5190	0.226	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0700	1.182	2	109.0700	1.398	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7030	0.000	1	110.7030	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1340	0.000	1	107.1340	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3190	0.000	1	108.3190	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0330	0.000	1	109.0330	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9490	0.000	1	109.9490	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8093	0.172	3	108.8093	0.030	3	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6710	0.000	1	108.3420	0.891	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2080	0.000	1	108.3420	0.891	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7140	0.000	1	108.3420	0.891	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7750	0.000	1	108.3420	0.891	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1770	0.000	1	108.1770	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3520	0.000	1	107.9410	0.334	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4420	0.000	1	107.9410	0.334	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7720	0.000	1	107.9410	0.334	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1980	0.000	1	107.9410	0.334	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9560	0.000	1	107.9560	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8980	1.492	2	108.6987	0.531	6	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3760	0.247	2	108.6987	0.531	6	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8220	0.225	2	108.6987	0.531	6	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0660	0.000	1	108.0660	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2040	0.000	1	110.2040	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3480	0.000	1	110.3480	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7940	0.000	1	107.7940	0.000	1	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4430	1.741	2	109.4430	3.031	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7630	2.075	4	108.7630	4.306	4	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9110	0.192	2	106.9110	0.037	2	108.4569	1.634	51	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8040	1.164	7	108.8040	1.356	7	108.8040	1.356	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5670	0.098	2	108.5670	0.010	2	108.5670	0.010	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.5060	0.000	1	108.5060	0.000	1	108.8340	0.215	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1620	0.000	1	109.1620	0.000	1	108.8340	0.215	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3300	0.000	1	109.3300	0.000	1	109.3640	0.002	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3980	0.000	1	109.3980	0.000	1	109.3640	0.002	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.2985	0.261	2	108.2985	0.068	2	108.3646	0.829	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9660	0.000	1	108.1465	0.065	2	108.3646	0.829	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3270	0.000	1	108.1465	0.065	2	108.3646	0.829	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0840	0.000	1	108.0840	0.000	1	108.3646	0.829	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2550	0.000	1	110.2550	0.000	1	108.3646	0.829	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3230	0.000	1	107.3230	0.000	1	108.3646	0.829	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.5266	0.877	7	109.5266	0.769	7	109.5266	0.769	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,6|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9120	0.082	2	105.9120	0.007	2	105.9120	0.007	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8840	0.000	1	106.9377	0.005	3	107.2079	0.781	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9645	0.078	2	106.9377	0.005	3	107.2079	0.781	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6700	0.000	1	107.4105	1.431	4	107.2079	0.781	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2020	0.000	1	107.4105	1.431	4	107.2079	0.781	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.3850	0.621	2	107.4105	1.431	4	107.2079	0.781	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.0595	0.018	2	103.0595	0.000	2	103.0595	0.000	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8040	0.000	1	109.8040	0.000	1	110.5427	0.458	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9120	0.311	2	110.9120	0.097	2	110.5427	0.458	3	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.9630	0.000	1	104.9630	0.000	1	105.8933	3.162	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5200	0.332	2	107.5200	0.110	2	105.8933	3.162	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0130	0.000	1	105.1190	3.872	3	105.8933	3.162	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.1720	1.537	2	105.1190	3.872	3	105.8933	3.162	6	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1780	0.000	1	106.1780	0.000	1	106.2350	0.006	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2920	0.000	1	106.2920	0.000	1	106.2350	0.006	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0435	0.252	2	107.0435	0.064	2	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2760	0.296	2	110.2760	0.087	2	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0340	0.000	1	107.0340	0.000	1	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6840	0.000	1	106.6840	0.000	1	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5380	0.090	8	107.5380	0.008	8	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6530	0.000	1	108.6530	0.000	1	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8610	0.274	6	108.8610	0.075	6	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4607	0.051	3	108.4607	0.003	3	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9407	0.130	3	107.9407	0.017	3	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1580	0.000	1	108.1580	0.000	1	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4890	0.000	1	108.4890	0.000	1	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2730	0.000	1	108.2730	0.000	1	108.1535	0.770	30	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7830	0.000	1	106.7830	0.000	1	107.5475	1.169	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3120	0.000	1	108.3120	0.000	1	107.5475	1.169	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	116.3910	0.000	1	116.3910	0.000	1	111.4515	48.797	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5120	0.000	1	106.5120	0.000	1	111.4515	48.797	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5550	0.000	1	106.5550	0.000	1	107.9940	1.002	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0640	0.000	1	109.0640	0.000	1	107.9940	1.002	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3210	0.000	1	108.3210	0.000	1	107.9940	1.002	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0150	0.827	2	108.0150	0.684	2	107.9940	1.002	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	106.6870	0.000	1	106.6870	0.000	1	108.3915	5.811	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.0960	0.000	1	110.0960	0.000	1	108.3915	5.811	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H)	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H){2|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	106.0805	0.190	2	106.0805	0.036	2	106.0805	0.036	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.5890	0.000	1	107.5890	0.000	1	108.5045	1.676	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.4200	0.000	1	109.4200	0.000	1	108.5045	1.676	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:P[5]-4:C[6]-4:H-1:	C[5,6]-4:B[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6]P[5])	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[6]P[5])	107.9790	0.176	4	107.9790	0.031	4	107.9790	0.031	4	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4040	0.008	2	107.4040	0.000	2	107.5463	0.504	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6420	0.000	1	106.6420	0.000	1	107.5463	0.504	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1920	0.000	1	107.1920	0.000	1	107.5463	0.504	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4850	0.000	1	107.6105	0.032	2	107.5463	0.504	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7360	0.000	1	107.6105	0.032	2	107.5463	0.504	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9610	0.000	1	108.9610	0.000	1	107.5463	0.504	7	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0130	0.000	1	109.0130	0.000	1	107.0060	8.056	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9990	0.000	1	104.9990	0.000	1	107.0060	8.056	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[6,6]N[5])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]N[5])	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6230	0.000	1	108.6230	0.000	1	108.3026	0.146	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9765	0.391	2	107.9765	0.153	2	108.3026	0.146	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6440	0.000	1	108.6440	0.000	1	108.3026	0.146	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2930	0.000	1	108.2930	0.000	1	108.3026	0.146	5	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[3x5]C[6])	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]N[3x5]C[6])	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	N[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H){2|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.7070	0.157	2	108.7070	0.025	2	108.7070	0.025	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	H(C[5,6]P[5,5,6]C[5,6]C)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[5,6]P[5,5,6]C[5,6]C)	108.8690	0.000	1	108.9310	0.008	2	108.9310	0.008	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	H(C[5,6]P[5,5,6]C[5,6]C)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[5,6]P[5,5,6]C[5,6]C)	108.9930	0.000	1	108.9310	0.008	2	108.9310	0.008	2	108.3067	4.524	407	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	105.4660	0.000	1	105.4660	0.000	1	105.4660	0.000	1	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	104.0120	0.000	1	104.0120	0.000	1	104.0120	0.000	1	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	104.6290	0.000	1	104.6290	0.000	1	104.8295	0.080	2	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[5])	105.0300	0.000	1	105.0300	0.000	1	104.8295	0.080	2	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	107.5025	0.182	2	107.5025	0.033	2	107.5025	0.033	2	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	108.5753	0.936	3	108.5753	0.876	3	107.9023	2.396	4	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	105.8830	0.000	1	105.8830	0.000	1	107.9023	2.396	4	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5])	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5]){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	107.3410	0.037	2	107.3410	0.001	2	107.3410	0.001	2	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5]){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[5])	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4680	0.000	1	109.4680	0.000	1	108.6540	1.325	2	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8400	0.000	1	107.8400	0.000	1	108.6540	1.325	2	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC){1|O<1>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9310	0.000	1	110.9310	0.000	1	110.3927	0.714	3	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4190	0.000	1	109.4190	0.000	1	110.3927	0.714	3	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8280	0.000	1	110.8280	0.000	1	110.3927	0.714	3	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4870	0.235	2	106.4870	0.055	2	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4470	0.000	1	106.5440	2.407	2	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6410	0.000	1	106.5440	2.407	2	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3920	0.000	1	107.3920	0.000	1	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2610	0.000	1	106.2610	0.000	1	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0045	0.011	2	110.0045	0.000	2	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0930	0.000	1	106.0930	0.000	1	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6150	0.000	1	109.6150	0.000	1	107.5432	2.985	10	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0780	0.000	1	107.0780	0.000	1	106.8473	0.069	3	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7320	0.242	2	106.7320	0.058	2	106.8473	0.069	3	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0570	0.424	2	105.0570	0.180	2	106.1150	3.448	3	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.2310	0.000	1	108.2310	0.000	1	106.1150	3.448	3	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4690	0.000	1	107.4690	0.000	1	107.4690	0.000	1	107.5393	3.376	38	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	105.8210	0.000	1	105.8210	0.000	1	108.8330	2.898	5	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	109.5860	0.289	4	109.5860	0.084	4	108.8330	2.898	5	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,9|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	104.5675	2.170	2	104.5675	4.709	2	104.5675	4.709	2	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3690	0.133	2	107.3690	0.018	2	106.6775	2.058	10	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.8137	0.159	3	105.8137	0.025	3	106.6775	2.058	10	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.2070	0.000	1	104.2070	0.000	1	106.6775	2.058	10	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5880	0.000	1	105.5880	0.000	1	106.6775	2.058	10	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8250	0.000	1	107.8250	0.000	1	106.6775	2.058	10	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2700	0.000	1	108.2700	0.000	1	106.6775	2.058	10	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7060	0.000	1	108.7060	0.000	1	106.6775	2.058	10	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.8730	0.000	1	105.8730	0.000	1	105.8730	0.000	1	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.3830	0.293	2	105.5390	0.116	3	105.5390	0.116	3	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.8510	0.000	1	105.5390	0.116	3	105.5390	0.116	3	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8080	0.218	2	106.8080	0.047	2	106.4507	0.661	6	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8530	0.074	2	105.8530	0.005	2	106.4507	0.661	6	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6500	0.000	1	105.6500	0.000	1	106.4507	0.661	6	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7320	0.000	1	107.7320	0.000	1	106.4507	0.661	6	106.7137	2.896	27	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	106.1307	2.157	3	106.1307	4.653	3	106.1307	4.653	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	103.9490	0.000	1	104.2030	0.129	2	104.2030	0.129	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,2|C<4>,3|O<2>,7|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.4570	0.000	1	104.2030	0.129	2	104.2030	0.129	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3)	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	103.2360	0.000	1	103.2360	0.000	1	103.2360	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	105.4760	0.000	1	105.4760	0.000	1	105.4760	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){3|H<1>,4|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.9020	0.000	1	107.9020	0.000	1	107.1190	1.226	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,8|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	106.3360	0.000	1	106.3360	0.000	1	107.1190	1.226	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3x6]C[5,6]C[5])	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[3x6]C[5,6]C[5])	106.2810	0.277	2	106.2810	0.077	2	106.2810	0.077	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[4x6]C[5,6]C[5])	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[4x6]C[5,6]C[5])	104.5160	0.000	1	104.5160	0.000	1	104.5160	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,3x6]C[5,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6]C[5])	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,5,6,6]C[5,6]C[5])	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]C[5])	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.3570	0.000	1	106.3570	0.000	1	106.5015	0.042	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2	H(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C)	106.6460	0.000	1	106.6460	0.000	1	106.5015	0.042	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	105.3430	0.000	1	105.3430	0.000	1	105.3430	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	104.9290	0.091	2	104.9290	0.008	2	104.9188	0.039	6	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	105.2580	0.000	1	104.9137	0.062	4	104.9188	0.039	6	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	104.7990	0.116	3	104.9137	0.062	4	104.9188	0.039	6	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	114.3670	0.000	1	114.3670	0.000	1	112.6455	5.927	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.9240	0.000	1	110.9240	0.000	1	112.6455	5.927	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	94.3219	0.000	1	94.3219	0.000	1	102.4253	49.890	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	105.6760	0.000	1	105.6760	0.000	1	102.4253	49.890	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.2780	0.000	1	107.2780	0.000	1	102.4253	49.890	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6,6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6,6])	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.5780	0.000	1	105.5780	0.000	1	105.5780	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.3120	0.000	1	105.8847	0.246	3	106.0595	0.286	4	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.1710	0.000	2	105.8847	0.246	3	106.0595	0.286	4	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.5840	0.000	1	106.5840	0.000	1	106.0595	0.286	4	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.9860	0.000	1	106.9860	0.000	1	107.0145	0.002	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.0430	0.000	1	107.0430	0.000	1	107.0145	0.002	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	H(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C)	108.0025	1.971	2	108.0025	3.884	2	108.0025	3.884	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.2730	0.083	2	107.2730	0.007	2	107.2730	0.007	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,9|H<1>}	H(C[5,6]C[5,6]2C[5])	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	107.1270	0.000	1	107.1270	0.000	1	104.9523	2.336	9	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	105.8295	1.661	2	105.8295	2.759	2	104.9523	2.336	9	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[5])	104.6390	0.000	1	104.6390	0.000	1	104.9523	2.336	9	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|S<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]2C[5])	104.2292	1.318	5	104.2292	1.737	5	104.9523	2.336	9	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<4>,8|H<1>}	H(C[5,6]C[5,6]2C[6])	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	104.5660	0.000	1	104.2410	0.211	2	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	103.9160	0.000	1	104.2410	0.211	2	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	106.0445	0.121	2	106.0445	0.015	2	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	107.9110	0.000	1	107.9110	0.000	1	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[6])	106.1620	0.000	1	106.6845	0.546	2	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	107.2070	0.000	1	106.6845	0.546	2	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2C[6])	106.4120	0.000	1	106.4120	0.000	1	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	106.6250	0.000	1	106.6250	0.000	1	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]2C[6])	106.4767	0.663	6	106.4767	0.440	6	106.2499	1.053	15	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9650	0.000	1	106.9650	0.000	1	106.1107	1.770	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.5780	0.000	1	104.5780	0.000	1	106.1107	1.770	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7890	0.000	1	106.7890	0.000	1	106.1107	1.770	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2450	0.000	1	105.2450	0.000	1	105.2450	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6550	0.000	1	110.6550	0.000	1	110.0927	1.077	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{2|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7280	0.000	1	110.7280	0.000	1	110.0927	1.077	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8950	0.000	1	108.8950	0.000	1	110.0927	1.077	3	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.0815	0.588	2	105.4393	0.557	3	105.4531	1.338	8	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1550	0.000	1	105.4393	0.557	3	105.4531	1.338	8	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.3820	0.246	2	104.3820	0.061	2	105.4531	1.338	8	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.4960	0.000	1	104.4960	0.000	1	105.4531	1.338	8	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0235	0.227	2	107.0235	0.052	2	105.4531	1.338	8	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8670	0.000	1	107.8670	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5460	0.267	2	105.5337	0.036	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5090	0.000	1	105.5337	0.036	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2250	0.622	2	105.2250	0.387	2	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.0030	0.000	1	103.0030	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1960	0.000	1	105.1960	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1010	0.000	1	107.3763	0.409	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0140	0.177	2	107.3763	0.409	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.9270	0.000	1	104.4140	0.184	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.6575	0.114	2	104.4140	0.184	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6570	0.000	1	107.6570	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.7220	0.000	1	103.7220	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6440	0.000	1	106.6440	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.4845	0.122	2	105.4845	0.015	2	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.4850	0.000	1	108.1423	14.174	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9710	0.246	2	108.1423	14.174	3	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9530	0.366	2	106.9530	0.134	2	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH){1|C<4>,1|O<1>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7530	0.000	1	107.7530	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8130	0.000	1	107.8130	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2990	0.000	1	107.2990	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|N<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3350	0.000	1	109.3350	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0890	0.000	1	106.2800	0.073	2	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4710	0.000	1	106.2800	0.073	2	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.6360	0.000	1	103.4475	2.825	2	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.2590	0.000	1	103.4475	2.825	2	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8435	0.299	2	108.2673	0.981	4	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6910	1.461	2	108.2673	0.981	4	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.4500	0.000	1	103.4500	0.000	1	106.3240	4.005	37	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|N<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.7470	0.000	1	104.7470	0.000	1	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8912	0.128	5	106.7172	0.087	10	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5432	0.323	5	106.7172	0.087	10	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8782	0.306	14	106.8782	0.094	14	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.2790	0.000	1	105.2790	0.000	1	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.7020	0.000	1	105.3617	2.798	3	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.5450	0.000	1	105.3617	2.798	3	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8380	0.000	1	105.3617	2.798	3	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5920	0.000	1	106.0033	1.952	3	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2090	0.345	2	106.0033	1.952	3	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1870	0.000	1	107.2320	0.152	7	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2395	0.427	6	107.2320	0.152	7	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.3310	0.000	1	105.3310	0.000	1	106.5886	0.741	40	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2640	0.000	1	105.2640	0.000	1	105.9230	1.162	13	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7867	0.105	4	105.6487	0.060	10	105.9230	1.162	13	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6293	0.411	3	105.6487	0.060	10	105.9230	1.162	13	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4280	0.000	1	105.6487	0.060	10	105.9230	1.162	13	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5120	0.085	2	105.6487	0.060	10	105.9230	1.162	13	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8310	0.000	1	105.8310	0.000	1	105.9230	1.162	13	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4170	0.000	1	109.4170	0.000	1	105.9230	1.162	13	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[4,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5920	0.986	2	106.5920	0.972	2	106.5920	0.972	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3320	0.000	1	107.3858	0.064	4	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4037	0.306	3	107.3858	0.064	4	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9497	0.424	11	105.9118	0.132	34	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4000	0.000	1	105.9118	0.132	34	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7600	0.000	1	105.9118	0.132	34	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8759	0.334	21	105.9118	0.132	34	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0020	0.000	1	106.7062	0.112	5	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6322	0.335	4	106.7062	0.112	5	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1420	0.000	1	106.1420	0.000	1	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4510	0.000	1	106.4510	0.000	1	106.1482	0.333	45	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1880	0.000	1	106.1880	0.000	1	106.6511	0.765	21	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.4210	1.976	2	106.8222	1.369	10	106.6511	0.765	21	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5255	0.148	2	106.8222	1.369	10	106.6511	0.765	21	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,1|S<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3932	0.702	5	106.8222	1.369	10	106.6511	0.765	21	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3630	0.000	1	106.8222	1.369	10	106.6511	0.765	21	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7382	0.453	5	106.5263	0.257	10	106.6511	0.765	21	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3144	0.511	5	106.5263	0.257	10	106.6511	0.765	21	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8480	0.000	1	104.8480	0.000	1	105.9124	0.230	10	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8506	0.206	5	105.8506	0.042	5	105.9124	0.230	10	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2030	0.000	1	106.2030	0.000	1	105.9124	0.230	10	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8540	0.000	1	105.8540	0.000	1	105.9124	0.230	10	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4050	0.000	1	106.4050	0.000	1	105.9124	0.230	10	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5610	0.000	1	106.5610	0.000	1	105.9124	0.230	10	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5a,6]C[5]C)(C[5,6]C[5]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5a,6]C[5]C)(C[5,6]C[5]C[6]H)(CH3)2{1|C<3>,1|N<2>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5540	0.016	2	110.5540	0.000	2	110.5540	0.000	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9030	0.000	1	106.9030	0.000	1	106.6515	0.127	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4000	0.000	1	106.4000	0.000	1	106.6515	0.127	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3483	0.421	7	106.3483	0.177	7	106.3483	0.177	7	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	105.9580	2.253	2	105.9580	5.075	2	105.9580	5.075	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3980	0.000	1	107.3980	0.000	1	107.1695	0.104	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9410	0.000	1	106.9410	0.000	1	107.1695	0.104	2	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0260	0.000	1	107.0260	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5110	0.000	1	106.5110	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0785	0.081	2	106.0785	0.007	2	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8960	0.000	1	105.8960	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.7302	0.998	4	103.7302	0.997	4	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8120	0.000	1	106.8120	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0140	0.000	1	107.0140	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9255	0.665	4	106.8387	0.284	6	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6650	0.044	2	106.8387	0.284	6	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3437	0.396	6	106.3544	0.132	7	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4190	0.000	1	106.3544	0.132	7	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0850	0.265	4	107.0850	0.070	4	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3){1|S<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4070	0.000	1	106.4070	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5980	0.181	2	105.8320	0.181	3	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3000	0.000	1	105.8320	0.181	3	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1350	0.000	1	105.1350	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8510	0.000	1	105.8510	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5060	0.058	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7660	0.000	1	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3350	0.300	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0183	0.472	3	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9020	0.342	4	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1440	0.000	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8355	0.076	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0489	0.707	88	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2050	0.000	1	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7270	0.375	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9330	0.204	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4520	0.030	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5130	0.000	1	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0355	0.302	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2540	0.462	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0600	0.805	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9790	0.000	1	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5240	0.000	1	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2362	2.037	12	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4540	0.342	2	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9995	0.665	71	106.0840	0.644	205	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|N<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8010	0.000	2	106.8010	0.000	2	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9615	3.157	2	106.2743	2.215	123	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9780	0.000	2	106.2743	2.215	123	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2573	0.491	26	106.2743	2.215	123	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2276	1.613	93	106.2743	2.215	123	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7100	0.000	1	106.0507	0.094	8	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0994	0.297	7	106.0507	0.094	8	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6707	0.267	3	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8500	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8520	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7050	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4960	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0920	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4360	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0310	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4303	0.739	35	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8950	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	95.8593	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5224	0.433	12	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8030	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4815	0.377	4	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0390	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6270	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5070	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5277	0.165	4	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6357	2.234	6	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.9560	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0400	0.452	6	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6090	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6870	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6817	0.396	3	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.8070	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3120	0.000	1	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0340	0.707	2	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4553	0.624	43	106.4242	1.589	136	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4840	0.000	1	106.4840	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3260	0.000	1	106.3260	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.8720	0.068	2	107.8720	0.005	2	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4772	0.680	4	105.4772	0.463	4	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9560	0.000	1	106.1523	1.634	75	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2752	0.167	4	106.1523	1.634	75	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8683	1.049	32	106.1523	1.634	75	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3637	0.403	7	106.1523	1.634	75	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1287	0.238	4	106.1523	1.634	75	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4660	0.000	1	106.1523	1.634	75	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4251	1.784	26	106.1523	1.634	75	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4650	0.000	1	106.4650	0.000	1	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.0110	0.188	2	103.0110	0.035	2	106.2089	1.380	594	106.2496	1.800	866	109.8331	4.812	12312	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:3:4:1:	4:2:1:1:	4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:3:4:1:	4:4:1:1:	4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.7620	0.000	1	111.7620	0.000	1	111.7620	0.000	1	111.7620	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	110.2296	1.252	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	109.7930	0.000	1	109.8510	0.007	2	109.8950	0.017	6	110.2296	1.252	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	109.9090	0.000	1	109.8510	0.007	2	109.8950	0.017	6	110.2296	1.252	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	109.9170	0.157	4	109.9170	0.025	4	109.8950	0.017	6	110.2296	1.252	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:2:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	110.2296	1.252	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:2:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	3:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.0700	0.126	2	112.0700	0.016	2	111.8246	0.059	5	111.8246	0.059	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.6610	0.096	3	111.6610	0.009	3	111.8246	0.059	5	111.8246	0.059	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:2:4:4:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.2963	0.101	3	111.2963	0.010	3	111.2963	0.010	3	111.2963	0.010	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[4,5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H)	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.6925	0.247	2	110.6925	0.061	2	110.9590	0.126	4	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0980	0.000	1	111.2255	0.033	2	110.9590	0.126	4	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.3530	0.000	1	111.2255	0.033	2	110.9590	0.126	4	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.9280	0.000	1	110.9280	0.000	1	110.9022	0.038	5	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.7220	0.171	2	110.7220	0.029	2	110.9022	0.038	5	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.0360	0.000	1	111.0360	0.000	1	110.9022	0.038	5	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.1030	0.000	1	111.1030	0.000	1	110.9022	0.038	5	110.9216	0.060	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.2790	0.000	1	111.2790	0.000	1	110.8730	0.330	2	110.8730	0.330	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:3:1:	4:4:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.4670	0.000	1	110.4670	0.000	1	110.8730	0.330	2	110.8730	0.330	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	3:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.3237	0.103	3	111.2209	0.013	10	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1769	0.092	7	111.2209	0.013	10	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9723	0.128	13	110.8977	0.271	29	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.4673	0.108	3	110.8977	0.271	29	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.6916	0.693	13	110.8977	0.271	29	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0897	0.714	12	115.5833	282.922	14	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	142.5445	44.455	2	115.5833	282.922	14	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	114.4460	0.000	1	114.4460	0.000	1	112.2380	73.767	54	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[5,6]O[5,6]C[5]C[6])	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	112.1710	72.648	55	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.1545	0.081	2	111.1545	0.007	2	111.1672	0.029	4	111.1672	0.029	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1800	0.284	2	111.1800	0.081	2	111.1672	0.029	4	111.1672	0.029	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:4:4:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.4155	0.203	2	110.4155	0.041	2	110.4943	0.039	3	110.4943	0.039	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:2:4:4:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H){1|C<4>,1|N<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.6520	0.000	1	110.6520	0.000	1	110.4943	0.039	3	110.4943	0.039	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:3:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.4900	0.123	2	110.4900	0.015	2	110.4900	0.015	2	110.4900	0.015	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2{2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.1490	0.000	1	110.1490	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.5250	0.000	1	112.5250	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.2040	0.000	1	110.2040	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.4585	0.288	2	110.4585	0.083	2	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.5190	0.000	1	110.3895	0.034	2	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.2600	0.000	1	110.3895	0.034	2	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.3390	0.000	1	110.3390	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.3430	0.000	1	110.3430	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.1540	0.000	1	110.1540	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.2920	0.000	1	110.2920	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:1:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	114.0880	0.000	1	114.0880	0.000	1	110.8158	1.486	12	110.8031	1.364	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:2:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]O[5,6]C[5]C[6])	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.6050	0.000	1	109.6050	0.000	1	109.9215	0.200	2	109.9215	0.200	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	2:4:4:1:	4:4:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.2380	0.000	1	110.2380	0.000	1	109.9215	0.200	2	109.9215	0.200	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:2:1:1:	4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5a,6]O[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5a,6]O[5,6]C[5])	113.0050	0.000	1	112.9077	0.012	3	112.9077	0.012	3	112.2088	0.978	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:2:1:1:	4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5a,6]O[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5a,6]O[5,6]C[5])	112.8590	0.098	2	112.9077	0.012	3	112.9077	0.012	3	112.2088	0.978	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.4960	0.000	1	111.4960	0.000	1	111.1605	0.225	2	112.2088	0.978	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.8250	0.000	1	110.8250	0.000	1	111.1605	0.225	2	112.2088	0.978	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:2:3:3:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:2:4:3:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H){1|O<2>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO){1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:2:4:4:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:S[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2{2|C<3>,2|C<4>}	H(C[5,6]N[5,6]C[5]O[6])	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:3:1:1:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:3:4:1:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H){4|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H){2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	109.9850	0.100	2	109.9850	0.010	2	109.9850	0.010	2	109.9850	0.010	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:3:4:4:	4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2	H(C[5,6]N[5,6]C[5]S[6])	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5,6]N[5,6]C[5]S[6])	110.8820	0.000	1	110.8820	0.000	1	110.8420	0.003	2	110.8420	0.003	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:3:4:4:	4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]H)(CH3)2	H(C[5,6]N[5,6]C[5]S[6])	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5,6]N[5,6]C[5]S[6])	110.8020	0.000	1	110.8020	0.000	1	110.8420	0.003	2	110.8420	0.003	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	109.4205	0.095	2	109.4205	0.009	2	109.4205	0.009	2	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5,6]C[5a,6]O[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5,6]C[5a,6]O[5,6]C[5])	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.5950	0.000	1	110.5950	0.000	1	110.4842	0.082	5	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.8000	0.000	1	110.8000	0.000	1	110.4842	0.082	5	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.6180	0.000	1	110.6180	0.000	1	110.4842	0.082	5	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|S<2>,3|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.2040	0.205	2	110.2040	0.042	2	110.4842	0.082	5	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2{1|O<1>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	N[5,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]O[5,6]C[5])	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]N[5,6]O[5,6]C[5])	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]O[6])	114.9330	0.000	1	112.8965	8.295	2	112.8965	8.295	2	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]O[6])	110.8600	0.000	1	112.8965	8.295	2	112.8965	8.295	2	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:1:1:	4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]N[6,6a]O[5,6]C[5])	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]N[6,6a]O[5,6]C[5])	113.1137	3.303	3	113.1137	10.912	3	113.1137	10.912	3	111.3101	3.801	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:2:1:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	H(C[5,6]C[6,6a]O[5,6]C[5])	111.1470	0.000	1	111.1470	0.000	1	111.1470	0.000	1	113.0480	7.228	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:2:1:	4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5,6]N[6,6a]O[5,6]C[5])	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]N[6,6a]O[5,6]C[5])	114.9490	0.000	1	114.9490	0.000	1	114.9490	0.000	1	113.0480	7.228	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:2:4:1:	4:4:4:1:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[6,6a]O[5,6]C[5])	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	C[6,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5,6]C[6,6]N[5,6]C[5])	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	109.7259	0.550	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.6860	0.000	2	110.6860	0.000	2	110.2667	0.528	3	109.7259	0.550	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.4280	0.000	1	109.4280	0.000	1	110.2667	0.528	3	109.7259	0.550	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.5930	0.000	1	108.5930	0.000	1	108.5930	0.000	1	109.7259	0.550	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.5485	0.016	2	109.5485	0.000	2	109.5485	0.000	2	109.7259	0.550	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:2:4:4:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:S[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2{2|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	110.2450	1.491	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2{1|S<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	110.2450	1.491	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<2>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.6770	0.107	2	109.6770	0.012	2	109.9974	0.277	7	110.2450	1.491	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.3620	0.343	3	110.3620	0.118	3	109.9974	0.277	7	110.2450	1.491	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.1760	0.000	1	109.7710	0.708	2	109.9974	0.277	7	110.2450	1.491	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{1|C<4>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.3660	0.000	1	109.7710	0.708	2	109.9974	0.277	7	110.2450	1.491	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.9110	0.888	2	110.9110	0.789	2	110.9110	0.789	2	110.2450	1.491	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:2:1:	4:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.2460	0.000	1	108.1150	0.307	3	108.1150	0.307	3	108.1150	0.307	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:2:1:	4:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.0495	0.767	2	108.1150	0.307	3	108.1150	0.307	3	108.1150	0.307	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H){4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.5280	0.000	1	106.5280	0.000	1	107.0540	0.553	2	107.0540	0.553	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H){1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.5800	0.000	1	107.5800	0.000	1	107.0540	0.553	2	107.0540	0.553	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.1780	0.000	1	106.1780	0.000	1	106.1780	0.000	1	106.1780	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.4890	0.000	2	106.4890	0.000	2	106.4890	0.000	2	106.4890	0.000	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.6710	0.000	1	109.6710	0.000	1	109.5328	0.035	13	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.5153	0.199	11	109.5153	0.040	11	109.5328	0.035	13	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.5880	0.000	1	109.5880	0.000	1	109.5328	0.035	13	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.6190	0.000	1	109.6190	0.000	1	108.9368	0.413	5	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.5670	0.000	1	109.5670	0.000	1	108.9368	0.413	5	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2{2|C<2>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.8140	0.000	1	108.8140	0.000	1	108.9368	0.413	5	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.3420	0.262	2	108.3420	0.068	2	108.9368	0.413	5	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[5,6]N[5,6]C[5]C[6])	111.5050	0.000	1	111.5050	0.000	1	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	111.0860	0.000	1	111.0860	0.000	1	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0270	0.049	2	108.6050	0.535	3	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.7610	0.000	1	108.6050	0.535	3	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1010	0.137	2	109.3793	0.242	3	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9360	0.000	1	109.3793	0.242	3	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.5820	0.000	1	108.5820	0.000	1	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.1710	0.000	1	109.1710	0.000	1	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.2025	0.183	2	110.2025	0.034	2	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6480	0.502	2	108.6480	0.252	2	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.8773	1.649	4	107.8773	2.721	4	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1875	0.139	2	109.1875	0.019	2	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0217	0.877	3	109.0217	0.769	3	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8870	0.000	1	110.0045	0.028	2	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1220	0.000	1	110.0045	0.028	2	109.1582	1.373	25	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]2C[5])	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]N[5,6]2C[5])	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	111.3290	0.000	1	111.3290	0.000	1	110.3023	0.792	3	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	109.7890	0.048	2	109.7890	0.002	2	110.3023	0.792	3	109.4194	1.382	51	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H){1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.2730	0.287	2	108.2730	0.082	2	108.2730	0.082	2	108.6683	0.240	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.0635	0.115	2	109.0635	0.013	2	109.0635	0.013	2	108.6683	0.240	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:2:2:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-2:C-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CN)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.8050	0.000	1	110.8050	0.000	1	109.1146	3.215	7	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	111.5010	0.000	1	111.5010	0.000	1	109.1146	3.215	7	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.1390	0.000	1	106.1390	0.000	1	109.1146	3.215	7	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.8000	0.000	1	108.8000	0.000	1	109.1146	3.215	7	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H){2|C<2>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.5310	0.000	1	109.5310	0.000	1	109.1146	3.215	7	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.1790	0.000	1	109.1790	0.000	1	109.1146	3.215	7	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H){1|C<4>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.8470	0.000	1	107.8470	0.000	1	109.1146	3.215	7	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6,6]C[6,6a]C[5])	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	H(C[5,6]N[5,6,6]C[6,6a]C[5])	108.3980	0.058	2	108.3980	0.003	2	108.3980	0.003	2	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	109.0064	3.126	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.2840	0.224	6	112.2840	0.050	6	112.2840	0.050	6	111.1568	9.158	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	111.1568	9.158	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO){1|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	103.6910	0.000	1	103.6910	0.000	1	103.6910	0.000	1	111.1568	9.158	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.5680	0.000	1	107.5680	0.000	1	108.0160	0.524	5	108.2787	0.664	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.7145	0.392	2	108.7145	0.154	2	108.0160	0.524	5	108.2787	0.664	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.9390	0.000	1	107.9390	0.000	1	108.0160	0.524	5	108.2787	0.664	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.1440	0.000	1	107.1440	0.000	1	108.0160	0.524	5	108.2787	0.664	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	108.2787	0.664	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H){2|C<4>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	108.2787	0.664	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	109.2505	0.415	2	109.2505	0.172	2	109.2505	0.172	2	108.2787	0.664	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:2:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.2453	0.306	3	109.2453	0.093	3	109.2453	0.093	3	109.2453	0.093	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:N-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO){1|S<4>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.7000	0.167	2	108.7000	0.028	2	108.7000	0.028	2	108.7000	0.028	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:3:4:1:	4:4:4:4:	4:	N[5,6]-3:Si[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H)	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2	H(C[5,6]N[5,6]Si[6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H){1|N<3>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(C[5,6]N[5,6]Si[6]C[5])	104.1350	0.000	1	104.1350	0.000	1	104.1350	0.000	1	104.1350	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	110.4325	0.662	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H){2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{6|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	110.4325	0.662	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	110.4325	0.662	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5,6]N[5,6]C[5]O[6])	110.9905	0.199	2	110.9905	0.039	2	110.8340	0.093	3	110.4325	0.662	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5,6]N[5,6]C[5]O[6])	110.5210	0.000	1	110.5210	0.000	1	110.8340	0.093	3	110.4325	0.662	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	108.5047	0.723	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.9260	0.617	2	108.9260	0.380	2	108.9260	0.380	2	108.5047	0.723	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	3:4:4:4:	4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2{1|H<1>,5|C<3>}	H(C[5,6]N[5,6]C[5]N[6])	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0950	0.000	1	112.0950	0.000	1	110.2745	6.628	2	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4540	0.000	1	108.4540	0.000	1	110.2745	6.628	2	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4390	0.321	2	110.4390	0.103	2	109.1170	2.977	7	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.4740	0.000	1	108.0787	2.558	4	109.1170	2.977	7	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.2505	0.136	2	108.0787	2.558	4	109.1170	2.977	7	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.3400	0.000	1	108.0787	2.558	4	109.1170	2.977	7	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.6260	0.000	1	110.6260	0.000	1	109.1170	2.977	7	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4990	0.000	1	108.0955	0.883	6	108.0955	0.883	6	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.8850	0.000	1	108.0955	0.883	6	108.0955	0.883	6	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5473	0.770	4	108.0955	0.883	6	108.0955	0.883	6	108.8627	2.634	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:2:1:	4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4790	0.000	1	107.8290	0.245	2	107.8290	0.245	2	107.8290	0.245	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1790	0.000	1	107.8290	0.245	2	107.8290	0.245	2	107.8290	0.245	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5160	0.000	1	108.0655	0.406	2	108.0655	0.406	2	109.7362	2.690	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6150	0.000	1	108.0655	0.406	2	108.0655	0.406	2	109.7362	2.690	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2698	1.083	4	110.4600	2.278	6	110.2136	2.323	7	109.7362	2.690	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8405	0.032	2	110.4600	2.278	6	110.2136	2.323	7	109.7362	2.690	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7350	0.000	1	108.7350	0.000	1	110.2136	2.323	7	109.7362	2.690	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.5675	0.030	2	107.5675	0.001	2	107.5675	0.001	2	107.9580	0.458	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]C)(CCO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]C)(CCO)(H){3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	107.9580	0.458	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.5200	0.000	1	113.5200	0.000	1	113.7315	0.089	2	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.9430	0.000	1	113.9430	0.000	1	113.7315	0.089	2	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	H(C[5,6]C[5,6]C[5]N[6])	107.8625	0.193	2	107.8625	0.037	2	107.8625	0.037	2	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0585	1.395	2	109.0585	1.946	2	109.0585	1.946	2	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6910	0.000	1	108.6910	0.000	1	108.9100	0.096	2	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.1290	0.000	1	109.1290	0.000	1	108.9100	0.096	2	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.3125	1.407	4	105.3125	1.980	4	105.3125	1.980	4	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1815	0.333	2	109.1815	0.111	2	109.2848	0.054	4	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.3880	0.091	2	109.3880	0.008	2	109.2848	0.054	4	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.7860	0.980	2	111.7860	0.960	2	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	114.0770	0.000	3	114.0770	0.000	3	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5940	0.000	1	108.0918	4.289	11	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0161	2.608	7	108.0918	4.289	11	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1010	0.941	3	108.0918	4.289	11	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1740	0.000	1	109.1740	0.000	1	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.0680	0.000	1	108.8990	0.057	2	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7300	0.000	1	108.8990	0.057	2	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6310	0.206	2	108.6310	0.043	2	109.4784	7.069	21	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]N[5,6]C[5]N[6])	109.7630	0.188	2	109.7630	0.035	2	109.7630	0.035	2	109.1304	6.766	39	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2555	0.599	2	108.2555	0.359	2	108.2555	0.359	2	108.1027	0.249	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H){2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	108.1027	0.249	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	107.7364	1.139	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.2550	0.000	1	106.2550	0.000	1	106.2550	0.000	1	107.7364	1.139	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H){1|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.8193	0.642	3	107.8193	0.412	3	107.8193	0.412	3	107.7364	1.139	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(COO)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	113.0560	0.000	1	112.9120	0.041	2	112.8510	0.292	5	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	112.7680	0.000	1	112.9120	0.041	2	112.8510	0.292	5	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.2310	0.228	2	113.2310	0.052	2	112.8510	0.292	5	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.9690	0.000	1	111.9690	0.000	1	112.8510	0.292	5	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.3110	0.000	1	110.3110	0.000	1	110.2185	0.017	2	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.1260	0.000	1	110.1260	0.000	1	110.2185	0.017	2	111.1780	4.751	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9800	0.000	1	112.4343	13.150	3	112.4343	13.150	3	110.8995	18.189	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	116.2110	0.000	1	112.4343	13.150	3	112.4343	13.150	3	110.8995	18.189	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.1120	0.000	1	112.4343	13.150	3	112.4343	13.150	3	110.8995	18.189	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.2950	0.000	1	106.2950	0.000	1	106.2950	0.000	1	110.8995	18.189	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7732	0.509	6	107.7732	0.259	6	107.7732	0.259	6	108.2873	0.903	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5270	0.000	1	108.9800	0.598	2	108.6797	0.570	3	108.2873	0.903	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.4330	0.000	1	108.9800	0.598	2	108.6797	0.570	3	108.2873	0.903	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.0790	0.000	1	108.0790	0.000	1	108.6797	0.570	3	108.2873	0.903	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	108.2873	0.903	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:2:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3110	0.074	2	107.3110	0.005	2	107.3110	0.005	2	107.3110	0.005	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9170	0.000	1	105.9170	0.000	1	105.9170	0.000	1	106.5436	1.040	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5240	0.000	1	106.9655	0.390	2	107.1967	0.355	3	106.5436	1.040	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4070	0.000	1	106.9655	0.390	2	107.1967	0.355	3	106.5436	1.040	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H){1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6590	0.000	1	107.6590	0.000	1	107.1967	0.355	3	106.5436	1.040	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	3:4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	106.5436	1.040	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H){3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]2C[5])	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4150	0.789	2	110.4150	0.623	2	109.6117	1.811	6	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0690	0.064	2	110.0690	0.004	2	109.6117	1.811	6	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0200	0.000	1	107.0200	0.000	1	109.6117	1.811	6	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6820	0.000	1	109.6820	0.000	1	109.6117	1.811	6	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5083	0.916	3	107.5083	0.840	3	107.5083	0.840	3	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.9130	0.000	1	110.9130	0.000	1	112.4098	1.004	4	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.9087	0.111	3	112.9087	0.012	3	112.4098	1.004	4	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){2|C<4>,3|C<3>}	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.0860	0.000	1	110.0860	0.000	1	110.6691	0.729	8	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9040	0.000	1	109.9040	0.000	1	110.6691	0.729	8	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.4490	0.000	1	110.5860	0.258	5	110.6691	0.729	8	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.9960	0.000	1	110.5860	0.258	5	110.6691	0.729	8	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.4950	0.641	3	110.5860	0.258	5	110.6691	0.729	8	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.4330	0.000	1	112.4330	0.000	1	110.6691	0.729	8	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	O[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	110.0988	3.326	25	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,2|S<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	108.7045	13.734	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:2:1:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	108.7045	13.734	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.0070	0.000	1	113.0070	0.000	1	109.0586	4.894	5	109.0586	4.894	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.9595	0.179	2	108.0715	0.029	4	109.0586	4.894	5	109.0586	4.894	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1835	0.067	2	108.0715	0.029	4	109.0586	4.894	5	109.0586	4.894	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:3:2:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:O-2:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	109.9541	3.159	12	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	109.9541	3.159	12	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.5380	0.000	1	111.5380	0.000	1	110.5733	0.182	10	109.9541	3.159	12	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4251	0.264	8	110.4251	0.069	8	110.5733	0.182	10	109.9541	3.159	12	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7940	0.000	1	110.7940	0.000	1	110.5733	0.182	10	109.9541	3.159	12	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:2:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.9080	0.000	1	110.9080	0.000	1	110.4723	0.146	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.2545	0.087	2	110.2545	0.008	2	110.4723	0.146	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2{2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2030	0.000	1	109.5505	3.632	2	109.5505	3.632	2	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	110.8980	0.000	1	109.5505	3.632	2	109.5505	3.632	2	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5750	0.000	1	108.5750	0.000	1	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4310	0.000	1	108.4310	0.000	1	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.4272	0.479	5	112.4272	0.229	5	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.4527	1.584	3	112.4527	2.510	3	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4450	0.000	1	108.4450	0.000	1	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3480	0.000	1	108.3480	0.000	1	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7070	0.000	1	109.7070	0.000	1	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7880	0.484	2	109.7947	0.117	3	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8080	0.000	1	109.7947	0.117	3	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4970	0.000	1	108.9897	0.182	3	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2360	0.000	2	108.9897	0.182	3	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.2620	0.000	1	109.2620	0.000	1	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2870	0.223	4	109.2870	0.050	4	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1860	0.000	1	108.1860	0.000	1	110.1580	3.014	25	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8685	2.792	4	106.8685	7.796	4	108.2898	4.455	10	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3040	0.000	1	108.3040	0.000	1	108.2898	4.455	10	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3675	1.068	2	109.4515	0.726	4	108.2898	4.455	10	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2460	0.000	1	109.4515	0.726	4	108.2898	4.455	10	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8250	0.000	1	109.4515	0.726	4	108.2898	4.455	10	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3140	0.000	1	109.3140	0.000	1	108.2898	4.455	10	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2260	0.000	1	107.2260	0.000	1	108.1377	1.700	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6310	0.000	1	109.6310	0.000	1	108.1377	1.700	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5560	0.000	1	107.5560	0.000	1	108.1377	1.700	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.3700	0.000	1	110.3700	0.000	1	110.3700	0.000	1	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.0617	0.273	3	110.0617	0.075	3	110.0617	0.075	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.2405	0.428	2	109.3508	1.212	4	109.3508	1.212	4	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0820	0.000	1	109.3508	1.212	4	109.3508	1.212	4	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.8400	0.000	1	109.3508	1.212	4	109.3508	1.212	4	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{2|H<1>,3|C<4>}	H(C[5,6]N[5,5,6]C[5]C[6])	109.4590	0.000	1	109.2223	0.053	3	109.2223	0.053	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,5,6]C[5]C[6])	109.1040	0.150	2	109.2223	0.053	3	109.2223	0.053	3	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2270	0.000	3	110.0587	3.009	9	109.6387	3.734	12	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4745	1.893	6	110.0587	3.009	9	109.6387	3.734	12	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4380	0.000	1	109.4380	0.000	1	109.6387	3.734	12	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9670	0.000	1	107.8490	8.972	2	109.6387	3.734	12	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	105.7310	0.000	1	107.8490	8.972	2	109.6387	3.734	12	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0380	0.000	1	109.7865	0.358	4	109.6928	0.266	6	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1340	0.520	2	109.7865	0.358	4	109.6928	0.266	6	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Rh<6>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8400	0.000	1	109.7865	0.358	4	109.6928	0.266	6	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]H)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2310	0.000	1	109.2310	0.000	1	109.6928	0.266	6	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7800	0.000	1	109.7800	0.000	1	109.6928	0.266	6	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	109.4775	2.885	78	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H){4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	108.6733	1.421	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.9970	0.311	2	107.9970	0.097	2	107.9970	0.097	2	108.6733	1.421	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:2:2:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:2:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4375	0.069	2	108.4375	0.005	2	109.8314	1.550	9	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2297	1.110	7	110.2297	1.233	7	109.8314	1.550	9	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3533	0.528	4	108.3533	0.279	4	108.3533	0.279	4	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.4263	0.047	3	108.4263	0.002	3	108.4010	0.004	4	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3250	0.000	1	108.3250	0.000	1	108.4010	0.004	4	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	109.0324	1.249	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN){1|Si<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7475	0.269	2	109.7475	0.073	2	109.7475	0.073	2	108.9897	1.759	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	108.9897	1.759	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.9130	0.099	2	107.9067	0.005	3	107.8884	0.032	5	108.5053	2.309	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8940	0.000	1	107.9067	0.005	3	107.8884	0.032	5	108.5053	2.309	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1020	0.000	1	107.8610	0.116	2	107.8884	0.032	5	108.5053	2.309	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.6200	0.000	1	107.8610	0.116	2	107.8884	0.032	5	108.5053	2.309	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO){1|N<3>,5|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	108.5053	2.309	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	108.6270	0.000	1	109.5235	1.607	2	109.5235	1.607	2	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.4200	0.000	1	109.5235	1.607	2	109.5235	1.607	2	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3520	0.576	2	108.3520	0.331	2	108.3520	0.331	2	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0727	0.168	3	108.5297	1.066	6	108.5297	1.066	6	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.9867	1.417	3	108.5297	1.066	6	108.5297	1.066	6	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	108.4952	1.142	13	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3485	0.272	4	107.3485	0.074	4	107.5440	0.295	7	107.6121	0.290	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]N[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]N[5])(CH3)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1890	0.552	2	108.1890	0.304	2	107.5440	0.295	7	107.6121	0.290	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:4:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0360	0.000	1	107.0360	0.000	1	107.5440	0.295	7	107.6121	0.290	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:3:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H){1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	107.6121	0.290	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.7110	0.000	1	108.7110	0.000	1	108.0195	0.956	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	107.3280	0.000	1	107.3280	0.000	1	108.0195	0.956	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	106.6450	0.000	1	106.6450	0.000	1	106.7025	0.007	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	106.7600	0.000	1	106.7600	0.000	1	106.7025	0.007	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.0685	0.165	2	112.0685	0.027	2	110.8463	4.495	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4020	0.000	1	108.4020	0.000	1	110.8463	4.495	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	113.0140	0.000	1	113.0140	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2{1|B<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7055	0.187	2	109.7055	0.035	2	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6030	0.000	1	107.6030	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1800	0.754	2	108.1800	0.568	2	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8520	0.000	1	108.8520	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2000	0.000	1	109.4890	0.167	2	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7780	0.000	1	109.4890	0.167	2	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8240	0.000	1	108.8240	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7420	0.000	1	107.7420	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5230	0.000	1	108.5230	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8500	0.000	1	108.8500	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8450	0.000	1	110.8450	0.000	1	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	114.8310	0.000	3	114.8310	0.000	3	110.2056	6.515	17	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2{1|B<4>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3020	0.000	1	107.5460	0.083	3	106.9718	1.375	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6680	0.279	2	107.5460	0.083	3	106.9718	1.375	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2490	0.000	1	105.2490	0.000	1	106.9718	1.375	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.4490	0.000	1	112.4490	0.000	1	110.8667	6.383	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.9530	0.000	1	107.9530	0.000	1	110.8667	6.383	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.1980	0.000	1	112.1980	0.000	1	110.8667	6.383	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1030	0.000	1	105.3483	1.118	7	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3490	0.000	1	105.3483	1.118	7	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6060	0.000	1	105.3483	1.118	7	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8030	0.000	1	105.3483	1.118	7	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.3490	0.000	1	105.3483	1.118	7	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8620	0.000	1	105.3483	1.118	7	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3660	0.000	1	105.3483	1.118	7	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5880	0.354	2	106.5880	0.125	2	105.6238	1.153	9	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:Br-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.2750	0.000	1	108.2750	0.000	1	108.9016	7.913	7	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.4770	0.000	1	107.1770	0.980	2	108.9016	7.913	7	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8770	0.000	1	107.1770	0.980	2	108.9016	7.913	7	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.5480	0.000	1	108.5480	0.000	1	108.9016	7.913	7	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1510	0.000	1	107.1510	0.000	1	108.9016	7.913	7	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.0020	0.000	1	109.0020	0.000	1	108.9016	7.913	7	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	114.9810	0.000	1	114.9810	0.000	1	108.9016	7.913	7	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.8140	0.000	2	109.5330	0.237	3	109.7357	0.322	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]N[5,6,6]C[5]C[6])	108.9710	0.000	1	109.5330	0.237	3	109.7357	0.322	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	110.3440	0.000	1	110.3440	0.000	1	109.7357	0.322	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.8900	0.000	1	109.8900	0.000	1	109.8365	0.048	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<2>,4|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	109.6660	0.000	2	109.8187	0.070	3	109.8365	0.048	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6,6]C[5]C[6])	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){2|S<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]N[5,6,6]C[5]C[6])	110.1240	0.000	1	109.8187	0.070	3	109.8365	0.048	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,6|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.1540	0.000	1	108.4435	0.168	2	108.4435	0.168	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.7330	0.000	1	108.4435	0.168	2	108.4435	0.168	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.4760	0.000	1	111.4760	0.000	1	110.4893	1.994	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.8720	0.000	1	108.8720	0.000	1	110.4893	1.994	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.1200	0.000	1	111.1200	0.000	1	110.4893	1.994	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.0625	0.424	2	109.0625	0.179	2	109.0625	0.179	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.5825	0.045	2	110.6843	0.325	12	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.7972	0.177	5	110.6843	0.325	12	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.0410	0.462	3	110.6843	0.325	12	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.4685	0.073	2	110.6843	0.325	12	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.1230	0.000	1	112.1230	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.8140	0.000	1	110.8415	3.807	21	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1266	1.043	9	110.8415	3.807	21	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3070	0.000	1	110.8415	3.807	21	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.9510	2.315	2	110.8415	3.807	21	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8137	2.473	8	110.8415	3.807	21	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1200	0.232	2	110.1200	0.054	2	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.6790	0.000	1	111.6790	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.6070	0.000	1	111.6070	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.6565	0.380	2	110.6565	0.144	2	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.3020	0.137	2	112.3020	0.019	2	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7745	0.144	2	109.7745	0.021	2	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4110	0.000	1	107.4110	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.9680	0.000	1	110.9680	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5460	0.000	1	108.8699	0.365	10	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8740	0.000	1	108.8699	0.365	10	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7650	0.000	1	108.8699	0.365	10	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6449	0.412	7	108.8699	0.365	10	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.9253	0.434	7	106.9253	0.188	7	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.0440	0.000	1	107.0440	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.9890	0.000	1	107.9890	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.2190	0.408	3	108.8555	0.389	6	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.9030	0.000	1	108.8555	0.389	6	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.7550	0.000	1	108.8555	0.389	6	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8180	0.000	1	108.8555	0.389	6	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0550	0.000	1	108.0550	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8570	0.000	1	109.2320	0.281	2	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6070	0.000	1	109.2320	0.281	2	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1993	0.130	3	108.1993	0.017	3	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8900	0.000	1	109.8900	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8110	0.000	1	109.8110	0.000	1	109.7663	3.157	79	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6560	0.255	4	108.6560	0.065	4	108.6560	0.065	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Al<4>,1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3790	0.177	2	108.3790	0.031	2	108.3790	0.031	2	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,7|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.7050	0.000	1	108.3207	0.111	3	108.3207	0.111	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|C<3>,6|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.1200	0.000	1	108.3207	0.111	3	108.3207	0.111	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){4|C<3>,8|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.1370	0.000	1	108.3207	0.111	3	108.3207	0.111	3	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|S<4>,2|C<4>,8|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.6010	0.079	2	111.6010	0.006	2	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3400	0.000	1	111.3400	0.000	1	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.6930	0.000	1	107.6930	0.000	1	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5930	0.000	1	108.9203	0.730	3	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9590	0.000	1	108.9203	0.730	3	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2090	0.000	1	108.9203	0.730	3	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.1180	0.214	2	110.0103	0.058	3	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.7950	0.000	1	110.0103	0.058	3	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.3960	0.000	1	109.6513	0.318	4	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4030	0.328	3	109.6513	0.318	4	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	108.6337	0.182	4	108.6460	0.026	5	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	108.6950	0.000	1	108.6460	0.026	5	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1370	0.000	1	108.5040	0.801	2	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.8710	0.000	1	108.5040	0.801	2	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.0980	0.148	3	109.0980	0.022	3	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7850	0.000	1	109.7850	0.000	1	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	101.5590	0.000	1	101.5590	0.000	1	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8274	1.126	5	109.8274	1.267	5	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5970	0.000	1	109.5970	0.000	1	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1792	0.328	4	110.1792	0.108	4	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.6940	1.522	2	109.6940	2.316	2	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1220	0.000	1	109.1795	0.007	2	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2370	0.000	1	109.1795	0.007	2	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.4550	0.000	1	112.4550	0.000	1	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.9680	0.000	1	108.9680	0.000	1	109.4078	2.662	42	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	H(C[5,6]N[5a,6]C[5,6]C[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]N[5a,6]C[5,6]C[5])	109.2297	0.434	3	109.1240	0.170	4	109.1240	0.170	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	H(C[5,6]N[5a,6]C[5,6]C[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]N[5a,6]C[5,6]C[5])	108.8070	0.000	1	109.1240	0.170	4	109.1240	0.170	4	109.3759	3.878	204	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.4750	0.000	1	106.4750	0.000	1	106.4750	0.000	1	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H)	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5,6]N[5,5,6]C[5,6]C[5])	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]N[5,5,6]C[5,6]C[5])	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1145	0.544	2	111.2967	0.247	3	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.6610	0.000	1	111.2967	0.247	3	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6580	0.000	1	108.6580	0.000	1	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6190	0.000	1	108.6190	0.000	1	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1380	0.000	1	107.1547	4.096	3	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.4990	0.000	1	107.1547	4.096	3	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	104.8270	0.000	1	107.1547	4.096	3	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5305	0.211	2	109.5305	0.045	2	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5550	0.000	1	108.5550	0.000	1	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.3530	0.000	1	109.3530	0.000	1	109.1333	3.246	12	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	108.9784	3.159	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H){2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.7125	0.112	2	107.7125	0.013	2	107.8890	0.100	3	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H){3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.2420	0.000	1	108.2420	0.000	1	107.8890	0.100	3	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H){2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.7960	0.846	3	106.7960	0.715	3	107.1730	1.045	4	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3040	0.000	1	108.3040	0.000	1	107.1730	1.045	4	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.9505	0.203	2	109.9505	0.041	2	110.1129	0.077	7	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.2105	0.329	4	110.2105	0.108	4	110.1129	0.077	7	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.0470	0.000	1	110.0470	0.000	1	110.1129	0.077	7	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	108.6593	2.486	20	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[3x6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5,6]C[5,6,6a]C[3x6]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6,6a]C[3x6]C[5])	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7830	0.000	1	107.0775	0.173	2	107.0775	0.173	2	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3720	0.000	1	107.0775	0.173	2	107.0775	0.173	2	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.1720	0.000	1	109.1720	0.000	1	109.3150	0.017	3	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.3865	0.054	2	109.3865	0.003	2	109.3150	0.017	3	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.9870	0.000	1	108.4765	0.521	2	107.6746	1.793	5	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9660	0.000	1	108.4765	0.521	2	107.6746	1.793	5	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8330	0.000	1	108.8330	0.000	1	107.6746	1.793	5	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	106.6150	0.000	1	106.6150	0.000	1	107.6746	1.793	5	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	105.9720	0.000	1	105.9720	0.000	1	107.6746	1.793	5	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H){1|C<3>,1|S<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.1286	1.192	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:2:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.7300	0.351	3	110.7300	0.123	3	110.7300	0.123	3	110.7300	0.123	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:3:	4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.4365	0.001	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	107.4365	0.001	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.3510	0.000	1	109.3510	0.000	1	107.7485	5.136	2	107.9317	1.956	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3){1|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	106.1460	0.000	1	106.1460	0.000	1	107.7485	5.136	2	107.9317	1.956	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1150	0.772	2	108.1150	0.596	2	108.1150	0.596	2	107.9317	1.956	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H)	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	109.9213	0.161	4	109.9213	0.026	4	109.9213	0.026	4	109.8316	0.060	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H)	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.8316	0.060	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[3,6]O[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[3,6]O[5,6]C[5])	113.6482	1.789	10	113.6482	3.202	10	113.6482	3.202	10	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6,6]O[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]O[5,6]C[5])	112.4837	1.217	6	112.4837	1.480	6	112.4837	1.480	6	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	111.1600	0.000	1	111.1600	0.000	1	112.4560	1.379	3	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[5])	113.4490	0.000	1	113.1040	0.238	2	112.4560	1.379	3	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	112.7590	0.000	1	113.1040	0.238	2	112.4560	1.379	3	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.1655	3.113	2	110.1655	9.693	2	110.1655	9.693	2	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.7000	2.461	2	109.7000	6.055	2	109.7000	6.055	2	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[6,6]O[5,6]C[5])	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.8330	1.862	4	112.3758	2.933	6	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	113.4615	0.851	2	112.3758	2.933	6	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.7602	1.918	5	112.7602	3.679	5	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.5880	0.000	1	110.5880	0.000	1	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1850	0.000	1	111.1850	0.000	1	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.5800	0.000	1	110.5800	0.000	1	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	113.9705	1.074	2	113.9705	1.154	2	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8573	0.129	3	110.8573	0.017	3	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8300	0.000	1	110.8300	0.000	1	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.5940	0.000	1	111.5940	0.000	1	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.9090	0.158	4	110.8532	0.023	6	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.7415	0.022	2	110.8532	0.023	6	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.2020	0.000	1	111.0686	0.091	5	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0330	0.413	3	111.0686	0.091	5	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0420	0.000	1	111.0686	0.091	5	111.6815	1.989	32	112.0199	3.045	56	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:2:3:3:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	110.6185	2.984	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:S[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6]O[5,6]C[5])	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	110.6185	2.984	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5,6]C[5])	111.4005	0.070	2	111.4005	0.005	2	111.4005	0.005	2	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.3251	0.511	7	111.3251	0.261	7	111.0927	0.656	8	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.4660	0.000	1	109.4660	0.000	1	111.0927	0.656	8	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5,6]C[6,6]O[5,6]C[5])	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{5|C<4>}	H(C[5,6]C[6,6]O[5,6]C[5])	109.6570	0.187	2	109.6570	0.035	2	109.6570	0.035	2	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.3430	0.000	1	110.3430	0.000	1	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.7540	0.006	2	110.6736	0.040	13	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.6590	0.215	11	110.6736	0.040	13	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.7270	0.000	1	110.7228	0.033	18	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.7914	0.110	5	110.7228	0.033	18	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.6938	0.207	12	110.7228	0.033	18	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.6088	0.274	27	110.6088	0.075	27	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.0300	0.000	1	110.0300	0.000	1	110.6429	0.061	60	110.6550	0.231	75	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H)	H(C[5,6]C[5,6,6]O[5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]O[5,6]C[5])	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	110.2171	1.317	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H){1|C<2>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	109.5575	0.057	2	109.5575	0.003	2	109.5575	0.003	2	110.2171	1.317	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0507	1.414	3	111.0507	2.001	3	110.7818	1.623	4	110.2171	1.317	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.9750	0.000	1	109.9750	0.000	1	110.7818	1.623	4	110.2171	1.317	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.9965	0.217	2	109.9965	0.047	2	109.9965	0.047	2	110.0098	0.430	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	110.0098	0.430	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.4005	0.241	2	109.4005	0.058	2	109.6403	0.202	3	110.0098	0.430	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.1200	0.000	1	110.1200	0.000	1	109.6403	0.202	3	110.0098	0.430	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:3:3:	4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(COO)2	H(C[5,6]C[5,6]O[5,6]C[5])	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(COO)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5,6]C[5])	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	109.5683	0.066	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:3:3:	4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C-3:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO){4|C<3>,5|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.5530	0.361	2	109.5530	0.130	2	109.5530	0.130	2	109.5683	0.066	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	H(C[5,6]C[6,6]O[5,6]C[5])	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|H<1>,4|C<3>}	H(C[5,6]C[6,6]O[5,6]C[5])	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:2:4:1:	4:4:4:3:	4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO){2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	110.9892	0.208	10	110.9892	0.043	10	110.9892	0.043	10	110.9892	0.043	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3560	0.000	1	108.5410	0.068	2	108.5410	0.068	2	108.5410	0.068	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.7260	0.000	1	108.5410	0.068	2	108.5410	0.068	2	108.5410	0.068	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6]2C[5])	106.8460	0.396	2	106.8460	0.157	2	106.8460	0.157	2	107.1007	0.273	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.1007	0.273	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[3,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5,6]C[3,6]N[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[3,6]N[5,6]C[5])	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9753	0.760	3	107.9753	0.577	3	109.6702	12.152	6	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5680	5.804	2	111.3650	21.184	3	109.6702	12.152	6	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9590	0.000	1	111.3650	21.184	3	109.6702	12.152	6	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.6310	0.065	2	108.6310	0.004	2	108.6310	0.004	2	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9202	0.178	4	107.9202	0.032	4	107.6164	0.485	5	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4010	0.000	1	106.4010	0.000	1	107.6164	0.485	5	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	108.9346	4.841	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:2:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0890	0.000	1	107.4300	0.089	3	107.4300	0.089	3	107.4300	0.089	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:2:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6005	0.057	2	107.4300	0.089	3	107.4300	0.089	3	107.4300	0.089	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[3,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	109.4004	2.417	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H){2|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]2C[5])	111.2825	0.292	2	111.2825	0.085	2	111.2825	0.085	2	109.4004	2.417	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0380	0.000	1	108.0380	0.000	1	108.6935	0.320	6	109.4004	2.417	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5540	0.000	1	109.5540	0.000	1	108.6935	0.320	6	109.4004	2.417	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3660	0.000	1	108.3660	0.000	1	108.6935	0.320	6	109.4004	2.417	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7343	0.399	3	108.7343	0.159	3	108.6935	0.320	6	109.4004	2.417	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	109.4004	2.417	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	108.4600	0.000	1	108.5160	0.006	2	108.5160	0.006	2	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.5720	0.000	1	108.5160	0.006	2	108.5160	0.006	2	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H){7|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4590	0.000	1	108.4590	0.000	1	108.1243	5.546	3	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2940	0.000	1	110.2940	0.000	1	108.1243	5.546	3	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6200	0.000	1	105.6200	0.000	1	108.1243	5.546	3	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	110.6110	0.000	2	110.6110	0.000	2	110.6110	0.000	2	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7030	0.304	2	106.7030	0.092	2	106.7030	0.092	2	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.5451	2.156	16	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	107.9785	7.247	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H)	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5]N[6])	103.9770	0.000	1	103.9770	0.000	1	103.9770	0.000	1	107.9785	7.247	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9140	0.000	1	108.9140	0.000	1	109.3510	0.382	2	107.9785	7.247	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7880	0.000	1	109.7880	0.000	1	109.3510	0.382	2	107.9785	7.247	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	H(C[5,6]C[3x5,6]C[6,6a]C[5])	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	H(C[5,6]C[3x5,6]C[6,6a]C[5])	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.9413	3.620	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(COO)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(COO)(H){1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.9230	0.000	1	110.9230	0.000	1	110.9230	0.000	1	108.9413	3.620	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1895	0.063	2	107.1895	0.004	2	107.1895	0.004	2	108.9413	3.620	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.9590	0.000	1	109.7305	9.932	2	109.7305	9.932	2	108.9413	3.620	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5020	0.000	1	109.7305	9.932	2	109.7305	9.932	2	108.9413	3.620	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	108.9413	3.620	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.5960	0.040	2	109.9092	0.096	5	109.7206	0.146	10	109.7206	0.146	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	110.1180	0.165	3	109.9092	0.096	5	109.7206	0.146	10	109.7206	0.146	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.5320	0.379	5	109.5320	0.143	5	109.7206	0.146	10	109.7206	0.146	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[4x6]C[5,6]C[5])	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5,6]C[4x6]C[5,6]C[5])	106.7930	0.000	1	106.7930	0.000	1	106.7930	0.000	1	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	115.4310	0.000	1	115.4310	0.000	1	115.4310	0.000	1	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.4360	1.276	2	109.6682	1.677	6	109.6682	1.677	6	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.9465	1.312	2	109.6682	1.677	6	109.6682	1.677	6	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.6220	2.184	2	109.6682	1.677	6	109.6682	1.677	6	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,6]C[5,6,6]N[5,5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6,6]N[5,5,6]C[5])	114.4810	0.751	2	114.4810	0.564	2	114.4810	0.564	2	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.8733	0.337	7	108.8733	0.113	7	110.4459	6.892	16	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]2C[5])	112.1670	0.000	1	112.1670	0.000	1	110.4459	6.892	16	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|C<2>,7|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	110.0880	0.000	1	110.0880	0.000	1	110.4459	6.892	16	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H){1|Si<5>,2|C<4>,2|N<2>,8|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]2C[5])	106.1560	0.000	1	106.1560	0.000	1	110.4459	6.892	16	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.8770	0.000	1	107.8770	0.000	1	110.4459	6.892	16	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	113.8508	0.932	4	113.8508	0.869	4	110.4459	6.892	16	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]2C[5])	113.3310	0.000	1	113.3310	0.000	1	110.4459	6.892	16	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0650	0.000	1	112.0650	0.000	1	110.2288	8.034	5	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.2380	0.000	1	114.2380	0.000	1	110.2288	8.034	5	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8155	0.070	2	107.8155	0.005	2	110.2288	8.034	5	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2100	0.000	1	109.2100	0.000	1	110.2288	8.034	5	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	107.4590	0.100	2	107.4590	0.010	2	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	111.3060	0.000	1	111.3060	0.000	1	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.6682	0.353	6	109.0485	0.456	15	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.2130	0.000	1	109.0485	0.456	15	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.3150	0.516	2	109.0485	0.456	15	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.6215	1.452	2	109.0485	0.456	15	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.6580	0.405	4	109.0485	0.456	15	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.1660	0.000	1	108.1660	0.000	1	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.7980	0.000	1	108.6435	0.048	2	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]C[5])	108.4890	0.000	1	108.6435	0.048	2	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.6079	0.607	15	109.6079	0.369	15	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.1545	0.276	2	109.1545	0.076	2	109.2061	0.722	38	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]N[6,6]C[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]N[6,6]C[5])	106.2930	0.000	1	106.2930	0.000	1	106.2930	0.000	1	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.6637	0.165	3	111.6637	0.027	3	110.3375	3.011	8	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H){1|Rh<4>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|P<4>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.4140	0.055	2	111.4140	0.003	2	110.3375	3.011	8	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	108.5850	0.000	1	108.5850	0.000	1	110.3375	3.011	8	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	108.7660	0.000	1	108.7660	0.000	1	110.3375	3.011	8	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.5300	0.000	1	107.5300	0.000	1	110.3375	3.011	8	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3825	0.131	2	106.3825	0.017	2	106.3825	0.017	2	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0865	0.179	2	107.0865	0.032	2	107.2857	0.135	3	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6840	0.000	1	107.6840	0.000	1	107.2857	0.135	3	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	108.2940	0.000	1	108.2940	0.000	1	109.4380	0.502	5	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[6,6]N[5,6]C[5])	109.7240	0.353	4	109.7240	0.125	4	109.4380	0.502	5	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9920	0.000	1	105.9920	0.000	1	110.7053	5.027	10	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4792	0.175	6	111.4792	0.031	6	110.7053	5.027	10	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	112.5200	0.170	2	112.5200	0.029	2	110.7053	5.027	10	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1460	0.000	1	107.1460	0.000	1	110.7053	5.027	10	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1250	0.004	2	110.1250	0.000	2	110.1502	0.412	4	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]N[5,6]C[5]C[6])	110.9610	0.000	1	110.9610	0.000	1	110.1502	0.412	4	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.3900	0.000	1	109.3900	0.000	1	110.1502	0.412	4	109.7383	4.005	105	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2150	0.000	1	107.2150	0.000	1	108.2484	0.490	7	108.4281	0.679	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4207	0.583	6	108.4207	0.339	6	108.2484	0.490	7	108.4281	0.679	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	H(C[5,6]C[5,6]N[5,6]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[5])	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	108.4281	0.679	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H)	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	108.1590	0.221	2	108.1590	0.049	2	108.1590	0.049	2	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.3310	0.000	1	111.3310	0.000	1	111.8520	0.543	2	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3730	0.000	1	112.3730	0.000	1	111.8520	0.543	2	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0960	0.000	1	109.0960	0.000	1	109.4805	0.296	2	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8650	0.000	1	109.8650	0.000	1	109.4805	0.296	2	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.3500	0.000	1	109.7880	0.108	5	109.0733	1.734	8	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8975	0.253	4	109.7880	0.108	5	109.0733	1.734	8	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.8820	1.564	3	107.8820	2.446	3	109.0733	1.734	8	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	112.1355	0.083	2	112.1355	0.007	2	112.1355	0.007	2	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	105.5070	0.000	1	105.5070	0.000	1	105.5070	0.000	1	109.6093	3.722	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.4025	0.216	2	107.4025	0.047	2	107.4025	0.047	2	107.4025	0.047	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	108.6545	1.651	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9030	0.000	1	107.9030	0.000	1	108.2832	2.239	5	108.6545	1.651	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9450	0.000	2	106.9450	0.000	2	108.2832	2.239	5	108.6545	1.651	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8115	0.747	2	109.8115	0.559	2	108.2832	2.239	5	108.6545	1.651	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.1960	0.851	2	109.1960	0.725	2	109.1960	0.725	2	108.6545	1.651	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3835	0.062	2	107.3835	0.004	2	107.3835	0.004	2	107.3835	0.004	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	110.5720	0.000	1	111.8086	0.511	5	111.8086	0.511	5	111.4468	0.493	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.1178	0.209	4	111.8086	0.511	5	111.8086	0.511	5	111.4468	0.493	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.8697	0.349	4	110.8697	0.122	4	110.8697	0.122	4	111.4468	0.493	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.4468	0.493	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2	H(C[5,6]C[5,6]Se[6]C[5])	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]Se[6]C[5])	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	111.4468	0.493	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	114.8630	0.000	1	111.7004	3.224	5	111.2463	3.816	6	111.2463	3.816	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.9098	0.363	4	111.7004	3.224	5	111.2463	3.816	6	111.2463	3.816	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.9760	0.000	1	108.9760	0.000	1	111.2463	3.816	6	111.2463	3.816	6	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:2:3:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	106.5950	0.000	1	106.5950	0.000	1	106.5950	0.000	1	106.5950	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6,6]C[5]O[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5,6]C[5,6,6]C[5]O[6])	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.6547	2.305	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	113.1260	0.000	1	113.1260	0.000	1	110.3930	5.965	4	110.6547	2.305	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.3930	0.000	1	108.3325	0.007	2	110.3930	5.965	4	110.6547	2.305	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	108.2720	0.000	1	108.3325	0.007	2	110.3930	5.965	4	110.6547	2.305	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.7810	0.000	1	111.7810	0.000	1	110.3930	5.965	4	110.6547	2.305	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.8875	0.121	4	110.8875	0.015	4	110.8875	0.015	4	110.6547	2.305	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:N-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	112.1778	5.055	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	113.2603	3.980	3	113.2603	15.840	3	113.2603	15.840	3	112.1778	5.055	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	112.1778	5.055	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]C[5]O[6])	111.4870	0.000	2	111.4870	0.000	2	111.7997	0.293	3	112.1778	5.055	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.4250	0.000	1	112.4250	0.000	1	111.7997	0.293	3	112.1778	5.055	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	112.1778	5.055	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.4400	0.491	2	108.4400	0.241	2	108.4400	0.241	2	108.4400	0.241	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.8020	0.158	4	112.8020	0.025	4	111.7189	4.291	8	111.7189	4.291	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H){1|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	106.7430	0.000	1	106.7430	0.000	1	111.7189	4.291	8	111.7189	4.291	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.9333	0.430	3	111.9333	0.185	3	111.7189	4.291	8	111.7189	4.291	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:N-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	113.1970	1.076	2	113.1970	1.158	2	113.1970	1.158	2	113.1840	0.580	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	113.1580	0.000	1	113.1580	0.000	1	113.1580	0.000	1	113.1840	0.580	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[5,6]C[3,5,6]C[5]O[6])	111.0618	0.388	8	111.0377	0.137	9	111.0377	0.137	9	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[5,6]C[3,5,6]C[5]O[6])	110.8450	0.000	1	111.0377	0.137	9	111.0377	0.137	9	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2	H(C[5,6]C[5,3x6]C[5]O[6])	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5,6]C[5,3x6]C[5]O[6])	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]O[6])	111.6530	0.167	2	111.6530	0.028	2	111.8227	0.060	4	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]O[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5]O[6])	112.1290	0.000	1	112.1290	0.000	1	111.8227	0.060	4	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]O[6])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5,6]C[5,5,6]C[5]O[6])	111.8560	0.000	1	111.8560	0.000	1	111.8227	0.060	4	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]O[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]O[6])	109.0190	0.124	2	109.0190	0.015	2	109.0190	0.015	2	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.7910	0.000	1	111.8260	0.002	2	111.8260	0.002	2	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8610	0.000	1	111.8260	0.002	2	111.8260	0.002	2	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	109.7570	0.000	1	110.0140	0.132	2	110.2971	0.239	8	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.2710	0.000	1	110.0140	0.132	2	110.2971	0.239	8	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.5798	0.255	5	110.3915	0.265	6	110.2971	0.239	8	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	109.4500	0.000	1	110.3915	0.265	6	110.2971	0.239	8	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.9460	0.000	1	108.9460	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	110.9910	0.000	1	110.9910	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.9220	0.000	1	110.9220	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2{1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	109.2110	0.000	2	109.2110	0.000	2	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.1510	0.000	1	112.1510	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.1765	0.175	2	111.1765	0.031	2	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	111.2560	0.000	1	111.2560	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	111.2410	0.000	1	111.2410	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	110.0560	0.000	1	110.0560	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	111.6730	0.000	1	111.6730	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.7720	0.000	1	112.0660	0.173	2	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.3600	0.000	1	112.0660	0.173	2	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.6740	0.717	2	109.9240	0.307	4	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.1740	0.395	2	109.9240	0.307	4	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.2180	0.000	1	112.2180	0.000	1	110.7398	1.206	19	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	109.2210	1.071	2	109.2210	1.146	2	109.2463	0.575	3	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]S[6])	109.2970	0.000	1	109.2970	0.000	1	109.2463	0.575	3	110.6243	1.088	50	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	H(C[5,6]C[3,5,6]C[5]O[6])	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H)	H(C[5,6]C[5,5,6,6]C[5]O[6])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H){1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5]O[6])	113.3600	0.000	1	113.3600	0.000	1	113.3600	0.000	1	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H){1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.3830	0.000	1	107.1665	0.094	2	107.1665	0.094	2	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H){1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	106.9500	0.000	1	107.1665	0.094	2	107.1665	0.094	2	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.0350	0.000	1	111.0350	0.000	1	111.0350	0.000	1	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:N-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	117.0530	0.000	1	117.0530	0.000	1	117.0530	0.000	1	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.7350	0.420	5	110.7350	0.177	5	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8110	0.000	1	111.5240	0.071	3	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.3805	0.139	2	111.5240	0.071	3	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	108.4650	0.167	5	108.4650	0.028	5	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.1000	0.000	1	112.1000	0.000	1	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	106.4690	0.000	1	106.4690	0.000	1	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.2070	0.000	1	112.2070	0.000	1	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.3990	0.000	1	112.3990	0.000	1	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	109.1060	0.000	1	109.1060	0.000	1	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	109.4163	0.669	3	109.4163	0.447	3	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	110.1905	1.074	2	110.1905	1.154	2	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.0570	0.000	1	109.0570	0.000	1	110.0225	2.380	24	110.3299	4.660	31	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	111.4090	0.013	2	111.4090	0.000	2	111.4090	0.000	2	111.4090	0.000	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.4890	0.300	2	111.4890	0.090	2	111.1273	0.437	3	111.1273	0.437	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.4040	0.000	1	110.4040	0.000	1	111.1273	0.437	3	111.1273	0.437	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	109.1807	0.541	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.6050	0.037	2	109.6050	0.001	2	109.6050	0.001	2	109.1807	0.541	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	108.3139	1.330	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	108.3139	1.330	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	110.8240	0.000	1	110.8240	0.000	1	108.4932	1.677	6	108.3139	1.330	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	108.7160	0.000	2	108.7160	0.000	2	108.4932	1.677	6	108.3139	1.330	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.5677	0.376	3	107.5677	0.141	3	108.4932	1.677	6	108.3139	1.330	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8030	0.000	1	108.8030	0.000	1	109.3507	0.275	3	108.7024	0.965	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6245	0.316	2	109.6245	0.100	2	109.3507	0.275	3	108.7024	0.965	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4675	0.518	2	108.4675	0.269	2	108.4675	0.269	2	108.7024	0.965	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	106.6100	0.000	1	106.6100	0.000	1	106.6100	0.000	1	108.7024	0.965	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.0110	0.000	2	109.0110	0.000	2	109.0110	0.000	2	108.7024	0.965	8	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2250	0.000	1	108.3005	1.709	2	108.8840	1.876	3	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3760	0.000	1	108.3005	1.709	2	108.8840	1.876	3	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0510	0.000	1	110.0510	0.000	1	108.8840	1.876	3	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6000	0.667	4	107.6000	0.445	4	107.6544	1.729	12	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4280	0.000	1	107.2180	0.937	7	107.6544	1.729	12	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5282	0.577	4	107.2180	0.937	7	107.6544	1.729	12	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1620	0.000	1	107.2180	0.937	7	107.6544	1.729	12	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8230	0.000	1	107.2180	0.937	7	107.6544	1.729	12	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9270	0.000	1	110.9270	0.000	1	107.6544	1.729	12	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	107.8271	2.261	17	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7510	0.000	2	109.7510	0.000	2	109.4938	0.088	4	109.4938	0.088	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2550	0.000	1	109.2365	0.001	2	109.4938	0.088	4	109.4938	0.088	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2180	0.000	1	109.2365	0.001	2	109.4938	0.088	4	109.4938	0.088	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2490	0.000	1	112.2490	0.000	1	109.4730	5.849	3	109.4730	5.849	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0850	0.372	2	108.0850	0.138	2	109.4730	5.849	3	109.4730	5.849	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.5000	0.000	1	107.7321	0.678	11	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0130	0.000	1	107.7321	0.678	11	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0640	1.457	2	107.7321	0.678	11	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5670	0.868	4	107.7321	0.678	11	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0480	0.297	3	107.7321	0.678	11	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5520	0.000	1	109.5520	0.000	1	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.8183	0.230	3	108.5828	0.257	4	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8760	0.000	1	108.5828	0.257	4	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.7920	0.000	1	108.7920	0.000	1	108.1016	0.785	17	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	108.3083	1.508	18	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2	H(C[5,6]C[3,5,6]C[5]N[6])	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[3,5,6]C[5]N[6])	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2{1|O<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5]C[6])	108.1190	0.380	2	108.1190	0.145	2	108.1190	0.145	2	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2	H(C[5,6]C[5,5,3x6]C[5]C[6])	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,3x6]C[5]C[6])	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.5310	0.000	1	107.5310	0.000	1	107.0585	0.447	2	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.5860	0.000	1	106.5860	0.000	1	107.0585	0.447	2	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	114.2365	2.123	2	114.2365	4.509	2	110.7940	11.038	5	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(H)2{1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.7200	0.000	1	108.7200	0.000	1	110.7940	11.038	5	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2080	0.000	1	108.2080	0.000	1	110.7940	11.038	5	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5690	0.000	1	108.5690	0.000	1	110.7940	11.038	5	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3600	0.000	1	108.3600	0.000	1	108.3600	0.000	1	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2{1|H<1>,1|S<2>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.5170	0.000	1	113.5170	0.000	1	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5200	0.332	2	107.5200	0.110	2	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0770	0.000	1	107.0770	0.000	1	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	114.1280	0.000	1	114.1280	0.000	1	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2{2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3230	0.000	1	107.3230	0.000	1	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.0360	0.000	1	113.0360	0.000	1	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1890	0.000	1	107.3990	0.088	2	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.6090	0.000	1	107.3990	0.088	2	109.4354	9.687	9	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7145	0.091	2	108.7145	0.008	2	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0850	0.000	1	107.5138	1.113	4	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7360	0.000	1	107.5138	1.113	4	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1170	1.628	2	107.5138	1.113	4	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4420	0.000	1	108.6608	1.062	8	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7767	0.207	3	108.6608	1.062	8	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0300	1.209	2	108.6608	1.062	8	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2870	0.000	1	108.6608	1.062	8	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1670	0.000	1	108.6608	1.062	8	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6660	0.000	1	106.6660	0.000	1	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8775	0.548	2	109.3323	1.042	3	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2420	0.000	1	109.3323	1.042	3	108.4129	1.315	18	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5,6]C[5,6]C[5]N[6])	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.3400	0.263	2	111.3400	0.069	2	111.3400	0.069	2	109.0754	4.779	45	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|C<3>,2|C<4>,2|O<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9900	0.093	2	109.9900	0.009	2	109.4077	0.456	4	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8255	0.066	2	108.8255	0.004	2	109.4077	0.456	4	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7515	0.043	2	107.7515	0.002	2	107.7515	0.002	2	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H){1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	105.3030	0.000	1	105.3030	0.000	1	105.3030	0.000	1	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.2810	0.000	1	111.2810	0.000	1	111.7945	0.527	2	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	112.3080	0.000	1	112.3080	0.000	1	111.7945	0.527	2	109.0043	3.586	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9910	0.000	1	107.9910	0.000	1	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2650	0.000	1	108.4275	1.403	2	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5900	0.000	1	108.4275	1.403	2	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.0130	0.000	1	113.0130	0.000	1	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.4390	0.000	1	105.4390	0.000	1	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.9210	0.000	1	103.9210	0.000	1	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1983	1.276	3	109.1983	1.627	3	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9450	0.000	1	108.8353	0.012	3	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7805	0.073	2	108.8353	0.012	3	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.1800	0.000	1	109.1800	0.000	1	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.8270	0.000	1	109.8270	0.000	1	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|O<1>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.1150	0.000	1	109.1150	0.000	1	108.6295	4.272	15	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	108.6180	4.261	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0290	0.000	1	108.0290	0.000	1	107.6215	0.332	2	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2140	0.000	1	107.2140	0.000	1	107.6215	0.332	2	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0213	1.025	4	108.0213	1.050	4	108.4087	1.035	6	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5190	0.000	1	109.5190	0.000	1	108.4087	1.035	6	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8480	0.000	1	108.8480	0.000	1	108.4087	1.035	6	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.1290	0.000	1	110.1290	0.000	1	108.8308	1.230	5	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0560	0.000	1	107.0560	0.000	1	108.8308	1.230	5	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0480	0.000	1	109.0480	0.000	1	108.8308	1.230	5	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9605	0.046	2	108.9605	0.002	2	108.8308	1.230	5	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	110.2670	0.000	1	110.2670	0.000	1	108.7915	4.354	2	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	107.3160	0.000	1	107.3160	0.000	1	108.7915	4.354	2	108.4955	1.221	15	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|O<2>,5|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	108.0960	0.013	2	108.0960	0.000	2	108.0960	0.000	2	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5]C[6])	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5]C[6])	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H)	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.4935	0.039	2	108.4935	0.002	2	108.4935	0.002	2	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	113.0120	0.000	1	113.0120	0.000	1	110.2379	18.486	8	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	114.8675	3.227	2	114.2920	6.199	3	110.2379	18.486	8	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	113.1410	0.000	1	114.2920	6.199	3	110.2379	18.486	8	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2695	0.411	2	106.5037	1.409	4	110.2379	18.486	8	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	105.7380	1.308	2	106.5037	1.409	4	110.2379	18.486	8	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	114.3080	0.000	1	114.3080	0.000	1	109.2134	6.009	7	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.0980	0.000	1	107.0980	0.000	1	109.2134	6.009	7	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7060	0.000	1	107.7060	0.000	1	109.2134	6.009	7	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0355	0.005	2	108.8455	0.937	4	109.2134	6.009	7	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.6555	0.432	2	108.8455	0.937	4	109.2134	6.009	7	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]N[6])	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.9020	0.173	5	109.9020	0.030	5	109.9020	0.030	5	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0930	0.000	1	110.0930	0.000	1	109.6117	0.174	3	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.3710	0.000	2	109.3710	0.000	2	109.6117	0.174	3	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.5530	0.000	1	112.5530	0.000	1	109.1000	3.046	6	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.8980	0.033	2	108.8980	0.001	2	109.1000	3.046	6	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9405	0.054	2	107.9405	0.003	2	109.1000	3.046	6	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3700	0.000	1	108.3700	0.000	1	109.1000	3.046	6	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]N[6])	106.3630	0.000	1	106.3630	0.000	1	106.3630	0.000	1	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H){1|O<1>,1|O<2>,4|C<3>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7530	0.000	1	107.1335	0.768	2	107.1335	0.768	2	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5140	0.000	1	107.1335	0.768	2	107.1335	0.768	2	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1740	0.000	1	108.1740	0.000	1	107.7214	1.019	11	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1245	0.257	2	106.1245	0.066	2	107.7214	1.019	11	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8230	0.000	1	108.7690	1.790	2	107.7214	1.019	11	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)2(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.7150	0.000	1	108.7690	1.790	2	107.7214	1.019	11	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8290	0.392	6	107.8290	0.154	6	107.7214	1.019	11	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6830	0.384	3	109.6375	0.106	4	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5010	0.000	1	109.6375	0.106	4	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.3610	0.000	1	106.6255	0.140	2	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8900	0.000	1	106.6255	0.140	2	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.4530	0.000	1	111.4530	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	113.8660	0.264	3	113.8660	0.070	3	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4860	0.000	1	106.4860	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2300	0.000	1	108.2300	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.9690	0.000	1	111.9690	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2180	0.000	1	112.2180	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7410	0.000	1	111.7410	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5547	0.357	4	111.6518	0.110	6	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8460	0.232	2	111.6518	0.110	6	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6340	0.000	1	111.6340	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.3420	0.000	1	111.3420	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4560	0.025	2	106.0471	0.163	14	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.2523	0.734	3	106.0471	0.163	14	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.8878	0.211	9	106.0471	0.163	14	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.3845	0.265	2	106.3845	0.070	2	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4280	0.000	1	108.7540	0.909	2	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0800	0.000	1	108.7540	0.909	2	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1697	0.312	7	107.8819	0.520	10	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7785	1.022	2	107.8819	0.520	10	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|N<3>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0740	0.000	1	107.8819	0.520	10	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5050	0.000	1	109.5050	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2870	0.147	2	109.4440	1.413	4	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6010	1.172	2	109.4440	1.413	4	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7390	0.000	1	107.7390	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1770	0.000	1	107.1770	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0910	0.000	1	109.0910	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1690	0.000	1	108.1690	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2770	0.000	1	109.2770	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3480	0.000	1	107.3480	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2250	0.000	1	108.2250	0.000	1	108.6737	5.533	63	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	107.8375	0.346	2	107.8375	0.120	2	107.8375	0.120	2	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.6795	0.177	2	111.5563	0.140	10	111.4172	0.343	12	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.1255	0.356	2	111.5563	0.140	10	111.4172	0.343	12	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.5778	0.331	5	111.5563	0.140	10	111.4172	0.343	12	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|Ni<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	112.0640	0.000	1	111.5563	0.140	10	111.4172	0.343	12	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.9000	0.000	1	109.9000	0.000	1	111.4172	0.343	12	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.5430	0.000	1	111.5430	0.000	1	111.4172	0.343	12	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.8070	0.000	1	111.8070	0.000	1	111.7540	0.006	2	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.7010	0.000	1	111.7010	0.000	1	111.7540	0.006	2	109.0637	5.405	132	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3140	0.000	1	108.7715	0.419	2	108.7715	0.419	2	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2290	0.000	1	108.7715	0.419	2	108.7715	0.419	2	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[3]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H){1|C<3>,1|O<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.6490	0.000	1	111.6490	0.000	1	107.9095	6.609	4	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0970	0.000	1	106.0970	0.000	1	107.9095	6.609	4	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3540	0.000	1	106.3540	0.000	1	107.9095	6.609	4	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5380	0.000	1	107.5380	0.000	1	107.9095	6.609	4	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.5490	0.000	1	111.5490	0.000	1	110.3263	1.920	3	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.7150	1.264	2	109.7150	1.598	2	110.3263	1.920	3	108.8169	3.511	11	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:2:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-2:C-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(CN)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(CN)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	108.7400	4.667	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7030	0.000	2	111.7030	0.000	2	108.4955	6.194	6	108.7400	4.667	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.7750	0.102	2	106.7750	0.010	2	108.4955	6.194	6	108.7400	4.667	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0085	0.206	2	107.0085	0.042	2	108.4955	6.194	6	108.7400	4.667	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	108.7400	4.667	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	108.7400	4.667	9	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6825	0.087	2	111.6825	0.008	2	111.6825	0.008	2	111.6825	0.008	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8550	0.168	3	111.8550	0.028	3	109.4463	4.206	8	108.9987	4.229	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9675	0.030	2	107.9675	0.001	2	109.4463	4.206	8	108.9987	4.229	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0120	0.000	1	107.0120	0.000	1	109.4463	4.206	8	108.9987	4.229	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5250	0.000	1	108.5290	0.000	2	109.4463	4.206	8	108.9987	4.229	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5330	0.000	1	108.5290	0.000	2	109.4463	4.206	8	108.9987	4.229	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	108.9987	4.229	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	108.9987	4.229	10	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9380	0.000	1	107.9380	0.000	1	110.0600	9.006	2	109.2283	6.578	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|O<2>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1820	0.000	1	112.1820	0.000	1	110.0600	9.006	2	109.2283	6.578	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5650	0.000	1	107.5650	0.000	1	107.5650	0.000	1	109.2283	6.578	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7895	0.392	2	110.7895	0.154	2	110.3317	0.706	3	110.3317	0.706	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4160	0.000	1	109.4160	0.000	1	110.3317	0.706	3	110.3317	0.706	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.3170	0.331	2	108.3170	0.110	2	108.3170	0.110	2	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2340	0.000	1	105.2340	0.000	1	105.2340	0.000	1	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.4788	0.276	10	105.4788	0.076	10	105.6530	0.402	11	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.3950	0.000	1	107.3950	0.000	1	105.6530	0.402	11	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.8920	0.000	1	106.8920	0.000	1	109.8464	8.608	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4980	0.000	1	110.4980	0.000	1	109.8464	8.608	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2648	3.715	4	110.2648	13.799	4	109.8464	8.608	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4760	0.000	1	110.4760	0.000	1	109.8464	8.608	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0090	0.000	1	106.0090	0.000	1	106.6958	0.680	6	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7505	0.083	2	107.7505	0.007	2	106.6958	0.680	6	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.2217	0.101	3	106.2217	0.010	3	106.6958	0.680	6	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0210	0.000	2	108.0210	0.000	2	108.9953	2.848	3	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9440	0.000	1	110.9440	0.000	1	108.9953	2.848	3	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.4890	0.483	3	103.4890	0.234	3	104.0882	0.790	5	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9870	0.000	2	104.9870	0.000	2	104.0882	0.790	5	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7110	0.000	1	107.7110	0.000	1	108.4070	5.937	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	111.2680	0.000	1	111.2680	0.000	1	108.4070	5.937	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.7820	0.000	1	110.7820	0.000	1	108.4070	5.937	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.7005	0.185	2	107.2720	5.387	4	108.4070	5.937	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6110	0.000	1	107.2720	5.387	4	108.4070	5.937	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0760	0.000	1	107.2720	5.387	4	108.4070	5.937	7	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	106.5230	0.000	1	106.5230	0.000	1	106.5230	0.000	1	107.1151	6.079	43	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.6130	0.000	1	105.6130	0.000	1	105.6130	0.000	1	104.4560	2.677	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H){3|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.2990	0.000	1	103.2990	0.000	1	103.2990	0.000	1	104.4560	2.677	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	101.8210	0.000	1	101.8210	0.000	1	101.8210	0.000	1	101.8210	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H){2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	109.4885	1.872	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	109.4885	1.872	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2203	1.098	3	106.1695	0.814	4	106.1695	0.814	4	106.1695	0.814	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){3|C<3>,3|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0170	0.000	1	106.1695	0.814	4	106.1695	0.814	4	106.1695	0.814	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	107.6423	10.215	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.0680	0.000	1	104.0680	0.000	1	104.0680	0.000	1	107.6423	10.215	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5,6]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H)	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	107.6423	10.215	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[4,5,6]C[5]C[6])	108.2210	0.000	1	108.2210	0.000	1	108.2210	0.000	1	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.8620	0.000	1	111.8620	0.000	1	110.2185	3.168	6	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.7430	0.000	1	111.7430	0.000	1	110.2185	3.168	6	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.1955	1.599	2	109.9040	2.784	3	110.2185	3.168	6	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.3210	0.000	1	109.9040	2.784	3	110.2185	3.168	6	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9940	0.000	1	107.9940	0.000	1	110.2185	3.168	6	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.8270	0.000	1	108.8270	0.000	1	109.1060	1.688	4	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.3130	0.000	1	108.3130	0.000	1	109.1060	1.688	4	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2670	0.000	1	108.2670	0.000	1	109.1060	1.688	4	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	111.0170	0.000	1	111.0170	0.000	1	109.1060	1.688	4	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.0337	0.413	3	111.0337	0.170	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9260	0.000	1	110.9260	0.000	1	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6005	1.339	4	108.6005	1.792	4	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0830	0.000	1	107.9470	2.581	2	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8110	0.000	1	107.9470	2.581	2	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0100	0.000	1	109.0476	2.158	5	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0570	1.696	4	109.0476	2.158	5	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7120	0.095	2	108.7120	0.009	2	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8520	0.000	1	109.4980	3.469	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2680	0.000	1	109.4980	3.469	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3740	0.000	1	109.4980	3.469	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7530	0.450	3	107.7530	0.202	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<3>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9630	0.000	1	110.8087	0.018	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7315	0.026	2	110.8087	0.018	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3950	0.000	1	110.3915	2.014	2	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3880	0.000	1	110.3915	2.014	2	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7120	1.348	3	109.7120	1.818	3	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1060	0.000	1	107.1060	0.000	1	109.3184	2.260	32	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H)	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]C[5]S[6])	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.8040	0.000	1	110.8040	0.000	1	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5310	0.000	1	110.5310	0.000	1	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2330	0.000	1	111.2330	0.000	1	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9650	0.000	1	108.9650	0.000	1	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4240	0.012	3	108.5862	0.105	4	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0730	0.000	1	108.5862	0.105	4	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7350	0.000	1	108.1906	0.113	5	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3045	0.254	4	108.1906	0.113	5	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3717	0.681	3	108.3717	0.464	3	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2980	0.000	1	108.3555	0.007	2	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4130	0.000	1	108.3555	0.007	2	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2500	0.000	1	106.2500	0.000	1	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3500	0.000	1	107.3500	0.000	1	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9900	0.354	2	105.9900	0.125	2	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5690	0.000	1	108.5690	0.000	1	108.3829	1.737	23	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4530	0.000	1	107.4530	0.000	1	107.6254	0.851	5	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1780	0.000	1	107.1780	0.000	1	107.6254	0.851	5	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9960	0.000	1	107.9960	0.000	1	107.6254	0.851	5	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5240	0.000	1	106.5240	0.000	1	107.6254	0.851	5	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9760	0.000	1	108.9760	0.000	1	107.6254	0.851	5	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9500	0.000	1	110.9500	0.000	1	108.7511	1.657	8	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3400	0.000	1	108.4845	0.042	2	108.7511	1.657	8	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6290	0.000	1	108.4845	0.042	2	108.7511	1.657	8	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4920	0.000	1	107.4920	0.000	1	108.7511	1.657	8	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.5710	0.000	1	110.5710	0.000	1	108.7511	1.657	8	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0090	0.129	3	108.0090	0.017	3	108.7511	1.657	8	109.0356	2.401	83	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9400	0.000	1	108.4377	0.191	3	108.5067	0.109	6	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.1865	0.052	2	108.4377	0.191	3	108.5067	0.109	6	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5140	0.000	1	108.5140	0.000	1	108.5067	0.109	6	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6065	0.357	2	108.6065	0.128	2	108.5067	0.109	6	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	109.6020	0.000	1	111.0745	4.337	2	109.9567	5.917	3	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	112.5470	0.000	1	111.0745	4.337	2	109.9567	5.917	3	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H){1|O<1>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	107.7210	0.000	1	107.7210	0.000	1	109.9567	5.917	3	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6820	0.000	1	111.0337	0.097	3	111.5968	1.333	4	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2095	0.097	2	111.0337	0.097	3	111.5968	1.333	4	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.2860	0.000	1	113.2860	0.000	1	111.5968	1.333	4	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9547	0.190	3	108.0577	0.066	4	108.0577	0.066	4	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3670	0.000	1	108.0577	0.066	4	108.0577	0.066	4	109.3122	2.917	19	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.6560	0.000	2	106.6560	0.000	2	106.6560	0.000	2	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.5560	0.086	2	109.5560	0.007	2	109.5560	0.007	2	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.7490	0.000	1	110.7490	0.000	1	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2140	0.000	1	111.2140	0.000	1	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9800	0.000	1	106.0960	7.099	2	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.2120	0.000	1	106.0960	7.099	2	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2000	0.000	1	109.6093	0.678	4	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9525	0.548	2	109.6093	0.678	4	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.3320	0.000	1	109.6093	0.678	4	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3120	0.000	1	111.3120	0.000	1	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0520	0.000	1	108.0520	0.000	1	109.1956	4.590	10	108.8843	4.086	14	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	107.9585	0.192	2	107.9585	0.037	2	107.9585	0.037	2	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,5,6]C[3,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[3,6]C[5])	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1680	0.095	3	108.1680	0.009	3	108.1680	0.009	3	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1760	0.000	1	107.1760	0.000	1	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9330	0.000	1	106.9330	0.000	1	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0957	1.077	4	108.7468	1.028	6	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0490	0.448	2	108.7468	1.028	6	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3770	0.000	1	107.0260	0.246	2	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6750	0.000	1	107.0260	0.246	2	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3400	0.000	1	110.3400	0.000	1	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8490	0.000	1	107.8490	0.000	1	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6310	0.000	1	110.6310	0.000	1	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1780	0.000	1	108.1780	0.000	1	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	102.2550	0.000	1	102.2550	0.000	1	107.9930	4.136	15	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[5,6]C[5,6]C[5]S[6])	107.8450	0.000	1	107.8450	0.000	1	108.0645	0.096	2	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[5]S[6])	108.2840	0.000	1	108.2840	0.000	1	108.0645	0.096	2	107.9691	2.586	24	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.4820	0.692	2	107.4820	0.478	2	107.4820	0.478	2	107.1030	0.670	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	107.1030	0.670	3	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	109.1825	8.959	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H){3|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	109.1825	8.959	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3){3|H<1>,4|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.8650	0.000	1	107.8650	0.000	1	109.4330	4.917	2	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H){1|H<1>,2|C<4>}	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	111.0010	0.000	1	111.0010	0.000	1	109.4330	4.917	2	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.5143	0.290	7	110.5143	0.084	7	110.5143	0.084	7	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.2150	0.124	2	105.2150	0.015	2	104.8113	0.497	3	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	104.0040	0.000	1	104.0040	0.000	1	104.8113	0.497	3	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2{3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.2540	0.000	1	107.2540	0.000	1	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1040	0.000	1	110.9373	0.016	4	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8817	0.077	3	110.9373	0.016	4	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.3318	0.413	10	111.3318	0.171	10	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9160	0.000	1	110.9160	0.000	1	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9120	0.000	1	110.9120	0.000	1	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0830	0.000	1	111.2785	0.076	2	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4740	0.000	1	111.2785	0.076	2	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8325	0.235	2	108.2555	0.871	4	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6785	1.357	2	108.2555	0.871	4	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.4120	0.000	1	108.4120	0.000	1	110.4225	2.105	24	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3753	0.023	3	110.3753	0.001	3	110.3129	1.020	8	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9370	0.102	3	110.9370	0.010	3	110.3129	1.020	8	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6650	0.000	1	110.6650	0.000	1	110.3129	1.020	8	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9010	0.000	1	107.9010	0.000	1	110.3129	1.020	8	109.9896	3.495	44	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[3,5,6]C[5]C[6])	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0455	1.938	2	108.5531	0.896	16	108.4135	0.958	18	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.4827	0.838	14	108.5531	0.896	16	108.4135	0.958	18	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.1610	0.000	1	107.1610	0.000	1	108.4135	0.958	18	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.4330	0.000	1	107.4330	0.000	1	108.4135	0.958	18	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.5580	0.000	1	111.5580	0.000	1	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3110	0.000	1	107.3110	0.000	1	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.1287	0.296	3	107.2032	0.081	4	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.4270	0.000	1	107.2032	0.081	4	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.1760	0.000	1	111.1760	0.000	1	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.5390	0.000	1	106.5390	0.000	1	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.9800	0.000	1	111.9800	0.000	1	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.1805	0.035	2	107.1805	0.001	2	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1650	0.095	2	112.1650	0.009	2	108.9283	5.735	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	109.6265	0.377	2	109.6265	0.142	2	109.6265	0.142	2	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.9140	0.000	1	111.9140	0.000	1	110.0959	0.602	8	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.7220	0.144	5	109.7220	0.021	5	110.0959	0.602	8	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.1215	0.357	2	110.1215	0.128	2	110.0959	0.602	8	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.8550	0.000	1	111.8550	0.000	1	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.9780	0.000	1	111.9780	0.000	1	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.3030	0.000	1	112.3030	0.000	1	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.2070	0.000	1	109.8144	2.325	5	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.8050	0.000	1	109.8144	2.325	5	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7630	0.000	1	109.8144	2.325	5	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.6485	0.357	2	109.8144	2.325	5	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.6920	0.000	1	106.6920	0.000	1	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3810	0.000	1	107.3810	0.000	1	109.9281	4.431	10	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.1558	0.172	5	110.1558	0.030	5	110.1558	0.030	5	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5990	0.000	1	108.5990	0.000	1	109.4437	0.537	3	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8660	0.061	2	109.8660	0.004	2	109.4437	0.537	3	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	111.0470	0.000	1	111.0470	0.000	1	109.0418	1.340	17	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.6532	0.139	4	108.7958	0.888	13	109.0418	1.340	17	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	109.3503	1.097	3	108.7958	0.888	13	109.0418	1.340	17	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0410	0.000	1	108.7958	0.888	13	109.0418	1.340	17	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	108.7282	1.284	5	108.7958	0.888	13	109.0418	1.340	17	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5,6]C[5,6]2C[5])	107.5580	0.000	1	107.5580	0.000	1	109.0418	1.340	17	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	110.3800	0.436	2	110.3800	0.190	2	109.0418	1.340	17	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	106.7265	0.493	2	106.7265	0.243	2	106.7265	0.243	2	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:B[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(B[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(B[5]O[5]O)(H)2{5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.0910	0.000	1	104.0910	0.000	1	104.0910	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4030	0.000	1	109.0465	0.828	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6900	0.000	1	109.0465	0.828	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4040	0.000	1	111.4040	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.9860	0.000	1	105.9860	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.0890	0.000	1	115.0890	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.6760	0.000	1	103.6760	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.6650	0.092	2	104.6650	0.008	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9590	0.160	2	110.2963	1.330	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9710	0.000	1	110.2963	1.330	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.0160	0.000	1	106.3076	4.883	8	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8260	0.000	1	106.3076	4.883	8	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8310	0.000	1	106.3076	4.883	8	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.4055	2.440	2	106.3076	4.883	8	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6940	0.000	1	106.3076	4.883	8	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6415	0.224	2	106.3076	4.883	8	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	106.5380	0.000	1	106.5380	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.0405	0.071	2	110.0405	0.005	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9710	0.000	1	109.7600	1.245	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5490	0.000	1	109.7600	1.245	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|F<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1100	0.000	1	110.1100	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|Br<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.4450	0.256	2	105.4450	0.066	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0480	0.000	1	108.0480	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3160	0.000	1	109.3160	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8790	0.000	1	108.8790	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.4130	0.000	1	113.4130	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6435	0.067	2	108.6435	0.005	2	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2640	0.790	3	111.2640	0.624	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9620	0.000	1	110.9620	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6520	0.000	1	108.6700	1.420	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3440	0.000	1	108.6700	1.420	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|Os<6>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0140	0.000	1	108.6700	1.420	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7420	0.000	1	108.3230	0.180	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1135	0.312	2	108.3230	0.180	3	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5130	0.000	1	107.5130	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3340	0.000	1	110.3340	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.9480	0.000	1	109.9480	0.000	1	108.5334	6.596	46	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1460	0.000	1	108.1460	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4010	0.000	1	111.4010	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3670	0.000	1	108.3670	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0600	0.000	1	111.0600	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|I<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4320	0.000	1	111.4320	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.9520	0.000	1	109.9520	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1260	0.000	1	108.1260	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9850	0.000	1	107.9850	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8775	1.524	2	108.8942	1.205	4	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1070	0.000	1	108.8942	1.205	4	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7150	0.000	1	108.8942	1.205	4	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8030	0.000	1	110.8030	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8290	0.000	1	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7940	1.638	2	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2327	0.021	3	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3440	0.000	1	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3455	0.278	2	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8000	0.263	2	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7470	2.937	2	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4540	0.000	1	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4910	0.000	1	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8020	0.000	1	108.4994	1.933	16	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0430	0.000	1	108.0430	0.000	1	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7774	1.173	7	108.7774	1.377	7	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6773	0.414	3	108.6773	0.171	3	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6110	0.832	5	107.8575	0.744	8	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2683	0.902	3	107.8575	0.744	8	108.6920	1.722	48	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.5463	0.876	7	109.5463	0.767	7	109.5463	0.767	7	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9165	0.067	2	105.9165	0.005	2	105.9165	0.005	2	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8690	0.000	1	104.8690	0.000	1	105.3480	0.212	6	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8590	0.000	1	105.4438	0.196	5	105.3480	0.212	6	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3400	0.436	4	105.4438	0.196	5	105.3480	0.212	6	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6690	0.000	1	106.6690	0.000	1	106.6690	0.000	1	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.1720	0.000	1	105.7397	2.111	3	105.6324	1.212	5	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0060	0.000	1	105.7397	2.111	3	105.6324	1.212	5	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0410	0.000	1	105.7397	2.111	3	105.6324	1.212	5	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9520	0.000	1	105.4715	0.540	2	105.6324	1.212	5	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,2|N<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9910	0.000	1	105.4715	0.540	2	105.6324	1.212	5	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5740	0.000	1	110.5740	0.000	1	110.6540	0.013	2	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7340	0.000	1	110.7340	0.000	1	110.6540	0.013	2	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2090	0.000	1	107.2090	0.000	1	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8675	0.193	2	107.8675	0.037	2	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0690	0.710	5	108.0690	0.504	5	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0920	0.000	1	106.0920	0.000	1	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.8200	0.000	1	114.8200	0.000	1	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7750	0.000	1	106.7750	0.000	1	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9000	0.000	1	99.9018	127.941	2	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	91.9037	0.000	1	99.9018	127.941	2	106.9831	25.004	13	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5065	0.363	2	107.5065	0.132	2	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3090	0.000	1	107.3090	0.000	1	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5210	0.000	1	110.4580	0.008	2	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3950	0.000	1	110.4580	0.008	2	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5860	2.655	3	105.5860	7.050	3	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6285	0.060	2	108.6285	0.004	2	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8020	0.000	1	108.8020	0.000	1	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5440	0.000	1	107.5440	0.000	1	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6620	0.110	2	107.6620	0.012	2	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5920	0.000	1	110.5920	0.000	1	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0710	0.000	1	108.0710	0.000	1	107.9741	3.558	16	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:B[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2{5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2170	1.793	2	105.2170	3.216	2	105.2170	3.216	2	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8600	0.000	1	106.8600	0.000	1	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1025	2.430	4	105.1025	5.905	4	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Br<1>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5250	0.000	1	105.6725	0.180	24	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7900	0.415	4	105.6725	0.180	24	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4277	0.267	6	105.6725	0.180	24	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.5550	0.000	1	105.6725	0.180	24	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7250	0.272	8	105.6725	0.180	24	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1338	0.247	4	105.6725	0.180	24	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4300	0.000	1	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1390	0.000	1	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.9930	0.000	1	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|I<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8805	0.046	2	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2545	0.177	2	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.7720	0.000	1	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2260	0.136	2	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1450	0.000	1	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6445	0.231	2	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1174	0.666	9	105.5703	1.204	22	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6690	0.000	1	106.0562	0.404	6	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2500	0.017	2	106.0562	0.404	6	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3600	0.000	1	106.0562	0.404	6	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4040	0.105	2	106.0562	0.404	6	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5730	0.000	1	107.5730	0.000	1	105.6874	0.993	58	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4289	0.436	8	108.4289	0.190	8	108.4289	0.190	8	107.9730	5.502	302	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	105.0296	3.487	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.3780	0.000	1	106.3780	0.000	1	106.3780	0.000	1	105.0296	3.487	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.4710	0.000	1	102.4710	0.000	1	103.1890	1.031	2	105.0296	3.487	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.9070	0.000	1	103.9070	0.000	1	103.1890	1.031	2	105.0296	3.487	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	105.0296	3.487	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H){5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.4150	0.086	2	104.4150	0.007	2	104.4150	0.007	2	105.0296	3.487	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:O-2:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4405	0.115	2	111.4405	0.013	2	111.4405	0.013	2	111.4405	0.013	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:Se-2:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	108.2440	0.000	1	108.3420	0.019	2	108.3420	0.019	2	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2C[5])	108.4400	0.000	1	108.3420	0.019	2	108.3420	0.019	2	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1590	0.000	1	107.1590	0.000	1	107.5654	0.250	5	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0130	0.000	1	108.0130	0.000	1	107.5654	0.250	5	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4380	0.000	1	107.4380	0.000	1	107.5654	0.250	5	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0540	0.000	1	107.0540	0.000	1	107.5654	0.250	5	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(COO)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1630	0.000	1	108.1630	0.000	1	107.5654	0.250	5	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H){1|Cl<1>,1|C<3>,1|S<2>,1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9620	0.000	1	109.9620	0.000	1	108.4813	1.609	8	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5920	0.000	1	110.5920	0.000	1	108.4813	1.609	8	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3975	0.095	2	108.3975	0.009	2	108.4813	1.609	8	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2030	0.194	2	108.2030	0.038	2	108.4813	1.609	8	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Cl<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0475	0.537	2	107.0475	0.288	2	108.4813	1.609	8	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6300	0.000	1	110.6300	0.000	1	109.0180	5.197	2	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4060	0.000	1	107.4060	0.000	1	109.0180	5.197	2	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7300	0.000	1	108.7300	0.000	1	108.4688	0.786	6	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0240	0.000	1	108.0240	0.000	1	108.4688	0.786	6	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4540	0.000	1	107.4540	0.000	1	108.4688	0.786	6	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8683	1.038	3	108.8683	1.078	3	108.4688	0.786	6	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H)	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H){1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]S[6])	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	108.2215	1.279	30	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	108.1328	4.774	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6])	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6]){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	108.1328	4.774	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8500	0.699	2	107.8500	0.488	2	107.8500	0.488	2	108.1328	4.774	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5212	0.481	4	106.5212	0.231	4	106.5212	0.231	4	106.5940	0.200	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	106.5940	0.200	5	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5595	0.045	2	110.5595	0.002	2	110.5595	0.002	2	110.5595	0.002	2	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5]C[6])	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2152	0.208	4	108.2152	0.043	4	108.3523	0.092	6	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.8550	0.000	1	108.8550	0.000	1	108.3523	0.092	6	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3980	0.000	1	108.3980	0.000	1	108.3523	0.092	6	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.8498	0.541	4	107.8498	0.293	4	108.7538	4.306	5	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	112.3700	0.000	1	112.3700	0.000	1	108.7538	4.306	5	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7420	0.000	1	110.7420	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5730	0.000	1	110.5730	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3590	0.000	1	110.3590	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9170	0.000	1	110.9170	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5215	0.120	2	110.5215	0.014	2	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5910	0.225	2	105.5910	0.051	2	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5760	0.000	1	107.5760	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6560	0.477	2	108.3971	1.152	15	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5980	1.106	12	108.3971	1.152	15	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4680	0.000	1	108.3971	1.152	15	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3450	0.000	1	106.3450	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2930	0.000	1	110.2930	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7170	0.000	1	106.7170	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2670	0.000	1	110.2670	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9860	0.000	1	110.9860	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5650	0.000	1	110.5650	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1750	0.000	1	107.1750	0.000	1	108.7321	2.854	31	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9400	0.000	1	105.9400	0.000	1	108.7244	1.351	10	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2020	0.000	1	109.2020	0.000	1	108.7244	1.351	10	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9010	0.000	1	109.3260	0.517	5	108.7244	1.351	10	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2580	0.000	1	109.3260	0.517	5	108.7244	1.351	10	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8237	0.237	3	109.3260	0.517	5	108.7244	1.351	10	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5565	0.332	2	108.5565	0.110	2	108.7244	1.351	10	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3590	0.000	1	108.3590	0.000	1	108.7244	1.351	10	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4997	0.752	3	108.4997	0.566	3	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3183	0.214	3	108.3183	0.046	3	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4460	0.000	1	108.4460	0.000	1	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1790	0.000	1	108.9905	1.317	2	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8020	0.000	1	108.9905	1.317	2	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5650	0.000	1	108.5690	1.984	2	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5730	0.000	1	108.5690	1.984	2	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.1315	0.420	4	109.1315	0.176	4	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6790	0.000	1	109.6790	0.000	1	108.7640	0.501	16	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H)	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]S[6])	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8790	0.000	1	106.8790	0.000	1	109.1287	4.934	4	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H){1|Cl<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0540	0.000	1	108.0540	0.000	1	109.1287	4.934	4	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5540	0.000	1	109.5540	0.000	1	109.1287	4.934	4	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0280	0.000	1	112.0280	0.000	1	109.1287	4.934	4	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4523	0.345	3	108.4778	0.082	4	108.0831	0.447	9	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.5540	0.000	1	108.4778	0.082	4	108.0831	0.447	9	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3830	0.000	1	108.3830	0.000	1	108.0831	0.447	9	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2270	0.093	2	108.2270	0.009	2	108.0831	0.447	9	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0000	0.467	2	107.0000	0.218	2	108.0831	0.447	9	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.3315	0.503	2	107.3315	0.253	2	107.3315	0.253	2	108.6538	1.839	87	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	108.1902	5.331	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5080	0.000	1	110.5080	0.000	1	110.1080	0.320	2	108.1902	5.331	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH){2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7080	0.000	1	109.7080	0.000	1	110.1080	0.320	2	108.1902	5.331	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5790	0.000	1	105.5790	0.000	1	105.5790	0.000	1	108.1902	5.331	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(CH3)(COO)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.2130	0.041	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3550	0.143	2	107.3550	0.020	2	107.1820	0.042	6	107.2130	0.041	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8310	0.000	1	106.9905	0.051	2	107.1820	0.042	6	107.2130	0.041	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1500	0.000	1	106.9905	0.051	2	107.1820	0.042	6	107.2130	0.041	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2005	0.059	2	107.2005	0.003	2	107.1820	0.042	6	107.2130	0.041	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){1|C<4>,2|O<2>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5210	0.110	2	108.5210	0.012	2	108.5210	0.012	2	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2C[5])	109.0210	0.000	1	109.2028	0.115	4	109.2028	0.115	4	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2C[5])	109.2633	0.387	3	109.2028	0.115	4	109.2028	0.115	4	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5733	2.517	3	108.1028	5.345	4	108.1766	4.141	8	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6910	0.000	1	108.1028	5.345	4	108.1766	4.141	8	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8170	0.000	1	106.8170	0.000	1	108.1766	4.141	8	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3110	0.000	1	107.3110	0.000	1	108.1766	4.141	8	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|W<7>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4370	2.676	2	109.4370	7.159	2	108.1766	4.141	8	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0440	0.000	1	106.0440	0.000	1	105.5730	0.640	3	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0260	0.000	1	106.0260	0.000	1	105.5730	0.640	3	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.6490	0.000	1	104.6490	0.000	1	105.5730	0.640	3	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.3215	0.296	2	105.5120	0.153	3	105.5120	0.153	3	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	105.8930	0.000	1	105.5120	0.153	3	105.5120	0.153	3	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	107.5007	3.878	21	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[3,5,6]C[5,6]C[5])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{3|O<2>,4|C<4>}	H(C[5,6]C[3,5,6]C[5,6]C[5])	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	108.3785	0.019	2	108.3785	0.000	2	108.3785	0.000	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	105.4440	0.000	1	105.4440	0.000	1	105.4440	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	110.7870	0.000	1	110.7870	0.000	1	108.5735	9.799	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,8|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	106.3600	0.000	1	106.3600	0.000	1	108.5735	9.799	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[3x6]C[5,6]C[5])	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[3x6]C[5,6]C[5])	106.2595	0.284	2	106.2595	0.080	2	106.2595	0.080	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H)	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2	H(C[5,6]C[4,5,6]C[6,6]C[5])	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[5,6]C[4,5,6]C[6,6]C[5])	104.9090	0.239	2	104.9090	0.057	2	104.9090	0.057	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.2985	1.481	2	106.6703	1.512	3	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.4140	0.000	1	106.6703	1.512	3	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.1400	0.000	1	106.1400	0.000	1	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.8700	0.321	2	107.8700	0.103	2	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	108.5505	0.151	2	108.7790	0.204	4	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	108.5710	0.000	1	108.7790	0.204	4	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	109.4440	0.000	1	108.7790	0.204	4	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.8490	0.000	1	106.8490	0.000	1	107.6233	1.473	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[4x6]C[5,6]C[5])	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[4x6]C[5,6]C[5])	104.5030	0.000	1	104.5030	0.000	1	104.5030	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2{2|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.4620	0.184	4	106.4620	0.034	4	106.4620	0.034	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.9908	0.478	5	106.9908	0.229	5	107.1179	0.380	12	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	108.7670	0.000	1	107.2927	0.567	6	107.1179	0.380	12	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.8953	0.075	4	107.2927	0.567	6	107.1179	0.380	12	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<4>,4|H<1>,4|O<2>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	107.4080	0.000	1	107.2927	0.567	6	107.1179	0.380	12	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|O<2>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.7050	0.000	1	106.7050	0.000	1	107.1179	0.380	12	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H){1|O<2>,2|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	H(C[5,6]C[5,3x6]C[5]C[6])	106.5140	0.175	2	106.5140	0.031	2	106.5140	0.031	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,3x6]C[5]C[6])	106.8230	0.000	1	106.8230	0.000	1	106.8230	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2	H(C[5,6]C[5,3x6]C[6,6]C[5])	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[5,6]C[5,3x6]C[6,6]C[5])	107.5080	0.284	3	107.5080	0.081	3	107.5080	0.081	3	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]C[5])	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]C[5])	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.8770	0.000	1	108.6272	0.376	5	108.6272	0.376	5	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.1465	0.842	2	108.6272	0.376	5	108.6272	0.376	5	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	109.0700	0.000	1	108.6272	0.376	5	108.6272	0.376	5	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	108.8960	0.000	1	108.6272	0.376	5	108.6272	0.376	5	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6093	0.293	4	107.6093	0.086	4	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.1720	0.000	1	108.1720	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9150	0.021	2	107.9150	0.000	2	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.2370	0.000	1	106.2370	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2340	0.000	1	107.2340	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0610	0.000	1	108.0610	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.8720	0.000	1	108.8720	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.0840	1.095	4	106.0840	1.198	4	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.7570	0.000	1	106.7570	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.6285	0.494	2	110.6285	0.244	2	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.1890	0.000	1	109.4950	5.739	2	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.8010	0.000	1	109.4950	5.739	2	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.4430	0.000	1	108.4430	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.3450	0.000	1	106.3450	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.2642	0.950	5	109.4175	0.862	6	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.1840	0.000	1	109.4175	0.862	6	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.2270	0.000	1	108.2270	0.000	1	108.1277	2.441	29	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(S[5]N[5,5]OO)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(S[5]N[5,5]OO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2{1|C<3>,1|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	104.0170	0.000	1	104.0170	0.000	1	104.0170	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6760	0.000	1	107.6760	0.000	1	107.7197	0.591	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6085	0.162	2	107.6085	0.026	2	107.7197	0.591	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.6700	0.000	1	106.6700	0.000	1	107.7197	0.591	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0620	0.000	1	109.0620	0.000	1	107.7197	0.591	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6930	0.000	1	107.6930	0.000	1	107.7197	0.591	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	105.8420	0.000	1	106.2105	0.272	2	106.2105	0.272	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]C[5])	106.5790	0.000	1	106.2105	0.272	2	106.2105	0.272	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	107.5730	0.000	1	107.5410	0.002	2	107.5410	0.002	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,8|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]C[5])	107.5090	0.000	1	107.5410	0.002	2	107.5410	0.002	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	107.6960	0.000	1	107.6960	0.000	1	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,1|O<1>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.8920	0.000	1	106.8920	0.000	1	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	104.7750	0.000	1	104.3910	0.295	2	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	104.0070	0.000	1	104.3910	0.295	2	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.2140	0.000	1	105.2140	0.000	1	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|O<2>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.6510	0.000	1	105.6510	0.000	1	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	105.3250	0.000	1	106.0087	0.210	4	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.2040	0.000	2	106.0087	0.210	4	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[5])	106.3020	0.000	1	106.0087	0.210	4	105.8270	1.135	10	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2{3|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.5650	0.109	4	106.5650	0.012	4	106.5650	0.012	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.1490	0.000	1	106.1490	0.000	1	108.6435	2.918	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2{1|Br<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.0470	0.000	1	109.0470	0.000	1	108.6435	2.918	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.9910	0.000	1	109.9910	0.000	1	108.6435	2.918	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.3870	0.000	1	109.3870	0.000	1	108.6435	2.918	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.2040	0.000	2	106.2040	0.000	2	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2885	0.571	2	108.2885	0.326	2	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9520	0.000	1	107.9520	0.000	1	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8630	0.328	2	109.8630	0.108	2	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.7990	0.000	1	110.0522	12.492	5	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.5815	2.382	2	110.0522	12.492	5	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	113.6495	1.061	2	110.0522	12.492	5	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7550	0.000	1	109.7550	0.000	1	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0830	0.000	1	110.0830	0.000	1	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5740	0.000	1	108.5740	0.000	1	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3290	0.000	1	107.3290	0.000	1	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.7470	0.000	1	108.7470	0.000	1	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.2897	1.356	3	107.2897	1.838	3	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7770	0.000	1	109.7770	0.000	1	108.7170	4.566	21	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.3750	0.000	1	110.6138	0.070	6	110.6888	0.075	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.5772	0.215	4	110.6138	0.070	6	110.6888	0.075	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.9990	0.000	1	110.6138	0.070	6	110.6888	0.075	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.7788	0.285	5	110.7788	0.081	5	110.6888	0.075	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	106.9700	0.000	1	106.3150	0.858	2	106.3150	0.858	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	105.6600	0.000	1	106.3150	0.858	2	106.3150	0.858	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.1220	0.000	1	110.1220	0.000	1	108.0967	4.328	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.1545	0.409	2	106.1545	0.168	2	108.0967	4.328	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.9480	0.000	1	110.9480	0.000	1	108.0967	4.328	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.8240	0.000	1	106.8240	0.000	1	108.0967	4.328	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.3770	0.000	1	108.3770	0.000	1	108.0967	4.328	6	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	107.2100	0.000	1	107.2100	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H){3|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	108.6690	0.699	2	108.6690	0.488	2	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.2880	0.000	1	108.2880	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	106.9845	0.818	2	106.9845	0.669	2	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	109.8375	1.078	2	109.8375	1.163	2	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	114.2380	0.000	1	108.3487	16.087	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	106.2200	0.000	1	108.3487	16.087	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	106.4685	1.405	2	108.3487	16.087	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	107.1920	0.000	1	107.1920	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	111.0970	0.000	1	109.5235	2.289	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	110.5410	0.000	1	109.5235	2.289	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.2280	0.000	2	109.5235	2.289	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]2C[5])	104.6210	0.000	1	104.6210	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|S<3>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	104.1768	1.207	5	104.1768	1.458	5	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	110.6410	0.000	1	110.6410	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	107.6460	0.000	1	107.6460	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]2C[5])	108.2330	0.000	1	108.2330	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|S<2>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.0950	0.000	1	108.0950	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6]2C[5])	109.2763	0.266	3	109.2763	0.071	3	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2C[5])	110.7830	0.000	1	110.7830	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	110.4730	0.000	2	110.4730	0.000	2	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2C[5])	108.6150	0.298	6	108.6150	0.089	6	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.0430	0.000	1	107.6148	1.895	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2C[5])	108.8030	0.000	1	107.6148	1.895	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	107.3065	1.938	2	107.6148	1.895	4	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[5])	106.7780	0.000	1	106.7780	0.000	1	108.0401	4.912	44	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<5>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>,2|O<3>}	H(C[5,6]C[5,6]2C[5])	110.3980	0.000	2	110.3980	0.000	2	110.3980	0.000	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5775	0.059	2	106.5775	0.003	2	106.7657	0.108	3	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1420	0.000	1	107.1420	0.000	1	106.7657	0.108	3	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0980	0.000	1	110.9970	0.010	3	110.9970	0.010	3	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9465	0.074	2	110.9970	0.010	3	110.9970	0.010	3	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8595	0.086	2	107.8595	0.007	2	107.9320	0.019	3	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0770	0.000	1	108.0770	0.000	1	107.9320	0.019	3	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8640	0.076	2	109.5126	0.575	5	109.3544	1.856	8	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6220	0.000	1	109.5126	0.575	5	109.3544	1.856	8	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1830	0.000	1	109.5126	0.575	5	109.3544	1.856	8	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0300	0.000	1	109.5126	0.575	5	109.3544	1.856	8	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4710	0.000	1	109.4710	0.000	1	109.3544	1.856	8	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1520	0.000	1	111.1520	0.000	1	109.3544	1.856	8	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6490	0.000	1	106.6490	0.000	1	109.3544	1.856	8	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	111.4960	0.000	1	111.4960	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1080	0.000	1	111.1080	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.3890	0.000	1	112.3890	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1780	0.000	1	111.1780	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3870	0.000	1	108.3870	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7018	0.296	5	108.7018	0.088	5	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.7370	0.000	1	106.7370	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6740	0.000	1	107.6740	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5310	0.000	1	107.9030	2.188	3	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5890	1.246	2	107.9030	2.188	3	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4710	0.000	1	107.4710	0.000	1	108.9786	3.018	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5270	0.000	1	111.5160	0.000	2	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5050	0.000	1	111.5160	0.000	2	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9680	0.000	1	110.9680	0.000	1	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.7060	0.000	1	110.8191	0.025	8	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.8353	0.163	7	110.8191	0.025	8	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9210	0.000	1	110.9210	0.000	1	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7390	0.000	1	108.7390	0.000	1	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6290	0.000	1	109.6290	0.000	1	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0360	0.000	1	108.0360	0.000	1	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9002	0.051	4	107.9002	0.003	4	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1370	0.697	4	108.1370	0.485	4	109.6533	2.169	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.4950	0.000	1	107.4950	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9960	0.000	1	107.9960	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.6290	0.000	1	110.6290	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3715	0.211	2	111.3715	0.045	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0770	0.000	1	111.0770	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3490	0.000	1	108.3490	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.5760	0.000	1	104.5760	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7720	0.000	1	106.7720	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9330	0.000	1	110.9330	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.7110	0.000	1	110.7110	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.6580	0.000	1	110.6580	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<4>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9030	0.000	1	108.9030	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.9320	0.000	1	110.9320	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.8010	0.505	2	111.8010	0.255	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.3660	0.257	2	104.3660	0.066	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.5030	0.000	1	104.5030	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1820	0.000	1	107.1820	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6525	0.168	2	110.6525	0.028	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5320	0.000	1	111.5320	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	110.8060	0.000	1	110.8060	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2130	0.000	1	109.2130	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.7650	0.172	3	105.7650	0.030	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.2120	0.000	1	104.2120	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.9390	0.000	1	106.7591	2.646	7	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0810	0.000	1	106.7591	2.646	7	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0075	0.161	2	106.7591	2.646	7	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.6850	0.000	1	106.7591	2.646	7	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4040	0.000	1	106.7591	2.646	7	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.1900	0.000	1	106.7591	2.646	7	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.5820	0.000	1	107.8593	4.261	4	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6260	0.000	1	107.8593	4.261	4	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.6360	0.000	1	107.8593	4.261	4	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.5930	0.000	1	107.8593	4.261	4	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.4505	0.101	2	105.4505	0.010	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.4880	0.000	1	107.4880	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9675	0.339	2	106.9675	0.115	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0170	0.000	1	108.7010	2.496	8	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3060	0.134	2	108.7010	2.496	8	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2850	0.000	1	108.7010	2.496	8	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3000	0.000	1	108.7010	2.496	8	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8180	0.000	1	108.7010	2.496	8	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2880	0.011	2	108.7010	2.496	8	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.7640	0.057	2	107.7640	0.003	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3450	0.000	1	110.3450	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.5730	0.000	1	107.0493	1.777	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.0980	0.000	1	107.0493	1.777	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4770	0.000	1	107.0493	1.777	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1340	0.000	1	108.2532	0.310	5	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6810	0.000	1	108.2532	0.310	5	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1840	0.000	1	108.2532	0.310	5	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1335	0.062	2	108.2532	0.310	5	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5990	0.000	1	108.5990	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1710	0.014	2	107.1710	0.000	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.1000	0.000	1	110.1000	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1760	0.000	1	108.1760	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9550	0.000	1	111.1483	3.710	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2450	0.451	2	111.1483	3.710	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7590	0.000	1	110.3080	0.407	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8570	0.000	1	110.3080	0.407	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0660	0.000	1	107.0660	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3490	0.000	1	108.3490	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0210	0.000	1	110.0210	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3960	0.000	1	108.3960	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3210	0.000	1	107.6643	2.741	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0100	0.000	1	107.6643	2.741	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6620	0.000	1	107.6643	2.741	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3990	0.000	1	107.3990	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.3265	0.101	2	108.3265	0.010	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	114.1160	0.000	1	114.1160	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5160	0.000	1	107.5160	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.9475	0.128	2	108.9922	0.232	9	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.4740	0.000	1	108.9922	0.232	9	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.9268	0.561	6	108.9922	0.232	9	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	109.5400	0.000	1	109.5400	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7595	0.357	2	106.7595	0.128	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.7425	1.504	4	104.7425	2.262	4	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.3730	0.091	2	106.3730	0.008	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1245	0.400	2	108.1245	0.160	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6220	0.044	2	108.6220	0.002	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.6770	0.000	1	106.6770	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.2960	0.000	1	107.2195	7.400	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1430	0.000	1	107.2195	7.400	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6810	0.000	1	107.8255	0.042	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9700	0.000	1	107.8255	0.042	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1400	0.028	2	111.1400	0.001	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5010	0.000	1	110.5010	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>,2|F<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8600	0.000	1	110.8600	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8230	0.000	1	108.8230	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7820	0.000	1	110.7885	0.000	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7950	0.000	1	110.7885	0.000	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1400	0.000	1	107.1400	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1630	0.000	1	105.1630	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4360	0.000	1	107.7433	0.078	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.8970	0.117	2	107.7433	0.078	3	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8994	0.133	7	108.1920	0.541	10	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6225	1.545	2	108.1920	0.541	10	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3790	0.000	1	108.1920	0.541	10	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6470	0.000	1	109.5568	7.018	6	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0460	0.000	1	109.5568	7.018	6	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.8420	0.000	1	109.5568	7.018	6	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.8400	0.000	1	109.5568	7.018	6	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|W<7>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9640	0.000	1	109.5568	7.018	6	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0020	0.000	1	109.5568	7.018	6	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3870	0.000	1	106.3870	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6615	0.182	2	107.6615	0.033	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	107.3080	0.000	1	107.3080	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7130	0.000	1	108.7130	0.000	1	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8775	0.018	2	110.8775	0.000	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3815	3.186	2	110.3815	10.148	2	108.3464	4.249	150	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6250	1.962	2	109.6250	3.848	2	109.6250	3.848	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7123	0.281	7	105.6098	0.075	11	105.6098	0.075	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2470	0.000	1	105.6098	0.075	11	105.6098	0.075	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4917	0.119	3	105.6098	0.075	11	105.6098	0.075	11	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4057	0.233	4	107.4057	0.054	4	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0040	0.000	1	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8977	0.375	10	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1540	0.000	1	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6527	0.335	4	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8990	0.000	1	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1020	0.000	1	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1043	0.312	3	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8807	0.328	21	106.0132	0.174	42	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4800	0.000	1	106.4800	0.000	1	106.1416	0.315	47	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8410	0.000	1	106.1270	0.084	3	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4200	0.000	1	106.1270	0.084	3	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1200	0.000	1	106.1270	0.084	3	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2100	0.000	1	105.9429	0.059	7	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8983	0.232	6	105.9429	0.059	7	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8740	0.000	1	106.9860	0.011	3	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0420	0.058	2	106.9860	0.011	3	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6510	1.347	3	107.6510	1.815	3	106.4933	0.763	16	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4430	0.000	1	109.4430	0.000	1	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5545	1.027	2	106.5545	1.056	2	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	102.5600	5.187	2	106.1913	3.453	20	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5405	0.196	2	106.1913	3.453	20	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5362	0.513	10	106.1913	3.453	20	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,1|S<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2498	0.718	4	106.1913	3.453	20	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4520	0.000	1	106.1913	3.453	20	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.8110	0.000	1	106.1913	3.453	20	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3130	0.000	1	105.3130	0.000	1	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4940	0.000	1	106.4940	0.000	1	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7690	0.000	1	107.7690	0.000	1	106.3828	3.196	26	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5160	0.129	2	107.5160	0.017	2	107.5160	0.017	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6350	0.000	1	107.6350	0.000	1	107.6350	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8170	0.000	1	109.8170	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9195	0.807	2	110.9195	0.651	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.4965	0.008	2	110.4965	0.000	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0760	0.000	1	111.0760	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.2890	0.000	1	111.2890	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6030	0.000	1	111.6030	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6010	0.000	1	110.6010	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.5500	0.000	1	110.5500	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4740	0.000	1	106.4740	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4040	0.000	1	106.5185	0.384	8	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5349	0.668	7	106.5185	0.384	8	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1255	0.306	2	107.1255	0.094	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9935	0.204	2	106.9935	0.042	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3210	0.318	2	110.3210	0.101	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8440	0.000	2	109.8440	0.000	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.6990	0.000	1	106.6185	0.013	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5380	0.000	1	106.6185	0.013	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3850	0.000	1	108.3850	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9670	0.288	8	108.9670	0.083	8	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7495	0.503	2	109.7495	0.253	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4170	0.000	1	108.4170	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0040	0.000	1	110.0040	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4770	0.000	1	108.4770	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4050	0.000	1	108.4050	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7335	0.217	2	106.7335	0.047	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7730	0.000	1	106.7730	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5530	0.000	1	108.4330	0.029	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3130	0.000	1	108.4330	0.029	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8980	0.000	1	108.8980	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.9880	0.000	1	109.9880	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2000	0.000	1	110.2000	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.5420	0.000	1	106.5420	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8910	0.000	1	107.8910	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7440	0.000	1	108.7440	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9650	0.000	1	108.9650	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5220	0.000	1	108.5220	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2745	1.035	15	109.2745	1.071	15	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.0970	0.178	2	111.0970	0.032	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.2940	0.000	1	109.2940	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1520	0.000	1	109.1520	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5050	0.454	2	108.5050	0.206	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0180	0.000	1	110.0180	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5830	2.466	2	109.5830	6.083	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2070	0.000	1	108.2070	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9310	0.038	2	106.9310	0.001	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	107.8375	0.087	2	107.8375	0.008	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5695	0.001	2	108.5695	0.000	2	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5350	0.000	1	108.5350	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8520	0.000	1	107.8520	0.000	1	108.7466	2.205	90	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2{1|O<1>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2{1|O<1>,2|H<1>,3|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4025	0.002	2	107.4025	0.000	2	106.4462	1.405	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.9620	0.000	1	104.9620	0.000	1	106.4462	1.405	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0180	0.000	1	106.0180	0.000	1	106.4462	1.405	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0850	0.237	4	107.0850	0.056	4	107.0850	0.056	4	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3270	0.000	1	107.3270	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.2800	0.341	2	105.2800	0.116	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8470	0.000	1	105.9900	1.469	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1330	0.000	1	105.9900	1.469	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5120	0.000	1	106.5455	0.002	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5790	0.000	1	106.5455	0.002	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0690	0.120	2	106.0690	0.014	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2690	0.000	1	106.2690	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0450	0.000	1	107.0450	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.4430	0.049	2	107.4430	0.002	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.2300	0.000	1	110.2300	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1150	0.000	1	108.1150	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.5325	0.594	4	105.1264	2.028	5	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.5020	0.000	1	105.1264	2.028	5	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.0345	0.400	2	105.0345	0.160	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2{6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2740	0.000	1	107.2740	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2{5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4420	0.000	1	105.4420	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6750	0.000	1	107.6750	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5917	0.281	3	106.6490	0.066	4	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8210	0.000	1	106.6490	0.066	4	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3000	0.000	1	106.3000	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8100	0.000	1	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5182	0.345	4	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.5110	0.000	1	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5675	0.204	2	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3736	0.379	7	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0807	0.419	6	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.2210	0.000	1	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0630	0.000	1	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6110	0.404	2	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4930	0.000	1	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3060	0.000	1	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.0300	0.665	2	106.6549	0.465	29	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3395	0.016	2	106.3395	0.000	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6610	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4553	0.641	3	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9980	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4153	0.732	35	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5130	0.024	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.1500	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9140	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7340	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0691	0.924	18	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8270	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|I<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4595	0.679	4	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3500	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1322	0.250	4	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2048	0.315	6	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9835	0.470	31	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3330	0.317	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6200	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4680	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2705	0.145	4	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5771	0.818	32	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7120	0.124	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4827	0.266	7	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.8550	3.914	3	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9320	0.312	4	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8252	1.595	5	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1000	0.000	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.6960	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2725	0.544	18	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0483	0.725	74	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0670	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2212	0.754	4	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7370	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3520	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9793	0.727	3	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1660	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7760	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3473	1.153	4	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9720	0.000	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2343	0.999	55	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1402	0.814	6	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6410	0.109	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.9472	0.601	4	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9478	1.287	25	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3093	0.802	43	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2850	0.513	27	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9115	0.144	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0720	0.771	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1755	3.586	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0620	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3148	1.070	13	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|N<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.8450	0.000	2	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.0700	0.000	1	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3150	1.254	93	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.2441	0.726	73	106.2754	0.893	635	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0230	0.000	1	105.6331	0.892	8	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.0220	0.447	3	105.6331	0.892	8	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.4250	0.000	1	105.6331	0.892	8	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.5550	0.000	1	105.6331	0.892	8	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.9980	0.304	2	105.6331	0.892	8	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.9705	0.158	2	107.9705	0.025	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6970	0.000	1	107.6970	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.2350	0.000	1	108.2350	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.1415	0.090	2	108.1415	0.008	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.0585	0.131	2	103.0585	0.017	2	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	108.7910	0.000	1	108.7910	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.2370	0.000	1	111.2370	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	111.2120	0.000	1	111.2120	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.8630	0.000	1	112.8630	0.000	1	106.3193	1.090	716	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.2310	0.000	1	108.1345	0.019	2	108.5849	0.529	9	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0380	0.000	1	108.1345	0.019	2	108.5849	0.529	9	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7875	0.422	2	109.3950	0.551	3	108.5849	0.529	9	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6100	0.000	1	109.3950	0.551	3	108.5849	0.529	9	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3725	0.161	2	108.3725	0.026	2	108.5849	0.529	9	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0325	0.084	2	108.0325	0.007	2	108.5849	0.529	9	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5]C[6])	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]N[5,5,6]C[5]C[6])	111.9637	0.554	23	111.9637	0.307	23	111.9637	0.307	23	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1640	0.151	2	110.1640	0.023	2	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1560	0.000	1	111.3239	0.511	8	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.1250	1.078	2	111.3239	0.511	8	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.4370	0.750	5	111.3239	0.511	8	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.9940	0.000	1	111.4582	1.617	12	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.9610	0.000	1	111.4582	1.617	12	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7575	0.070	2	111.4582	1.617	12	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.5020	0.133	2	111.4582	1.617	12	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0228	0.369	4	111.4582	1.617	12	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	113.4665	2.662	2	111.4582	1.617	12	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.8313	0.610	3	110.8313	0.372	3	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4650	0.000	1	110.4650	0.000	1	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2260	0.000	1	111.2260	0.000	1	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.2930	0.000	1	111.2930	0.000	1	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.8580	0.000	1	107.8580	0.000	1	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3080	0.000	1	108.3080	0.000	1	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.9980	0.000	1	107.9980	0.000	1	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1440	0.000	1	109.0613	0.607	3	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.2440	0.000	1	109.0613	0.607	3	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.7960	0.000	1	109.0613	0.607	3	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.4180	0.000	1	108.4180	0.000	1	110.6760	2.030	35	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	113.6315	0.166	2	113.6315	0.028	2	113.6315	0.028	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5,6]P[5,6]C[5]C[6])	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<1>,2|C<4>,4|H<1>}	H(C[5,6]P[5,6]C[5]C[6])	110.1045	1.480	2	110.1045	2.190	2	110.1045	2.190	2	107.2800	3.698	1405	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	H(C[5,6]C[5,5,6]C[6,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	H(C[5,6]C[5,5,6]C[6,6]C[5])	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.6780	0.103	2	109.6780	0.011	2	108.4453	2.058	4	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.0080	0.000	1	107.0080	0.000	1	108.4453	2.058	4	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.4170	0.000	1	107.4170	0.000	1	108.4453	2.058	4	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.9087	0.142	3	110.7265	0.071	6	110.7265	0.071	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.8200	0.000	1	110.7265	0.071	6	110.7265	0.071	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	110.4065	0.030	2	110.7265	0.071	6	110.7265	0.071	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5730	0.000	1	106.5730	0.000	1	106.5730	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,7|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1850	0.000	1	106.1850	0.000	1	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.0220	0.543	2	105.0220	0.295	2	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7188	0.380	4	106.7188	0.144	4	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.2330	0.000	1	106.2330	0.000	1	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0385	0.790	4	105.8584	0.770	7	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8120	0.000	1	105.8584	0.770	7	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.6300	0.000	1	105.8584	0.770	7	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.4130	0.000	1	105.8584	0.770	7	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1750	0.000	1	105.1750	0.000	1	105.9701	0.681	16	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.5980	0.000	1	103.4335	2.712	2	106.5897	7.803	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	102.2690	0.000	1	103.4335	2.712	2	106.5897	7.803	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9410	0.000	1	107.9410	0.000	1	106.5897	7.803	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5220	0.000	1	109.5220	0.000	1	106.5897	7.803	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0000	0.000	1	109.0000	0.000	1	106.5897	7.803	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.2080	0.000	1	106.2080	0.000	1	106.5897	7.803	6	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2700	0.000	1	110.2700	0.000	1	109.7545	0.531	2	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2390	0.000	1	109.2390	0.000	1	109.7545	0.531	2	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	114.5490	0.000	1	114.5490	0.000	1	114.5490	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8320	0.000	1	105.8320	0.000	1	105.8320	0.000	1	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3910	0.000	1	106.0375	0.836	2	109.3794	10.147	5	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.6840	0.000	1	106.0375	0.836	2	109.3794	10.147	5	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	112.9040	0.000	1	111.6073	1.263	3	109.3794	10.147	5	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.9590	0.062	2	111.6073	1.263	3	109.3794	10.147	5	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7890	0.000	1	110.7890	0.000	1	109.5569	2.441	8	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.8010	0.031	2	110.8010	0.001	2	109.5569	2.441	8	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.3490	0.000	1	111.3490	0.000	1	109.5569	2.441	8	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.0980	0.000	1	107.9505	1.454	2	109.5569	2.441	8	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8030	0.000	1	107.9505	1.454	2	109.5569	2.441	8	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.4070	0.000	2	108.4070	0.000	2	109.5569	2.441	8	108.0728	5.990	58	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H)	H(C[5,6]C[5,3x6]C[5,6]C[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H){2|H<1>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,6]C[5])	104.8980	0.000	1	104.8980	0.000	1	104.8980	0.000	1	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	107.5140	0.083	2	107.5140	0.007	2	107.5140	0.007	2	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9590	0.000	1	108.0604	0.101	5	108.0604	0.101	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.5100	0.000	1	108.0604	0.101	5	108.0604	0.101	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8280	0.000	1	108.0604	0.101	5	108.0604	0.101	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.0025	0.363	2	108.0604	0.101	5	108.0604	0.101	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9640	0.000	1	106.9640	0.000	1	109.0676	2.366	7	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1940	0.000	1	108.1940	0.000	1	109.0676	2.366	7	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0350	0.000	1	109.0350	0.000	1	109.0676	2.366	7	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0300	0.000	1	112.0300	0.000	1	109.0676	2.366	7	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3650	0.000	1	109.0833	0.115	3	109.0676	2.366	7	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9425	0.334	2	109.0833	0.115	3	109.0676	2.366	7	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4190	0.000	1	109.4190	0.000	1	108.9040	0.530	2	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3890	0.000	1	108.3890	0.000	1	108.9040	0.530	2	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5840	0.000	1	108.5840	0.000	1	108.8387	0.209	3	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3670	0.000	1	109.3670	0.000	1	108.8387	0.209	3	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5650	0.000	1	108.5650	0.000	1	108.8387	0.209	3	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5720	0.433	2	110.5720	0.187	2	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3100	0.000	1	107.4750	0.054	2	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6400	0.000	1	107.4750	0.054	2	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H){1|Si<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0310	0.000	1	108.0310	0.000	1	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8580	0.000	1	106.8580	0.000	1	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1585	0.306	2	105.1585	0.094	2	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1820	0.000	1	107.1820	0.000	1	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6168	0.138	5	109.6168	0.019	5	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.2050	0.000	1	110.2050	0.000	1	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5705	0.077	2	106.5705	0.006	2	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8040	0.000	1	109.8040	0.000	1	108.3176	3.281	18	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4120	0.000	1	109.4120	0.000	1	108.0455	3.735	2	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.6790	0.000	1	106.6790	0.000	1	108.0455	3.735	2	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	104.7750	0.000	1	104.7750	0.000	1	108.0736	4.390	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6330	0.000	1	108.6330	0.000	1	108.0736	4.390	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9290	0.000	1	107.9290	0.000	1	108.0736	4.390	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5610	0.000	1	110.5610	0.000	1	108.0736	4.390	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4700	0.000	1	108.4700	0.000	1	108.0736	4.390	5	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.4803	0.528	3	106.5709	0.292	13	106.5122	0.318	14	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5981	0.569	10	106.5709	0.292	13	106.5122	0.318	14	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.7490	0.000	1	105.7490	0.000	1	106.5122	0.318	14	107.9535	2.532	63	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH){1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	103.0030	0.000	1	103.0030	0.000	1	105.0433	2.012	4	105.0433	2.012	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	105.7233	0.493	3	105.7233	0.243	3	105.0433	2.012	4	105.0433	2.012	4	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	108.3107	5.400	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.3360	0.293	2	110.3360	0.086	2	110.3360	0.086	2	108.3107	5.400	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6015	0.060	2	105.6015	0.004	2	105.6015	0.004	2	108.3107	5.400	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.3107	5.400	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	108.3107	5.400	7	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H){1|C<4>,4|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	106.6580	0.000	1	108.4830	5.219	4	108.4830	5.219	4	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	109.0913	2.368	3	108.4830	5.219	4	108.4830	5.219	4	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.4573	0.392	4	107.4573	0.153	4	107.4573	0.153	4	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.4710	0.000	1	110.4710	0.000	1	108.6472	2.328	6	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.7090	0.000	1	110.7090	0.000	1	108.6472	2.328	6	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9260	0.017	2	107.6757	0.095	4	108.6472	2.328	6	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.4255	0.189	2	107.6757	0.095	4	108.6472	2.328	6	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2C[5])	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<1>,3|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]2C[5])	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H){1|N<4>,1|O<1>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4850	0.000	1	111.4850	0.000	1	111.4850	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4410	0.000	1	111.4410	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4430	0.000	1	111.4430	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.3015	0.556	2	105.3015	0.310	2	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4045	0.101	2	107.4045	0.010	2	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5010	0.000	1	105.5010	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8050	0.000	1	107.8050	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2680	0.000	1	107.2680	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0030	0.000	1	108.0030	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	103.5810	0.000	1	103.5810	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.6880	0.000	1	105.6880	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2583	0.494	6	107.2583	0.244	6	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2810	0.000	1	108.2810	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4290	0.000	1	107.4700	0.003	2	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5110	0.000	1	107.4700	0.003	2	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.9625	0.262	2	107.9625	0.069	2	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4140	0.000	1	109.4140	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Pt<4>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7870	0.000	1	107.7870	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8330	0.000	1	109.8330	0.000	1	107.5335	3.039	26	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8167	0.150	6	106.8167	0.022	6	106.8218	0.102	25	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7065	0.039	2	106.5090	0.102	5	106.8218	0.102	25	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3773	0.373	3	106.5090	0.102	5	106.8218	0.102	25	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9357	0.310	14	106.9357	0.096	14	106.8218	0.102	25	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9790	0.000	1	106.9790	0.000	1	106.9790	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.8470	0.000	1	106.8470	0.000	1	107.3559	2.373	16	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.0140	0.000	1	105.0140	0.000	1	107.3559	2.373	16	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.3263	0.854	3	106.3263	0.729	3	107.3559	2.373	16	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.1270	0.000	1	106.1270	0.000	1	107.3559	2.373	16	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2730	0.000	1	108.2730	0.000	1	107.3559	2.373	16	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5440	0.083	8	107.5440	0.007	8	107.3559	2.373	16	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.1020	0.000	1	112.1020	0.000	1	107.3559	2.373	16	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5640	0.000	1	106.5640	0.000	1	106.4755	0.016	2	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3870	0.000	1	106.3870	0.000	1	106.4755	0.016	2	107.6573	2.560	95	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH){2|C<4>,2|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6]C[5])	106.1770	0.000	2	106.1770	0.000	2	106.1770	0.000	2	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1490	0.000	1	108.1490	0.000	1	108.3170	0.056	2	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4850	0.000	1	108.4850	0.000	1	108.3170	0.056	2	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.5770	0.000	1	110.5770	0.000	1	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8630	0.000	1	110.8630	0.000	1	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9970	0.102	2	110.9970	0.010	2	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2180	0.000	1	110.2180	0.000	1	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6430	0.441	3	110.6430	0.195	3	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8165	0.207	2	110.8165	0.043	2	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.7700	0.000	1	110.7700	0.000	1	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9520	0.000	1	110.9501	0.038	7	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9498	0.213	6	110.9501	0.038	7	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9917	0.238	3	110.9917	0.056	3	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.6450	0.000	1	110.6450	0.000	1	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.8649	0.219	8	105.8649	0.048	8	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0560	0.000	1	108.0560	0.000	1	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4940	0.000	1	107.4940	0.000	1	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4065	0.343	2	110.4065	0.118	2	109.4570	4.678	34	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.1349	4.577	41	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[3,6]C[3,6]O[3]H)(C[5]C[5]CC)(H)	C[5](C[5,6]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)2	H(C[5,6]C[3,5,6]C[3,6]C[5])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[3,6]C[3,6]O[3]H)(C[5]C[5]CC)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[3,5,6]C[3,6]C[5])	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H){1|O<2>,5|C<4>,7|H<1>}	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3){3|H<1>,4|C<4>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.6865	0.057	2	106.6865	0.003	2	106.6865	0.003	2	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2H)(CH3)2	H(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[5])	110.2460	0.000	1	110.2460	0.000	1	110.2460	0.000	1	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	121.3440	0.000	1	114.3230	37.134	3	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.4090	0.000	1	114.3230	37.134	3	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.2160	0.000	1	114.3230	37.134	3	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.0420	0.000	1	110.0420	0.000	1	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|P<4>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.9650	0.082	2	109.9650	0.007	2	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1850	0.000	1	108.1850	0.000	1	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9500	0.000	1	107.9500	0.000	1	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.8520	0.000	1	105.8520	0.000	1	110.5476	19.043	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2N[5])(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2N[5])(CH3)2{1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.7160	0.000	1	104.7160	0.000	1	104.7160	0.000	1	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3570	0.000	1	110.3570	0.000	1	107.2961	3.030	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5045	0.230	2	106.5045	0.053	2	107.2961	3.030	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1790	0.000	2	107.1790	0.000	2	107.2961	3.030	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.5170	0.000	1	104.5170	0.000	1	107.2961	3.030	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3920	1.727	2	108.3920	2.982	2	107.2961	3.030	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6400	0.000	1	106.6400	0.000	1	107.2961	3.030	9	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	103.0280	0.041	2	103.0280	0.002	2	103.0280	0.002	2	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5,6]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	107.9766	11.539	29	108.4798	6.110	4099	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6,6]	H	4:2:1:1:	4:4:2:4:	4:	C[3x5,6,6]-4:O[5]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]O[5,5])(O[5]C[5])(H)2	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH)	H(C[5]C[3x5,6,6]O[5]H)	C[5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]O[5,5])(O[5]C[5])(H)2{1|O<1>,2|C<3>,4|C<4>}	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH){2|H<1>,3|O<1>,4|C<4>}	H(C[5]C[3x5,6,6]O[5]H)	110.9055	0.035	2	110.9055	0.001	2	110.9055	0.001	2	110.9055	0.001	2	110.9055	0.001	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[3x5,6]O[5]H)	110.5600	0.008	2	110.5600	0.000	2	110.5600	0.000	2	110.2049	0.679	8	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(O[5]C[5])(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){1|O<1>,4|H<1>}	H(C[5]C[3x5,6]O[5]H)	111.0305	0.028	2	111.0305	0.001	2	111.0305	0.001	2	110.2049	0.679	8	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[3x5,6]-4:S[5]-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.2295	0.009	2	110.2295	0.000	2	109.6145	0.580	4	110.2049	0.679	8	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[3x5,6]-4:S[5]-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	H(C[5]C[3x5,6]S[5]H)	108.9995	0.477	2	108.9995	0.228	2	109.6145	0.580	4	110.2049	0.679	8	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5]O[5]HH)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5]O[5]HH){6|H<1>}	H(C[5]C[3x5,6]O[5]H)	110.5765	0.013	2	110.5765	0.000	2	110.5765	0.000	2	110.6923	0.040	3	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2	C[3x5,6](C[3x5,6]C[3x5,6,6]C[5,5]C)(C[5,5,6]C[5,6]C[5]N[6])(O[5,6]C[5,5,6])(C[5]O[5]HH)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2{1|N<3>,2|H<1>,5|C<4>}	C[3x5,6](C[3x5,6]C[3x5,6,6]C[5,5]C)(C[5,5,6]C[5,6]C[5]N[6])(O[5,6]C[5,5,6])(C[5]O[5]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[3x5,6]O[5]H)	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.6923	0.040	3	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[3x5,6]C[5,5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[3x5,6]C[5,5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[3x5,6]O[5]H)	110.5720	0.045	2	110.5720	0.002	2	110.5720	0.002	2	110.3844	0.030	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]C[5,6]2C)(C[5]O[5]HH)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]C[5,6]2C)(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]O[5]H)	110.2545	0.018	2	110.2545	0.000	2	110.2545	0.000	2	110.3844	0.030	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,5])(O[5]C[5])(H)2	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[3x5,6]O[5]H)	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	110.3844	0.030	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:4:1:	4:2:3:4:	4:	C[3x5,6]-4:S[5]-2:C-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH)	H(C[5]C[3x5,6]S[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH){6|H<1>}	H(C[5]C[3x5,6]S[5]C)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:2:4:1:	4:4:2:4:	4:	C[3x5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H)	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH)	H(C[5]C[3x5,6]O[5]C)	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H){1|O<1>,2|O<2>,4|C<4>}	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH){1|O<1>,1|O<2>,7|C<4>}	H(C[5]C[3x5,6]O[5]C)	108.2297	0.148	4	108.2297	0.022	4	108.2297	0.022	4	108.2297	0.022	4	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	110.9765	0.045	2	110.9765	0.002	2	110.9765	0.002	2	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.3016	0.123	16	111.3016	0.015	16	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.0825	0.119	4	111.0825	0.014	4	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.2455	0.029	2	111.2455	0.001	2	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[3x5,6]N[5]H)	110.9582	0.211	4	111.0098	0.033	6	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.1130	0.007	2	111.0098	0.033	6	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.0713	0.023	3	111.0878	0.001	5	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.1125	0.008	2	111.0878	0.001	5	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.0950	0.070	4	111.0950	0.005	4	111.1763	0.027	37	111.1634	0.027	40	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|C<3>,6|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.1595	2.259	2	111.1595	5.104	2	111.1595	5.104	2	111.2211	0.854	7	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|Br<1>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.2515	0.046	4	111.2515	0.002	4	111.2458	0.002	5	111.2211	0.854	7	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	111.2230	0.000	1	111.2230	0.000	1	111.2458	0.002	5	111.2211	0.854	7	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5]-3:H-1:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.8345	0.029	2	110.8345	0.001	2	110.8345	0.001	2	110.8345	0.001	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x5,6]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]O[5]O)(H)2	C[3x5,6](C[3x5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]O[5,6]O)(C[5]C[5]HH)(C[5]C[5]C)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]O[5,6]O)(C[5]C[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[3x5,6]C[5]H)	115.4040	1.025	2	115.4040	1.051	2	115.4040	1.051	2	115.4040	1.051	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]C[6a]O[5])(H)2	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]C[6a]O[5])(H)2{2|C<3>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<3>,5|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.2900	0.345	2	110.2900	0.119	2	110.2900	0.119	2	110.2900	0.119	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:3:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[3x5,6]N[5]C)	110.0430	2.128	2	110.0430	4.530	2	110.0475	1.553	4	110.0475	1.553	4	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:3:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[6a]C[5])(CNO)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[6a]C[5])(CNO)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[3x5,6]N[5]C)	110.0520	0.359	2	110.0520	0.129	2	110.0475	1.553	4	110.0475	1.553	4	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5]C[3x5,6]C[5a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[3x5,6]C[5a]N[5])	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	109.1795	0.147	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:3:1:	4:4:2:3:	4:	C[3x5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	H(C[5]C[3x5,6]C[6a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,5|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[3x5,6]C[6a]N[5])	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	109.1795	0.147	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:3:1:	4:4:2:4:	4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H){1|O<1>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[3x5,6]N[5]C)	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:4:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[3x5,6]N[5]C)	109.8385	0.728	2	109.8385	0.529	2	109.8385	0.529	2	109.9865	0.892	4	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:4:1:	4:2:3:4:	4:	C[3x5,6]-4:N[5]-3:P-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP)	H(C[5]C[3x5,6]N[5]P)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP){1|C<3>,6|H<1>}	H(C[5]C[3x5,6]N[5]P)	110.1345	1.435	2	110.1345	2.058	2	110.1345	2.058	2	109.9865	0.892	4	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:3:4:1:	4:4:2:4:	4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	H(C[5]C[3x5,6]N[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[3x5,6]N[5]C)	110.0167	0.798	3	110.0167	0.636	3	110.0167	0.636	3	110.0167	0.636	3	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.7793	0.303	3	110.7793	0.092	3	110.7793	0.092	3	110.7793	0.092	3	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.7625	0.033	2	110.7625	0.001	2	110.7625	0.001	2	111.0420	0.048	6	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,7|H<1>}	H(C[5]C[3x5,6]C[5]H)	111.2225	0.009	2	111.1817	0.002	4	111.1817	0.002	4	111.0420	0.048	6	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<4>,2|N<2>,4|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,6|H<1>}	H(C[5]C[3x5,6]C[5]H)	111.1410	0.014	2	111.1817	0.002	4	111.1817	0.002	4	111.0420	0.048	6	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.9668	0.192	4	110.9668	0.037	4	110.9668	0.037	4	110.6884	1.628	8	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{2|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|Br<1>,2|O<1>,4|H<1>}	H(C[5]C[3x5,6]S[5]H)	111.1965	0.026	2	110.4100	3.555	4	110.4100	3.555	4	110.6884	1.628	8	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{2|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|O<1>,5|H<1>}	H(C[5]C[3x5,6]S[5]H)	109.6235	2.862	2	110.4100	3.555	4	110.4100	3.555	4	110.6884	1.628	8	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.3710	0.096	2	110.3710	0.009	2	110.3710	0.009	2	110.3710	0.009	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5]C[5]CC)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	110.5036	0.002	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.4900	0.004	2	110.4900	0.000	2	110.4835	0.000	4	110.5036	0.002	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.4770	0.034	2	110.4770	0.001	2	110.4835	0.000	4	110.5036	0.002	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,5,6]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]C[5,6]H)	110.6485	0.262	2	110.6485	0.069	2	110.6485	0.069	2	110.6485	0.069	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](C[3x5,6]C[5,6]2C[5])(C[5,6]C[5,6,6]CC)(O[5,6]C[5,6,6])(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	C[3x5,6](C[3x5,6]C[5,6]2C[5])(C[5,6]C[5,6,6]CC)(O[5,6]C[5,6,6])(C[5]C[5]HH){2|C<4>,9|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.8380	0.028	2	110.8380	0.001	2	110.8380	0.001	2	110.8600	0.002	3	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6,6]O[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6,6]O[5,6])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH){13|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	110.8600	0.002	3	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH)	H(C[5]C[3x5,6]C[5,5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[3x5,6]C[5,5]H)	108.5780	2.932	2	108.5780	8.595	2	108.5780	8.595	2	110.5427	0.943	34	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[3x5,6]C[5,6]H)	111.2095	1.453	4	111.2095	2.112	4	111.2095	2.112	4	110.5427	0.943	34	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.6008	0.114	22	110.6008	0.013	22	110.6008	0.013	22	110.5427	0.943	34	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[3x5,6]C[5]H)	110.6935	0.005	2	110.6935	0.000	2	110.6935	0.000	2	110.5427	0.943	34	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2	C[3x5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5])(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<3>,8|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.9040	0.008	2	110.9040	0.000	2	110.9040	0.000	2	110.5427	0.943	34	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]H)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]H)(C[5]S[5]HH){1|C<3>,2|O<1>,5|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.0225	2.347	2	110.0225	5.508	2	110.0225	5.508	2	110.5427	0.943	34	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	C[3x5,6](C[3x5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{2|C<3>,5|C<4>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,7|H<1>}	H(C[5]C[3x5,6]C[5]H)	109.6830	1.001	2	109.6830	1.003	2	109.6830	1.003	2	109.6830	1.003	2	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2	C[3x5,6](C[3x5,6]C[5,5]C[5,6]O[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2O)(C[5]C[5,6]HH)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2{1|O<2>,2|C<3>,3|H<1>,8|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]O[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2O)(C[5]C[5,6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[3x5,6]C[5,6]H)	110.6525	0.021	2	110.6525	0.000	2	110.6525	0.000	2	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{3|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,6|H<1>}	H(C[5]C[3x5,6]C[5]H)	110.9895	0.200	2	110.9895	0.040	2	111.0186	0.029	9	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH){3|H<1>,4|C<4>}	H(C[5]C[3x5,6]C[5]H)	111.0269	0.176	7	111.0269	0.031	7	111.0186	0.029	9	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|C<4>,3|H<1>,3|O<1>}	H(C[5]C[3x5,6]S[5]H)	112.8140	0.750	2	112.9133	8.129	4	112.9133	8.129	4	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[3x5,6](C[3x5,6]C[5,6]N[5,5]O[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|O<2>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[3x5,6]S[5]H)	113.0125	4.877	2	112.9133	8.129	4	112.9133	8.129	4	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|C<4>,3|H<1>,3|O<1>}	H(C[5]C[3x5,6]S[5]H)	109.8390	1.263	2	109.7090	0.696	4	109.7090	0.696	4	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|O<2>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[3x5,6]S[5]H)	109.5790	0.653	2	109.7090	0.696	4	109.7090	0.696	4	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<3>,2|O<1>,5|H<1>}	H(C[5]C[3x5,6]S[5]H)	109.6226	2.020	129	109.6764	3.857	138	109.6844	3.838	139	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{1|S<2>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|S<2>,2|O<1>,2|O<2>,3|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.5468	0.098	4	109.6764	3.857	138	109.6844	3.838	139	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{1|S<2>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|S<2>,2|O<1>,5|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.3550	0.037	2	109.6764	3.857	138	109.6844	3.838	139	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{1|S<2>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|Cl<1>,1|S<2>,2|O<1>,3|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.2285	0.016	2	109.6764	3.857	138	109.6844	3.838	139	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{3|H<1>,6|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|C<4>,2|O<1>,5|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.6720	0.000	1	109.6764	3.857	138	109.6844	3.838	139	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]O[5]OO)(H)2	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]O[5]OO)(H)2{3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|O<1>,5|H<1>}	H(C[5]C[3x5,6]S[5]H)	110.7850	0.000	1	110.7850	0.000	1	109.6844	3.838	139	109.8550	3.894	158	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]C[5]2H)	H(C[5]C[3x5,6]C[5]2)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>,8|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]C[5]2H){1|C<4>,1|S<1>,2|C<3>,6|H<1>}	H(C[5]C[3x5,6]C[5]2)	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H)	C[3x5,6](C[3x5,6]C[5,6,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH)	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|C<4>,6|H<1>}	C[3x5,6](C[3x5,6]C[5,6,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH){3|C<4>,6|H<1>}	H(C[5]C[3x5,6]C[5]C)	108.0420	0.000	1	108.0420	0.000	1	107.7790	0.138	2	107.2696	1.758	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H)	C[3x5,6](C[3x5,6]C[5,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH)	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|C<4>,6|H<1>}	C[3x5,6](C[3x5,6]C[5,6]O[5,6]C[5])(C[5,6]C[5,6,6]HH)2(C[5]C[5]CH){3|C<4>,6|H<1>}	H(C[5]C[3x5,6]C[5]C)	107.5160	0.000	1	107.5160	0.000	1	107.7790	0.138	2	107.2696	1.758	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[3x5,6]C[5]C)	105.2430	0.000	1	105.2430	0.000	1	106.0395	1.269	2	107.2696	1.758	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]O)(C[5,6]C[5,6]HH)(C[5]C[5]CH)	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]O)(C[5,6]C[5,6]HH)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[3x5,6]C[5]C)	106.8360	0.000	1	106.8360	0.000	1	106.0395	1.269	2	107.2696	1.758	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:S[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]CH)	H(C[5]C[3x5,6]S[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]CH){1|C<3>,2|O<1>,5|H<1>}	H(C[5]C[3x5,6]S[5]C)	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	107.2696	1.758	5	110.2151	2.787	317	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5a]-3:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH)	H(C[5]C[5,5a]C[3x5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2{1|C<4>,1|O<2>,1|S<4>,3|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH){2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5a]C[3x5]H)	111.5700	0.013	2	111.5700	0.000	2	111.5700	0.000	2	111.5700	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	3:4:4:4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	H(C[5]C[3x5]O[5]H)	110.2440	0.018	2	110.2440	0.000	2	110.1908	0.002	6	110.1908	0.002	6	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	3:4:4:4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[3x5]O[5]H)	110.1455	0.005	2	110.1455	0.000	2	110.1908	0.002	6	110.1908	0.002	6	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	3:4:4:4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[6a]C[5]2)(C[5,5]N[5]O[5]H)(C[5]O[5]HH)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[6a]C[5]2)(C[5,5]N[5]O[5]H)(C[5]O[5]HH){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[3x5]O[5]H)	110.1830	0.016	2	110.1830	0.000	2	110.1908	0.002	6	110.1908	0.002	6	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	4:3:4:3:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2	C[3x5](C[5,5]C[5]2O)(N[5,5]C[5]2)(C[5]O[5]HH)(C[5]O[5]O)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[3x5](C[5,5]C[5]2O)(N[5,5]C[5]2)(C[5]O[5]HH)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[3x5]O[5]H)	110.6445	2.273	2	110.6445	5.168	2	110.6445	5.168	2	110.6445	5.168	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	4:4:4:3:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,6|H<1>}	H(C[5]C[3x5]O[5]H)	110.4350	0.010	2	110.4350	0.000	2	110.4350	0.000	2	110.2440	0.049	4	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	4:4:4:3:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|S<4>,3|C<4>,5|H<1>}	H(C[5]C[3x5]O[5]H)	110.0530	0.017	2	110.0530	0.000	2	110.0530	0.000	2	110.2440	0.049	4	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	4:4:4:4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]O[5]HH)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]O[5]HH){10|H<1>}	H(C[5]C[3x5]O[5]H)	110.5787	0.102	4	110.5787	0.010	4	110.7009	0.029	7	110.6786	0.024	9	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	4:4:4:4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	C[3x5](C[3x5]C[5]3)(C[5]N[5]HH)2(C[5]O[5]HH)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{2|C<4>,2|N<4>,6|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]N[5]HH)2(C[5]O[5]HH){10|H<1>}	H(C[5]C[3x5]O[5]H)	110.8637	0.040	3	110.8637	0.002	3	110.7009	0.029	7	110.6786	0.024	9	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:1:1:	4:4:4:4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH){2|O<1>,4|H<1>}	H(C[5]C[3x5]O[5]H)	110.6005	0.037	2	110.6005	0.001	2	110.6005	0.001	2	110.6786	0.024	9	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:2:4:1:	4:3:3:4:	4:	C[3x5]-4:O[5]-2:C-4:H-1:	C[3,3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H)	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH)	H(C[5]C[3x5]O[5]C)	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[3x5]O[5]C)	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:3:4:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3x5]N[5]H)	110.8000	0.030	2	110.8000	0.001	2	110.8000	0.001	2	110.8000	0.001	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:4:3:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[3x5]H)	111.1570	0.004	2	111.1740	0.001	3	111.1740	0.001	3	111.0866	0.007	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:4:3:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[3x5]H)	111.2080	0.000	1	111.1740	0.001	3	111.1740	0.001	3	111.0866	0.007	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:4:3:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[3x5]C[5]H)	111.0210	0.031	4	111.0210	0.001	4	111.0210	0.001	4	111.0866	0.007	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5,6])(C[5]O[5]O)(H)2	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5,6])(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<1>}	H(C[5]C[3x5]C[5]H)	110.8900	0.027	2	110.8900	0.001	2	110.8900	0.001	2	110.6305	0.039	10	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[3x5]C[5]H)	110.8235	0.025	2	110.8235	0.001	2	110.8235	0.001	2	110.6305	0.039	10	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]O[5]O)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3x5]C[5]H)	110.4495	0.016	2	110.4495	0.000	2	110.4495	0.000	2	110.6305	0.039	10	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	3:4:4:4:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[3x5]N[5]H)	110.4947	0.026	4	110.4947	0.001	4	110.4947	0.001	4	110.6305	0.039	10	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:3:4:2:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]O[5])(C[5]C[5]H)(H)2	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]O[5])(C[5]C[5]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5]C[3x5]C[5]H)	110.1125	0.626	2	110.1125	0.392	2	110.1125	0.392	2	110.1125	0.392	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:3:4:3:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3x5]H)	111.1225	0.005	2	111.1225	0.000	2	111.1225	0.000	2	111.1225	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]O)(H)2	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[3x5]C[5]H)	110.8660	0.028	2	110.8660	0.001	2	110.8660	0.001	2	110.8795	0.003	6	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]O)(H)2	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2{2|O<1>,3|C<4>,7|H<1>}	H(C[5]C[3x5]C[5]H)	110.8863	0.062	4	110.8863	0.004	4	110.8863	0.004	4	110.8795	0.003	6	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]H)(H)2	C[3x5](C[3x5]C[5]N[5]O[5])(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3x5](C[3x5]C[5]N[5]O[5])(C[5]C[5]HH)2(O[5]C[5]){1|Si<4>,1|O<1>,4|H<1>}	H(C[5]C[3x5]C[5]H)	111.2570	0.072	4	111.2570	0.005	4	110.9958	0.081	8	111.0051	0.107	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]O)(H)2	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[3x5]C[5]H)	110.7345	0.040	4	110.7345	0.002	4	110.9958	0.081	8	111.0051	0.107	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[5,5]2O[5])(C[5]C[5]C)(H)2	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2O[5])(C[5]C[5]C)(H)2{4|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>}	H(C[5]C[3x5]C[5]H)	111.3688	0.065	4	111.3688	0.004	4	111.3688	0.004	4	111.0051	0.107	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[3x5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]O[5]O)(H)2	C[3x5](C[5,6]C[6,6a]C[5,6]H)(C[3x5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]O[5]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3x5](C[5,6]C[6,6a]C[5,6]H)(C[3x5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[3x5]C[5]H)	110.6603	0.078	4	110.6603	0.006	4	110.6603	0.006	4	111.0051	0.107	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:3:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,8|H<1>}	H(C[5]C[5,6a]C[3x5]H)	110.7606	0.220	8	110.7606	0.048	8	110.7606	0.048	8	110.8434	0.060	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,5]C[5])(C[5]C[5]H)(H)2	C[3x5](C[3x5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,5]C[5])(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x5](C[3x5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	H(C[5]C[3x5]C[5]H)	111.1208	0.085	4	111.1208	0.007	4	111.1208	0.007	4	110.8434	0.060	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)2(C[5]O[5]O)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)2(C[5]O[5]O){1|C<3>,1|O<2>,6|H<1>}	H(C[5]C[3x5]C[5]H)	110.9105	0.012	2	110.9105	0.000	2	110.9105	0.000	2	110.8434	0.060	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:3:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]S)(H)2	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[3x5](C[5,5]C[5]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){2|S<4>,3|C<4>,5|H<1>}	H(C[5]C[3x5]N[5]H)	110.5530	0.030	2	110.5530	0.001	2	110.5530	0.001	2	110.8434	0.060	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5,6]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[3x5]C[5,6]H)	110.9635	0.009	2	110.9635	0.000	2	110.9635	0.000	2	111.3519	4.950	8	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]H)	110.2865	0.018	2	112.0250	10.234	4	111.4813	6.850	6	111.3519	4.950	8	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]H)	113.7635	4.314	2	112.0250	10.234	4	111.4813	6.850	6	111.3519	4.950	8	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2	C[3x5](C[3x5]C[5]O[5]2)(C[5]C[5]HH)3	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[3x5](C[3x5]C[5]O[5]2)(C[5]C[5]HH)3{1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[3x5]C[5]H)	110.3940	0.024	2	110.3940	0.001	2	111.4813	6.850	6	111.3519	4.950	8	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:2:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H)	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5])	H(C[5]C[3x5]C[5]O)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H){1|B<3>,1|O<2>,5|C<4>}	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[3x5]C[5]O)	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:2:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:O-2:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	H(C[5]C[3x5]C[5]O)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[3x5]C[5]O)	108.0940	0.000	1	108.3300	0.111	2	108.3300	0.111	2	109.9007	7.457	3	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:2:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:O-2:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	H(C[5]C[3x5]C[5]O)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[3x5]C[5]O)	108.5660	0.000	1	108.3300	0.111	2	108.3300	0.111	2	109.9007	7.457	3	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:2:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5]C[3x5]C[5]O)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH){2|O<1>,4|H<1>}	H(C[5]C[3x5]C[5]O)	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	109.9007	7.457	3	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:4:1:	4:4:4:4:	4:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]C[3x5]C[6a]C[5])	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<2>,5|C<3>,6|H<1>}	H(C[5]C[3x5]C[6a]C[5])	103.9570	0.000	1	105.7840	6.676	2	105.7840	6.676	2	105.7840	6.676	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:3:4:1:	4:4:4:4:	4:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]C[3x5]C[6a]C[5])	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<2>,4|C<3>,6|H<1>}	H(C[5]C[3x5]C[6a]C[5])	107.6110	0.000	1	105.7840	6.676	2	105.7840	6.676	2	105.7840	6.676	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3x5]C[5]H)	111.4685	0.008	2	111.4685	0.000	2	111.4685	0.000	2	111.4685	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[3x5]C[5]H)	111.2975	0.011	2	111.2384	0.004	5	111.2384	0.004	5	111.0039	0.163	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[3x5]C[5]H)	111.1990	0.056	3	111.2384	0.004	5	111.2384	0.004	5	111.0039	0.163	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:3:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,5|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[3x5]C[5]H)	110.4175	0.019	2	110.4175	0.000	2	110.4175	0.000	2	111.0039	0.163	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:4:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5]){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[3x5]C[5]H)	110.8705	0.053	2	110.8705	0.003	2	110.8705	0.003	2	110.8705	0.003	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2{1|N<3>,6|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH){1|C<4>,4|H<1>,7|C<3>}	H(C[5]C[3x5]C[5]H)	111.4025	0.013	2	111.4025	0.000	2	111.4025	0.000	2	110.9075	0.083	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,5|C<3>,5|H<1>}	H(C[5]C[3x5]C[5]H)	110.9890	0.014	2	110.9810	0.006	6	110.9864	0.005	8	110.9075	0.083	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	H(C[5]C[3x5]C[5]H)	110.9770	0.102	4	110.9810	0.006	6	110.9864	0.005	8	110.9075	0.083	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[3x5]C[5]H)	111.0025	0.050	2	111.0025	0.003	2	110.9864	0.005	8	110.9075	0.083	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3x5]C[5]H)	110.9105	0.005	2	110.9105	0.000	2	110.9105	0.000	2	110.9075	0.083	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	3:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[3x5](N[5,5]C[5]O[5])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[3x5](N[5,5]C[5]O[5])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<3>,9|H<1>}	H(C[5]C[3x5]C[5]H)	110.5007	0.039	4	110.5007	0.002	4	110.5007	0.002	4	110.9075	0.083	16	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:2:4:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:O[5]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5,5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5,5]){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]H)	111.3810	0.006	2	111.3810	0.000	2	111.3810	0.000	2	111.3810	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:2:	4:	C[3x5]-4:S[5]-4:H-1:H-1:	C[3x5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]N[5,5]O[5])(S[5]O[5]OO)(H)2	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])	H(C[5]C[3x5]S[5]H)	C[5](C[3x5]C[3x5]N[5,5]O[5])(S[5]O[5]OO)(H)2{1|C<3>,4|C<4>}	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,3|O<1>,6|H<1>}	H(C[5]C[3x5]S[5]H)	111.1455	0.021	2	111.1455	0.000	2	111.1455	0.000	2	111.1455	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,4|C<3>,5|H<1>}	H(C[5]C[3x5]C[5]H)	111.3690	0.013	2	111.3690	0.000	2	111.3690	0.000	2	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2{2|O<1>,3|C<4>,7|H<1>}	H(C[5]C[3x5]C[5]H)	110.2350	0.195	4	110.2350	0.038	4	110.2350	0.038	4	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2{1|C<3>,2|O<2>,8|H<1>}	H(C[5]C[3x5]C[5]H)	108.6085	2.214	2	109.6788	6.915	4	109.6788	6.915	4	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2{1|C<3>,2|O<2>,8|H<1>}	H(C[5]C[3x5]C[5]H)	110.7490	3.356	2	109.6788	6.915	4	109.6788	6.915	4	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[3x5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,2|N<3>,5|C<3>}	C[3x5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[3x5]C[5]H)	110.9295	0.006	2	110.9295	0.000	2	110.9295	0.000	2	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2{1|O<1>,1|O<2>,7|H<1>}	H(C[5]C[3x5]C[5]H)	111.2835	0.005	2	111.2013	0.020	3	111.3650	0.040	6	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2{1|O<1>,1|O<2>,7|H<1>}	H(C[5]C[3x5]C[5]H)	111.0370	0.000	1	111.2013	0.020	3	111.3650	0.040	6	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2	C[3x5](C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x5](C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]CH)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]C[3x5]C[5]H)	111.5287	0.009	3	111.5287	0.000	3	111.3650	0.040	6	110.6912	1.750	18	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:2:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])2{1|O<1>,1|O<2>,9|H<1>}	H(C[5]C[3x5]C[5]H)	111.1985	0.008	2	111.1985	0.000	2	111.1985	0.000	2	111.1985	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:3:3:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]N[5]2)(C[5]C[5]HH)(N[5]C[5]C)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[3x5](C[3x5]C[5]N[5]2)(C[5]C[5]HH)(N[5]C[5]C)2{2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[3x5]C[5]H)	111.0112	0.207	36	111.0112	0.043	36	111.0112	0.043	36	111.0112	0.043	36	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	H(C[5]C[3x5]C[5,5]H)	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,6|C<4>}	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[3x5]C[5,5]H)	110.3547	0.042	3	110.3547	0.002	3	110.3547	0.002	3	110.7433	0.145	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[3x5]C[5]H)	111.0348	0.158	4	111.0348	0.025	4	111.0348	0.025	4	110.7433	0.145	7	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H){5|C<3>,7|H<1>}	H(C[5]C[3x5]C[5]H)	111.0065	0.081	4	111.0065	0.007	4	111.0065	0.007	4	111.0065	0.007	4	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2{1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[3x5]C[5,6]H)	110.7303	0.222	3	110.7303	0.049	3	110.7303	0.049	3	110.9905	0.204	13	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[3x5]C[5]H)	111.0350	0.000	1	111.0350	0.000	1	111.2694	0.021	5	110.9905	0.204	13	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2	C[3x5](C[3x5]C[5]N[5]O[5])(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[3x5](C[3x5]C[5]N[5]O[5])(C[5]C[5]HH)2(O[5]C[5]){1|Si<4>,1|O<1>,4|H<1>}	H(C[5]C[3x5]C[5]H)	111.3280	0.074	4	111.3280	0.006	4	111.2694	0.021	5	110.9905	0.204	13	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,5,6]C[5,6]O[5,6]O)(C[5,5,6,6]C[5,6,6]2C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]O[5,6]O)(C[5,5,6,6]C[5,6,6]2C)(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[3x5]C[5]H)	110.3930	0.666	2	110.3930	0.444	2	110.3930	0.444	2	110.9905	0.204	13	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[3x5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|O<2>,9|H<1>}	H(C[5]C[3x5]C[5]H)	111.2355	0.622	2	111.1840	0.201	3	111.1840	0.201	3	110.9905	0.204	13	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[3x5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,9|H<1>}	H(C[5]C[3x5]C[5]H)	111.0810	0.000	1	111.1840	0.201	3	111.1840	0.201	3	110.9905	0.204	13	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)2(C[5]O[5]O)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)2(C[5]O[5]O){1|C<3>,1|O<2>,6|H<1>}	H(C[5]C[3x5]C[5]H)	110.8225	0.062	2	110.8225	0.004	2	110.8225	0.004	2	110.8225	0.004	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]O[5]2)(H)2	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2C)(C[5]C[5,5]HH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5,5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]O[5]2)(H)2{1|C<3>,4|H<1>,7|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2C)(C[5]C[5,5]HH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[3x5]C[5,5]H)	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3x5]C[5,6]H)	112.7710	1.281	2	112.7710	1.642	2	112.7710	1.642	2	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2{1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[3x5]C[5]H)	110.6535	0.195	4	110.6504	0.018	8	110.6504	0.018	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[3x5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(C[5]C[5]HH)2{2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[3x5]C[5]H)	110.6472	0.072	4	110.6504	0.018	8	110.6504	0.018	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]O[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]O[5]HH){10|H<1>}	H(C[5]C[3x5]C[5]H)	110.8903	0.083	4	110.8903	0.007	4	110.9206	0.042	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]O[5]2)(C[5]C[5]HH)3	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[3x5](C[3x5]C[5]O[5]2)(C[5]C[5]HH)3{1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[3x5]C[5]H)	110.6950	0.033	2	110.6950	0.001	2	110.9206	0.042	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2	C[3x5](C[3x5]C[5]O[5]2)(C[5]C[5]HH)3	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5](C[3x5]C[5]O[5]2)(C[5]C[5]HH)3{1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[3x5]C[5]H)	111.2070	0.038	2	111.2070	0.001	2	110.9206	0.042	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2C)(C[5]C[5,5]HH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,7|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2C)(C[5]C[5,5]HH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[3x5]C[5]H)	110.5500	0.000	1	110.5500	0.000	1	110.5500	0.000	1	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]CC)(H)2	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]CC)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[3x5]C[5]H)	110.4410	0.006	2	110.4410	0.000	2	110.3531	8.250	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	C[3x5](C[5,5]C[5]2C)2(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[3x5](C[5,5]C[5]2C)2(C[5]C[5]HH)2{1|Si<4>,1|O<1>,9|H<1>}	H(C[5]C[3x5]C[5]H)	109.5315	7.100	2	109.5315	50.411	2	110.3531	8.250	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2	C[3x5](C[5,5]C[5]2C)2(C[5]C[5]HH)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[3x5](C[5,5]C[5]2C)2(C[5]C[5]HH)2{1|Si<4>,1|O<1>,9|H<1>}	H(C[5]C[3x5]C[5]H)	110.5925	2.316	2	110.5925	5.363	2	110.3531	8.250	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2{3|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH){2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[3x5]C[5]H)	110.8475	0.087	2	110.8475	0.008	2	110.3531	8.250	8	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:N[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]O[5]HH)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]O[5]HH){10|H<1>}	H(C[5]C[3x5]N[5]H)	110.7408	0.057	4	110.7408	0.003	4	110.8190	0.014	10	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:N[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	C[3x5](C[3x5]C[5]3)(C[5]N[5]HH)2(C[5]O[5]HH)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]N[5]HH)2(C[5]O[5]HH){10|H<1>}	H(C[5]C[3x5]N[5]H)	110.8712	0.126	6	110.8712	0.016	6	110.8190	0.014	10	110.8007	1.883	38	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:2:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H)	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H)	H(C[5]C[3x5]C[5]O)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,6|H<1>}	H(C[5]C[3x5]C[5]O)	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:3:1:	3:4:4:4:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,5|C<3>,5|H<1>}	H(C[5]C[3x5]C[5,6]C[5a])	107.0530	0.000	1	106.9273	0.015	3	106.9273	0.015	3	106.9273	0.015	3	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:3:1:	3:4:4:4:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	H(C[5]C[3x5]C[5,6]C[5a])	106.8645	0.074	2	106.9273	0.015	3	106.9273	0.015	3	106.9273	0.015	3	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:3:1:	4:3:4:4:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[3x5]C[5,6]C[5a])	107.2940	0.000	1	106.9970	0.176	2	106.9970	0.176	2	106.9970	0.176	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:3:1:	4:3:4:4:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,4|C<3>,5|H<1>}	H(C[5]C[3x5]C[5,6]C[5a])	106.7000	0.000	1	106.9970	0.176	2	106.9970	0.176	2	106.9970	0.176	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<2>,5|C<3>,6|H<1>}	H(C[5]C[3x5]C[5]C)	107.8610	0.000	1	107.8725	0.000	2	107.8725	0.000	2	107.8725	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){2|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<2>,4|C<3>,6|H<1>}	H(C[5]C[3x5]C[5]C)	107.8840	0.000	1	107.8725	0.000	2	107.8725	0.000	2	107.8725	0.000	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:3:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H)	C[3x5](C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H){2|C<4>,2|O<2>,5|H<1>}	C[3x5](C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]CH)(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]C[3x5]C[5]C)	105.1590	0.083	2	105.1590	0.007	2	105.1590	0.007	2	105.1590	0.007	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:3:3:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]C)	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:3:4:	4:	C[3x5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5,5]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H)	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]C[6])	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H){2|O<2>,4|C<4>,9|H<1>}	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[3x5]C[5]C[6])	104.9785	0.291	2	104.9785	0.084	2	104.9785	0.084	2	104.9785	0.084	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(N[5]C[5]C)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,4|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(N[5]C[5]C){12|H<1>}	H(C[5]C[3x5]C[5]C)	106.7780	0.079	2	106.7780	0.006	2	106.7780	0.006	2	106.7780	0.006	2	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]C)	106.7420	0.000	1	106.8000	0.007	2	106.8000	0.007	2	107.1050	2.681	5	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[3x5](C[3x5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]C)	106.8580	0.000	1	106.8000	0.007	2	106.8000	0.007	2	107.1050	2.681	5	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[3x5]C[5]C)	105.5300	0.000	1	105.5300	0.000	1	106.0225	0.485	2	107.1050	2.681	5	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[3x5]C[5]C)	106.5150	0.000	1	106.5150	0.000	1	106.0225	0.485	2	107.1050	2.681	5	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[3x5]C[5]C)	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	107.1050	2.681	5	110.5219	2.168	270	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[4x5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[4x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2	C[4x5,6,6](C[4x5,3x6]C[3x5,3x6]C[5,5,6]O[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[5]C[5,6]HH)	H(C[5]C[4x5,6,6]C[5,6]H)	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2{1|O<1>,3|H<1>,6|C<4>}	C[4x5,6,6](C[4x5,3x6]C[3x5,3x6]C[5,5,6]O[5,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[5]C[5,6]HH){5|C<4>,5|H<1>}	H(C[5]C[4x5,6,6]C[5,6]H)	111.1960	0.030	2	111.1960	0.001	2	111.1960	0.001	2	111.1960	0.001	2	111.1960	0.001	2	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[4x5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3,3x5]-4:C[5]-4:	C[5]-4:	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2	C[4x5,6](C[3x5,6]C[3,5,5]C[3x5,6]H)2(C[3,3x5]C[3,5,5]2C[5])(C[5]N[5]HH)	H(C[5]C[4x5,6]N[5]H)	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2{4|H<1>,6|C<4>}	C[4x5,6](C[3x5,6]C[3,5,5]C[3x5,6]H)2(C[3,3x5]C[3,5,5]2C[5])(C[5]N[5]HH){1|C<3>,2|C<4>,8|H<1>}	H(C[5]C[4x5,6]N[5]H)	111.4380	0.057	2	111.4380	0.003	2	111.4380	0.003	2	111.4380	0.003	2	111.3515	0.013	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[4x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x5,6]-4:C[5]-4:H-1:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-4:C[5]-4:	C[5]-4:	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HH)	H(C[5]C[4x5,6]C[5]H)	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2{5|C<4>,5|H<1>}	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HH){10|H<1>,1|O<2>}	H(C[5]C[4x5,6]C[5]H)	111.2650	0.075	2	111.2650	0.006	2	111.2650	0.006	2	111.2650	0.006	2	111.3515	0.013	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[4x5]	H	4:4:1:1:	4:4:4:4:	4:	C[4x5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)	H(C[5]C[4x5]C[5,5]H)	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,5|C<4>}	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|C<4>,4|O<2>,6|H<1>}	H(C[5]C[4x5]C[5,5]H)	110.4120	0.013	2	110.7645	0.166	4	110.7645	0.166	4	110.7645	0.166	4	110.7645	0.166	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[4x5]	H	4:4:1:1:	4:4:4:4:	4:	C[4x5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)	H(C[5]C[4x5]C[5,5]H)	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,5|C<4>}	C[4x5](C[3x5]C[5,5]C[5]O[5])(C[3x5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>,5|O<2>}	H(C[5]C[4x5]C[5,5]H)	111.1170	0.007	2	110.7645	0.166	4	110.7645	0.166	4	110.7645	0.166	4	110.7645	0.166	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	3:3:3:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2{1|O<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,3x6]O[5]H)	116.5555	8.729	2	116.5555	76.200	2	116.5555	76.200	2	113.4677	38.112	4	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	3:3:3:4:	4:	C[5,3x6]-4:S[5]-2:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	H(C[5]C[5,3x6]S[5]H)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2{2|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,3x6]S[5]H)	110.3800	0.020	2	110.3800	0.000	2	110.3800	0.000	2	113.4677	38.112	4	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	3:4:2:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,3x6]O[5]H)	110.5687	0.040	4	110.5687	0.002	4	110.5823	0.001	6	110.5823	0.001	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	3:4:2:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,3x6]O[5]H)	110.6095	0.005	2	110.6095	0.000	2	110.5823	0.001	6	110.5823	0.001	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	3:4:3:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,3x6]O[5]H)	111.1957	0.975	6	111.1957	0.950	6	111.2160	0.943	8	111.2160	0.943	8	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	3:4:3:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,3x6]O[5]H)	111.2770	1.356	2	111.2770	1.839	2	111.2160	0.943	8	111.2160	0.943	8	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2{2|O<1>,3|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH){1|C<4>,2|O<1>,6|H<1>}	H(C[5]C[5,3x6]O[5]H)	111.3840	0.846	2	111.3840	0.715	2	111.3840	0.715	2	111.3840	0.715	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	4:3:3:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,3x6]O[5]H)	112.4790	3.025	2	112.4790	9.151	2	112.4790	9.151	2	112.4790	9.151	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,3x6]O[5]H)	110.3245	0.079	6	110.3245	0.006	6	110.3245	0.006	6	110.7841	0.809	14	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	H(C[5]C[5,3x6]O[5]H)	110.4520	0.034	2	110.4520	0.001	2	111.1287	1.180	8	110.7841	0.809	14	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,3x6]O[5]H)	110.6570	0.021	2	110.6570	0.000	2	111.1287	1.180	8	110.7841	0.809	14	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,3x6]O[5]H)	110.5845	0.013	2	111.7030	1.860	4	111.1287	1.180	8	110.7841	0.809	14	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,3x6]O[5]H)	112.8215	0.759	2	111.7030	1.860	4	111.1287	1.180	8	110.7841	0.809	14	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:1:1:	3:4:3:2:	4:	C[5,3x6]-4:C[5,6a]-3:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	H(C[5]C[5,3x6]C[5,6a]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,3x6]C[5,6a]H)	110.6695	0.224	2	110.6695	0.050	2	110.6695	0.050	2	110.6695	0.050	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,3x6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH)	H(C[5]C[5,3x6]N[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH){1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5,3x6]N[5]H)	111.2500	1.273	2	111.2500	1.620	2	111.2500	1.620	2	111.2500	1.620	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	111.2040	0.041	12	111.2040	0.002	12	111.2040	0.002	12	111.2040	0.002	12	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]C)(H)2	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.9480	0.006	2	110.9480	0.000	2	110.9480	0.000	2	110.9480	0.000	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2{4|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	111.4760	0.035	2	111.4760	0.001	2	111.4760	0.001	2	111.2187	0.945	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[4x6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<2>,3|C<4>,7|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.9000	2.093	2	110.9000	4.381	2	110.9000	4.381	2	111.2187	0.945	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,3x6]-4:N[5,5]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH)	H(C[5]C[5,3x6]N[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,3x6]N[5,5]H)	111.2800	0.007	2	111.2800	0.000	2	111.2800	0.000	2	111.2187	0.945	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:2:1:	3:3:2:4:	4:	C[5,3x6]-4:C[5]-3:O-2:H-1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	H(C[5]C[5,3x6]C[5]O)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,3x6]C[5]O)	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5]C[5,3x6]C[5]O)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5]O)	108.4110	0.000	1	109.0325	0.773	2	108.8687	0.180	6	108.8687	0.180	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5]C[5,3x6]C[5]O)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5]O)	109.6540	0.000	1	109.0325	0.773	2	108.8687	0.180	6	108.8687	0.180	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5]C[5,3x6]C[5]O)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,3x6]C[5]O)	108.8460	0.000	1	108.8100	0.020	3	108.8687	0.180	6	108.8687	0.180	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	H(C[5]C[5,3x6]C[5]O)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5]O)	108.7920	0.194	2	108.8100	0.020	3	108.8687	0.180	6	108.8687	0.180	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	H(C[5]C[5,3x6]C[5]O)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,3x6]C[5]O)	108.7170	0.000	1	108.7170	0.000	1	108.8687	0.180	6	108.8687	0.180	6	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,3x6]-4:C[5]-3:C-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,3x6]C[5]C)	106.1750	0.000	1	106.1750	0.000	1	106.1750	0.000	1	106.1750	0.000	1	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:4:1:	3:3:3:4:	4:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH)	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,3x6]C[5]C)	109.9550	0.824	2	109.9550	0.680	2	109.9550	0.680	2	109.9550	0.680	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:3:4:1:	3:3:4:4:	4:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,3x6]C[5]C)	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:3:2:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	111.0385	0.019	2	111.0385	0.000	2	111.0385	0.000	2	111.0385	0.000	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N[5,6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>,2|O<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,3x6]C[5,6]H)	110.9530	0.040	2	111.3208	0.112	9	111.3208	0.112	9	111.3208	0.112	9	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5,6]H)	111.1433	0.060	3	111.3208	0.112	9	111.3208	0.112	9	111.3208	0.112	9	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|O<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,3x6]C[5,6]H)	111.8105	0.050	2	111.3208	0.112	9	111.3208	0.112	9	111.3208	0.112	9	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5,6]H)	111.4650	0.016	2	111.3208	0.112	9	111.3208	0.112	9	111.3208	0.112	9	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:O[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,3x6]C[5]H)	109.8670	2.141	2	109.8670	4.584	2	109.8670	4.584	2	109.8670	4.584	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.9413	0.173	11	110.9465	0.025	13	110.8590	0.089	22	110.8590	0.089	22	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.9755	0.009	2	110.9465	0.025	13	110.8590	0.089	22	110.8590	0.089	22	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.9860	0.025	2	110.9357	0.003	7	110.8590	0.089	22	110.8590	0.089	22	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.9156	0.048	5	110.9357	0.003	7	110.8590	0.089	22	110.8590	0.089	22	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.0210	0.066	2	110.0210	0.004	2	110.8590	0.089	22	110.8590	0.089	22	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	110.1700	0.000	1	110.1700	0.000	1	110.4155	0.028	4	110.6162	0.259	12	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	110.4975	0.049	2	110.4973	0.001	3	110.4155	0.028	4	110.6162	0.259	12	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2{2|C<3>,2|N<3>,2|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	110.4970	0.000	1	110.4973	0.001	3	110.4155	0.028	4	110.6162	0.259	12	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.6260	0.898	4	110.6260	0.806	4	110.6260	0.806	4	110.6162	0.259	12	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.9080	0.010	2	110.9080	0.000	2	110.8070	0.014	4	110.6162	0.259	12	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.7060	0.042	2	110.7060	0.002	2	110.8070	0.014	4	110.6162	0.259	12	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[3,6,6]-4:C[5,6,6]-4:N[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.9000	0.033	2	110.9000	0.001	2	110.9000	0.001	2	110.7142	0.046	4	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.5285	0.018	2	110.5285	0.000	2	110.5285	0.000	2	110.7142	0.046	4	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	110.3330	0.013	4	110.3330	0.000	4	110.2718	0.009	6	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	110.1495	0.008	2	110.1495	0.000	2	110.2718	0.009	6	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	111.0945	0.036	2	111.0945	0.001	2	111.0945	0.001	2	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.7110	1.530	5	110.7768	1.218	13	110.7768	1.218	13	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	111.0708	0.041	4	110.7768	1.218	13	110.7768	1.218	13	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|C<4>,2|O<2>,7|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.7895	2.121	2	110.7768	1.218	13	110.7768	1.218	13	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.3405	0.049	2	110.7768	1.218	13	110.7768	1.218	13	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.6840	0.819	2	110.6840	0.670	2	110.6840	0.670	2	110.6646	0.764	23	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,3x6]C[5,6]H)	111.2161	0.021	7	111.2161	0.000	7	111.2161	0.000	7	111.0419	0.065	11	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.8630	0.016	2	110.8630	0.000	2	110.8630	0.000	2	111.0419	0.065	11	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	H(C[5]C[5,3x6]C[5]H)	110.6110	0.011	2	110.6110	0.000	2	110.6110	0.000	2	111.0419	0.065	11	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:2:1:	3:3:4:2:	4:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	H(C[5]C[5,3x6]C[5,5]O)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,2|N<3>,4|C<3>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5,3x6]C[5,5]O)	111.2665	0.525	2	111.2665	0.276	2	112.3058	1.534	4	112.3058	1.534	4	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:2:1:	3:3:4:2:	4:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	H(C[5]C[5,3x6]C[5,5]O)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,3x6]C[5,5]O)	113.3450	0.082	2	113.3450	0.007	2	112.3058	1.534	4	112.3058	1.534	4	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:4:1:	3:4:3:4:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH)	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH){3|C<4>,7|H<1>}	H(C[5]C[5,3x6]C[5]C)	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H)	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH)	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH){2|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,3x6]C[5]C)	103.9210	0.000	1	103.9210	0.000	1	103.9210	0.000	1	106.9440	18.277	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH)	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,3x6]C[5]C)	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	106.9440	18.277	2	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,3x6]C[5]C)	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	110.7735	2.350	165	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH)	H(C[5]C[5,4x6]C[5,6]H)	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2{1|O<2>,3|C<3>,4|H<1>,6|C<4>}	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,4x6]C[5,6]H)	110.9005	1.001	2	110.9005	1.001	2	110.9005	1.001	2	110.9535	0.337	4	110.9535	0.337	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,4x6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	H(C[5]C[5,4x6]C[5]H)	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2{1|H<1>,1|N<3>,6|C<4>}	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	H(C[5]C[5,4x6]C[5]H)	111.0065	0.005	2	111.0065	0.000	2	111.0065	0.000	2	110.9535	0.337	4	110.9535	0.337	4	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,3x6]C[5,3x6]C[5,6,6]2)(O[5]C[5])(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)	H(C[5]C[5,5,3x6]O[5]H)	C[5](C[5,5,3x6]C[5,3x6]C[5,6,6]2)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	H(C[5]C[5,5,3x6]O[5]H)	110.6704	0.036	5	110.6704	0.001	5	110.6704	0.001	5	110.6704	0.001	5	110.6704	0.001	5	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:O[5]-2:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH)	H(C[5]C[5,5,6,6]O[5]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6,6]O[5]H)	111.3755	0.015	2	111.3755	0.000	2	111.3755	0.000	2	111.3755	0.000	2	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{2|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	111.5375	0.029	2	111.5375	0.001	2	111.3250	0.061	4	111.3250	0.061	4	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|H<1>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,9|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	111.1125	0.033	2	111.1125	0.001	2	111.3250	0.061	4	111.3250	0.061	4	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	4:3:3:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|H<1>,1|W<7>,2|C<4>,8|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	111.1610	0.007	2	111.1065	0.004	4	111.0555	0.009	6	111.0555	0.009	6	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	4:3:3:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|Re<7>,1|H<1>,2|C<4>,8|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	111.0520	0.007	2	111.1065	0.004	4	111.0555	0.009	6	111.0555	0.009	6	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	4:3:3:4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH){1|Re<6>,1|H<1>,2|C<4>,8|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	110.9535	0.009	2	110.9535	0.000	2	111.0555	0.009	6	111.0555	0.009	6	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	H(C[5]C[5,5,6,6]C[5,5a]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	H(C[5]C[5,5,6,6]C[5,5a]H)	111.2805	0.012	2	111.2805	0.000	2	111.2678	0.000	4	111.3057	0.004	6	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	H(C[5]C[5,5,6,6]C[5,5a]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	H(C[5]C[5,5,6,6]C[5,5a]H)	111.2550	0.011	2	111.2550	0.000	2	111.2678	0.000	4	111.3057	0.004	6	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6])(H)2	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5,6]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6])(H)2{2|H<1>,2|O<1>,3|C<3>,5|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6,6]C[5,6]H)	111.3815	0.025	2	111.3815	0.001	2	111.3815	0.001	2	111.3057	0.004	6	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6,6]O)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6,6]O)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	111.1880	0.318	2	111.1880	0.101	2	111.1880	0.101	2	111.1880	0.101	2	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,5,6,6]-4:N[5]-3:C-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH)	H(C[5]C[5,5,6,6]N[5]C)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H){2|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH){1|C<4>,2|H<1>,8|C<3>}	H(C[5]C[5,5,6,6]N[5]C)	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<7>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H){10|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5,6,6]C[6a]N[5])	107.8410	0.000	1	107.8410	0.000	1	107.7677	0.121	3	107.7677	0.121	3	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]W)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|P<4>,1|W<7>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]W)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H){10|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5,6,6]C[6a]N[5])	108.0730	0.000	1	108.0730	0.000	1	107.7677	0.121	3	107.7677	0.121	3	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<6>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H){2|C<4>,2|H<1>,9|C<3>}	H(C[5]C[5,5,6,6]C[6a]N[5])	107.3890	0.000	1	107.3890	0.000	1	107.7677	0.121	3	107.7677	0.121	3	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH){1|H<1>,1|O<1>,3|C<4>,7|C<3>}	H(C[5]C[5,5,6,6]C[5]C)	106.3430	0.000	1	106.3430	0.000	1	106.5040	0.052	2	106.5040	0.052	2	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	H(C[5]C[5,5,6,6]C[5]C)	106.6650	0.000	1	106.6650	0.000	1	106.5040	0.052	2	106.5040	0.052	2	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H)	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H){2|H<1>,5|C<4>}	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6,6]C[5]C)	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5,6,6]-4:N[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2{2|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){2|C<4>,2|H<1>,8|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	110.3267	0.213	7	110.3267	0.045	7	110.3267	0.045	7	110.3267	0.045	7	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	111.2205	0.006	2	111.2205	0.000	2	111.2205	0.000	2	111.2205	0.000	2	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:N[5,5]-3:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.8663	0.084	3	110.8663	0.007	3	110.8663	0.007	3	110.8663	0.007	3	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5,6]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,5,6,6]C[5,6]H)	111.3937	0.121	4	111.3937	0.015	4	111.3937	0.015	4	111.2338	0.030	12	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	111.2010	0.047	4	111.2010	0.002	4	111.2240	0.003	6	111.2338	0.030	12	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	111.2700	0.016	2	111.2700	0.000	2	111.2240	0.003	6	111.2338	0.030	12	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[3x6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH){1|O<2>,2|O<1>,4|C<3>,6|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.9430	0.006	2	110.9430	0.000	2	110.9430	0.000	2	111.2338	0.030	12	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.6870	0.205	2	110.8530	0.051	4	110.8530	0.051	4	110.8824	0.020	10	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	111.0190	0.034	2	110.8530	0.051	4	110.8530	0.051	4	110.8824	0.020	10	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.9660	0.061	2	110.9660	0.004	2	110.9660	0.004	2	110.8824	0.020	10	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.8590	0.014	2	110.8590	0.000	2	110.8590	0.000	2	110.8824	0.020	10	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.8810	0.021	2	110.8810	0.000	2	110.8810	0.000	2	110.8824	0.020	10	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|O<1>,3|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	111.0710	0.023	2	111.0710	0.001	2	111.0710	0.001	2	110.7280	0.158	4	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<2>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.3850	0.049	2	110.3850	0.002	2	110.3850	0.002	2	110.7280	0.158	4	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5,6,6]C[6a]C[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H){12|C<3>,2|H<1>}	H(C[5]C[5,5,6,6]C[6a]C[5])	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:3:1:	4:2:4:3:	4:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6,6]C[5]C)	108.0805	0.180	2	108.0805	0.033	2	107.5540	0.848	3	107.5540	0.848	3	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:3:1:	4:2:4:3:	4:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6,6]C[5]C)	106.5010	0.000	1	106.5010	0.000	1	107.5540	0.848	3	107.5540	0.848	3	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(COO)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(COO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH){1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5,5,6,6]C[5]C)	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	110.7825	0.273	2	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[5]-4:N-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(NOO)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN)	H(C[5]C[5,5,6,6]C[5]N)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN){1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5,5,6,6]C[5]N)	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.7825	0.273	2	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H){3|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6,6]C[5]C)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5,6,6]C[5]C)	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	110.4726	1.723	73	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	H(C[5]C[5,5,6]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5,6a]O)	110.4310	0.000	1	110.4310	0.000	1	109.0640	1.572	3	109.0640	1.572	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	H(C[5]C[5,5,6]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,6a]O)	108.3805	0.583	2	108.3805	0.340	2	109.0640	1.572	3	109.0640	1.572	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	H(C[5]C[5,5,6]C[5,6a]C)	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,6a]C)	110.4745	0.612	4	110.4745	0.374	4	109.9346	0.587	8	109.9346	0.587	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	H(C[5]C[5,5,6]C[5,6a]C)	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,6a]C)	109.3948	0.468	4	109.3948	0.219	4	109.9346	0.587	8	109.9346	0.587	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	3:4:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|Br<1>,1|O<1>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.6315	0.011	2	110.7280	0.013	4	110.7280	0.013	4	110.7280	0.013	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	3:4:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,3|C<3>,7|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.8245	0.012	2	110.7280	0.013	4	110.7280	0.013	4	110.7280	0.013	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.4008	0.017	4	110.3942	0.000	6	110.3942	0.000	6	110.3942	0.000	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.3810	0.006	2	110.3942	0.000	6	110.3942	0.000	6	110.3942	0.000	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	110.3780	0.023	2	110.3780	0.001	2	110.3780	0.001	2	110.3780	0.001	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.4890	0.021	2	110.4890	0.000	2	110.5628	0.025	6	110.5628	0.025	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.6203	0.227	3	110.6203	0.052	3	110.5628	0.025	6	110.5628	0.025	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.5380	0.000	1	110.5380	0.000	1	110.5628	0.025	6	110.5628	0.025	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:2:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.6180	0.020	2	110.6180	0.000	2	110.6180	0.000	2	110.3388	0.106	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:2:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]O[5]H)	110.0595	0.077	2	110.0595	0.006	2	110.0595	0.006	2	110.3388	0.106	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:3:2:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5,6]O[5]H)	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[3,5]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,3x6]C[3,5]C[5,6])(O[5]C[5])(H)2	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,3x6]C[3,5]C[5,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.2515	0.016	2	110.2515	0.000	2	110.2515	0.000	2	110.5035	0.085	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]2)(O[5]C[5])(H)2	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]2)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.7555	0.046	2	110.7555	0.002	2	110.7555	0.002	2	110.5035	0.085	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]HH)(Br)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]HH)(Br){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.8055	0.122	2	110.8055	0.015	2	110.8055	0.015	2	111.1404	3.694	25	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2{1|H<1>,1|P<4>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]CH)(C[5]O[5]HH)(H){1|S<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]O[5]H)	111.5021	2.399	14	111.5021	5.757	14	111.5021	5.757	14	111.1404	3.694	25	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.1510	0.052	3	110.1510	0.003	3	110.1510	0.003	3	111.1404	3.694	25	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br){1|C<3>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	110.1825	0.005	2	110.1825	0.000	2	110.1825	0.000	2	111.1404	3.694	25	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl){1|C<3>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	111.0495	0.357	2	111.0495	0.128	2	111.0495	0.128	2	111.1404	3.694	25	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5,6]S[5]H)	111.4760	2.568	2	111.4760	6.596	2	111.4760	6.596	2	111.1404	3.694	25	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	111.3690	0.049	2	111.2943	0.009	4	111.2943	0.009	4	111.0811	4.226	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]O[5]H)	111.2195	0.033	2	111.2943	0.009	4	111.2943	0.009	4	111.0811	4.226	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6])	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.8680	3.120	4	110.8680	9.731	4	110.8680	9.731	4	111.0811	4.226	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]H)	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	110.4650	0.087	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]H)	110.3310	0.025	2	110.3310	0.001	2	110.3310	0.001	2	110.4650	0.087	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H){1|Si<4>,1|O<2>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	110.7300	0.013	2	110.7300	0.000	2	110.7300	0.000	2	110.4650	0.087	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.1470	0.013	2	110.1470	0.000	2	110.1470	0.000	2	110.4650	0.087	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.6020	0.045	2	110.6020	0.002	2	110.6020	0.002	2	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(C[5]O[5]HH)(CH3)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(C[5]O[5]HH)(CH3){2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5,6]O[5]H)	110.0803	0.073	3	110.0803	0.005	3	110.0803	0.005	3	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.0180	0.000	1	110.6143	1.343	9	110.6143	1.343	9	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.1490	0.013	2	110.6143	1.343	9	110.6143	1.343	9	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){2|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.8688	1.383	6	110.6143	1.343	9	110.6143	1.343	9	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.1484	0.144	5	110.1484	0.021	5	110.1484	0.021	5	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.1910	0.000	1	110.1910	0.000	1	110.5154	0.224	8	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){10|H<1>,1|C<4>}	H(C[5]C[5,5,6]O[5]H)	110.5617	0.491	7	110.5617	0.241	7	110.5154	0.224	8	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	110.0918	0.038	4	110.0918	0.001	4	110.0918	0.001	4	110.3937	0.467	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:2:1:	4:3:4:4:	4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO)	H(C[5]C[5,5,6]O[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]O[5]O)	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H)	H(C[5]C[5,5,6]O[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5,6]O[5]O)	111.5240	0.000	1	111.5240	0.000	1	113.8380	3.106	4	114.2158	3.043	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	H(C[5]C[5,5,6]O[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	H(C[5]C[5,5,6]O[5]O)	114.0855	0.729	2	114.6093	1.089	3	113.8380	3.106	4	114.2158	3.043	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	H(C[5]C[5,5,6]O[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<1>,2|C<3>}	H(C[5]C[5,5,6]O[5]O)	115.6570	0.000	1	114.6093	1.089	3	113.8380	3.106	4	114.2158	3.043	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:P[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H)	H(C[5]C[5,5,6]O[5]O)	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]O[5]O)	115.7270	0.000	1	115.7270	0.000	1	115.7270	0.000	1	114.2158	3.043	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5,6]-4:O[5]-2:N[6a]-3:H-1:	C[3x5,6]-4:C[5]-4:O[5,6]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H)	H(C[5]C[5,5,6]N[6a]O[5])	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]N[6a]O[5])	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:C-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]O[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]O[5]C)	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:4:1:	4:2:4:3:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O)	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O){1|O<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5,6]O[5]C)	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:4:1:	4:3:4:2:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6,6]-4:C[5]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H)	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6])	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H){1|C<3>,2|O<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	H(C[5]C[5,5,6]O[5]C)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5,6]O[5]C)	108.5190	0.000	1	108.5190	0.000	1	108.3223	0.584	3	108.3223	0.584	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5,6]O[5]C)	108.9690	0.000	1	108.9690	0.000	1	108.3223	0.584	3	108.3223	0.584	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]CH)(H){2|Cl<1>,1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5,5,6]O[5]C)	107.4790	0.000	1	107.4790	0.000	1	108.3223	0.584	3	108.3223	0.584	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:4:1:	4:4:4:2:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6])	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,2|C<3>,8|H<1>}	H(C[5]C[5,5,6]O[5]C)	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	108.4445	1.004	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:2:4:1:	4:4:4:2:	4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,5,6]O[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,9|H<1>}	H(C[5]C[5,5,6]O[5]C)	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	108.4445	1.004	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.5165	0.023	2	110.5165	0.001	2	110.5165	0.001	2	110.5165	0.001	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	113.6220	0.863	2	113.6220	0.744	2	113.6220	0.744	2	113.6220	0.744	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)2	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.2373	0.058	4	111.2373	0.003	4	111.2373	0.003	4	111.4453	2.622	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.6475	3.695	2	111.6475	13.650	2	111.6475	13.650	2	111.4453	2.622	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.7600	3.202	2	112.7600	10.251	2	111.8263	4.580	4	111.4453	2.622	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]O[5]O)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8925	0.018	2	110.8925	0.000	2	111.8263	4.580	4	111.4453	2.622	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.8970	0.016	2	110.8970	0.000	2	110.8970	0.000	2	111.4453	2.622	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0743	1.906	4	111.0617	1.818	7	111.0828	1.365	9	111.0828	1.365	9	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0450	0.074	3	111.0617	1.818	7	111.0828	1.365	9	111.0828	1.365	9	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]O)(H)2	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1565	0.033	2	111.1565	0.001	2	111.0828	1.365	9	111.0828	1.365	9	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:3:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.9225	0.074	4	110.9225	0.005	4	110.9225	0.005	4	110.9225	0.005	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(COO)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]N[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	111.2270	0.028	2	111.2270	0.001	2	111.2270	0.001	2	111.2270	0.001	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8215	0.009	2	110.6945	0.043	8	110.6945	0.043	8	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3600	0.023	2	110.6945	0.043	8	110.6945	0.043	8	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7955	0.008	2	110.6945	0.043	8	110.6945	0.043	8	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8010	0.007	2	110.6945	0.043	8	110.6945	0.043	8	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.5010	0.030	2	110.5803	0.009	4	110.5803	0.009	4	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6595	0.025	2	110.5803	0.009	4	110.5803	0.009	4	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4640	0.032	3	110.4640	0.001	3	110.4640	0.001	3	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4105	0.035	2	110.4105	0.001	2	110.4683	0.013	10	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3265	0.049	2	110.4390	0.012	6	110.4683	0.013	10	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4952	0.084	4	110.4390	0.012	6	110.4683	0.013	10	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]O[5]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6140	0.014	2	110.6140	0.000	2	110.4683	0.013	10	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8980	0.016	2	110.8980	0.000	2	110.8980	0.000	2	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0105	0.013	2	111.0105	0.000	2	111.0105	0.000	2	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.9995	0.012	2	110.9995	0.000	2	110.9995	0.000	2	110.6377	0.051	31	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9645	0.021	2	110.9707	0.000	3	110.9707	0.000	3	110.9707	0.000	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2{3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9830	0.000	1	110.9707	0.000	3	110.9707	0.000	3	110.9707	0.000	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.2180	0.501	2	112.2180	0.251	2	112.2180	0.251	2	112.2180	0.251	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7170	0.074	5	110.7170	0.005	5	110.7170	0.005	5	110.7170	0.005	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8450	0.011	2	110.8450	0.000	2	110.9161	0.928	14	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3105	1.298	2	110.3105	1.684	2	110.9161	0.928	14	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){4|Cl<1>,1|H<1>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.5330	0.024	2	110.5330	0.001	2	110.9161	0.928	14	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9225	0.018	2	110.9225	0.000	2	110.9161	0.928	14	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.9300	0.550	2	112.9300	0.303	2	110.9161	0.928	14	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4125	0.018	2	110.4125	0.000	2	110.9161	0.928	14	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4590	0.033	2	110.4590	0.001	2	110.9161	0.928	14	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.1210	2.340	3	112.1210	5.477	3	112.1210	5.477	3	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]N[5,6]H)	111.7625	0.053	2	111.7625	0.003	2	111.5373	0.069	4	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]N[5,6]H)	111.3120	0.020	2	111.3120	0.000	2	111.5373	0.069	4	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,5,6]N[5,6]H)	110.7035	0.077	2	110.7035	0.006	2	110.7035	0.006	2	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Br)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Br){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	111.0703	0.172	4	111.0703	0.030	4	111.0703	0.030	4	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[3,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	111.0840	1.895	2	111.0840	3.591	2	110.8561	0.550	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.7193	0.151	4	110.7802	0.024	6	110.8561	0.550	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(Cl){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.9020	0.075	2	110.7802	0.024	6	110.8561	0.550	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	111.1737	0.475	4	111.1737	0.226	4	111.3524	0.137	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	111.5310	0.086	4	111.5310	0.007	4	111.3524	0.137	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.7325	0.023	2	110.7325	0.001	2	110.8042	0.066	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.9985	0.181	4	110.9985	0.033	4	110.8042	0.066	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.4875	0.026	2	110.4875	0.001	2	110.8042	0.066	8	111.0809	0.699	51	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6])	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6]){1|C<4>,6|C<3>}	H(C[5]C[5,5,6]C[5,6a]H)	111.0721	0.266	7	111.0721	0.071	7	111.0987	0.057	9	110.9518	0.266	20	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6])	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,6a]H)	111.1915	0.076	2	111.1915	0.006	2	111.0987	0.057	9	110.9518	0.266	20	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.4025	0.025	2	111.0992	0.089	9	111.0992	0.089	9	110.9518	0.266	20	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.3127	0.014	3	111.0992	0.089	9	111.0992	0.089	9	110.9518	0.266	20	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7875	0.028	4	111.0992	0.089	9	111.0992	0.089	9	110.9518	0.266	20	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2{1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	109.6275	0.005	2	109.6275	0.000	2	109.6275	0.000	2	110.9518	0.266	20	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.4175	0.015	2	111.4175	0.000	2	110.8647	0.094	10	110.8026	0.098	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8200	0.044	4	110.8200	0.002	4	110.8647	0.094	10	110.8026	0.098	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|O<2>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[5]C[5,5,6]C[5]H)	110.6330	0.050	4	110.6330	0.002	4	110.8647	0.094	10	110.8026	0.098	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.4920	0.024	2	110.4920	0.001	2	110.4920	0.001	2	110.8026	0.098	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,6a]H)	111.0005	0.040	2	111.0005	0.002	2	111.0005	0.002	2	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	113.5855	2.590	2	113.5855	6.709	2	113.5855	6.709	2	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5950	0.000	1	110.5950	0.000	1	110.9995	2.924	16	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	114.6560	3.513	2	114.6560	12.341	2	110.9995	2.924	16	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3561	0.066	11	110.4681	0.078	13	110.9995	2.924	16	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0840	0.020	2	110.4681	0.078	13	110.9995	2.924	16	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3152	0.073	4	110.3152	0.005	4	110.3152	0.005	4	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.4590	0.010	2	111.1795	0.097	6	111.2953	0.530	15	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0397	0.289	4	111.1795	0.097	6	111.2953	0.530	15	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|O<2>,1|S<4>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1510	0.010	2	111.1510	0.000	2	111.2953	0.530	15	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8645	0.052	2	110.8645	0.003	2	111.2953	0.530	15	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.3035	0.036	2	111.3035	0.001	2	111.2953	0.530	15	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.3130	2.079	2	112.3130	4.322	2	111.2953	0.530	15	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0880	0.000	1	111.0880	0.000	1	111.2953	0.530	15	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(CH3)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]N[5,6]H)	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2{5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH){4|C<4>,8|H<1>}	H(C[5]C[5,5,6]N[5]H)	110.4550	0.023	2	110.4550	0.001	2	110.4550	0.001	2	111.1415	1.813	42	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]O)	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	110.3431	1.063	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	H(C[5]C[5,5,6]N[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]N[5]O)	111.4675	0.158	2	111.4675	0.025	2	110.4632	1.155	6	110.3431	1.063	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	H(C[5]C[5,5,6]N[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]N[5]O)	110.4243	0.272	3	110.4243	0.074	3	110.4632	1.155	6	110.3431	1.063	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H)	H(C[5]C[5,5,6]N[5]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]N[5]O)	108.5710	0.000	1	108.5710	0.000	1	110.4632	1.155	6	110.3431	1.063	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-4:C[5,6]-4:O[5,5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5,5])(C[5,6]C[5,6]C[6])(O[5]C[5])(H)	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	H(C[5]C[5,5,6]C[5,6]O[5])	C[5](C[5,5,6]C[5,6]2O[5,5])(C[5,6]C[5,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5,6]O[5])	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	110.0390	2.590	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5])	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H){1|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5,6]C[5]O)	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	110.0390	2.590	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H){1|Si<4>,1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]O)	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	108.7042	0.370	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]O)	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	108.7042	0.370	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[6a]O[5])	108.0170	0.000	1	108.0170	0.000	1	108.4812	0.258	4	108.7042	0.370	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[6a]O[5])	108.9170	0.116	2	108.6360	0.244	3	108.4812	0.258	4	108.7042	0.370	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[6a]O[5])	108.0740	0.000	1	108.6360	0.244	3	108.4812	0.258	4	108.7042	0.370	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,5,6]C[5]O)	107.3810	0.000	1	107.3810	0.000	1	107.3810	0.000	1	108.2328	0.800	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H){4|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]O)	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	108.2328	0.800	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]O)	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	108.2328	0.800	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[6a]O[5])	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.2328	0.800	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[6a]O[5])	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.2328	0.800	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[6a]N[5])	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.5523	0.634	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H)	H(C[5]C[5,5,6]N[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5,6]N[5]C)	110.4130	0.000	1	110.4130	0.000	1	109.6320	1.220	2	109.5523	0.634	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H)	H(C[5]C[5,5,6]N[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CH)(H){2|C<3>,6|H<1>}	H(C[5]C[5,5,6]N[5]C)	108.8510	0.000	1	108.8510	0.000	1	109.6320	1.220	2	109.5523	0.634	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5,6]C[6a]N[5])	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	109.5523	0.634	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[6a]N[5]H)(COO)	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[6a]N[5]H)(COO){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[6a]N[5])	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6a]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5,6a]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(COO)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5,6a]C)	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	108.3318	1.921	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.4400	1.258	3	108.4400	1.583	3	108.1103	1.490	4	108.3318	1.921	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.1210	0.000	1	107.1210	0.000	1	108.1103	1.490	4	108.3318	1.921	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	108.3318	1.921	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H){3|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]C)	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	109.1140	0.573	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.3860	0.000	1	108.3860	0.000	1	108.9219	0.324	7	109.1140	0.573	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]C)	109.4690	0.000	1	109.0603	0.125	3	108.9219	0.324	7	109.1140	0.573	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.8560	0.010	2	109.0603	0.125	3	108.9219	0.324	7	109.1140	0.573	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.1150	0.000	1	108.1150	0.000	1	108.9219	0.324	7	109.1140	0.573	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	109.7500	0.000	1	109.7500	0.000	1	108.9219	0.324	7	109.1140	0.573	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]C)	109.0210	0.000	1	109.0210	0.000	1	108.9219	0.324	7	109.1140	0.573	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]C)	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.0645	0.235	2	107.0645	0.055	2	107.0645	0.055	2	107.5959	0.543	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	107.0983	0.309	3	107.0983	0.096	3	107.7730	0.599	6	107.5959	0.543	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	108.6280	0.000	1	108.6280	0.000	1	107.7730	0.599	6	107.5959	0.543	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	108.4680	0.000	1	108.3575	0.024	2	107.7730	0.599	6	107.5959	0.543	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	108.2470	0.000	1	108.3575	0.024	2	107.7730	0.599	6	107.5959	0.543	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	107.9740	2.328	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]C[5,5,6]N[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H){3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH){2|C<4>,7|H<1>}	H(C[5]C[5,5,6]N[5]C)	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	107.9740	2.328	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	2:3:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:2:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:O[5,6]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2{2|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9105	0.008	2	110.9105	0.000	2	110.9105	0.000	2	110.9105	0.000	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1415	0.021	2	111.1415	0.000	2	111.0215	0.019	4	111.0215	0.019	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9015	0.009	2	110.9015	0.000	2	111.0215	0.019	4	111.0215	0.019	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2{2|H<1>,9|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.2205	0.009	2	110.2205	0.000	2	110.2205	0.000	2	110.2205	0.000	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.8860	0.061	2	110.8860	0.004	2	110.8860	0.004	2	110.5610	3.035	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.2360	2.946	2	110.2360	8.678	2	110.2360	8.678	2	110.5610	3.035	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.4345	0.035	2	110.4345	0.001	2	110.4345	0.001	2	110.8988	1.774	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4285	0.054	2	110.4285	0.003	2	110.8161	0.133	7	110.8988	1.774	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1933	0.026	3	110.9712	0.094	5	110.8161	0.133	7	110.8988	1.774	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6380	0.064	2	110.9712	0.094	5	110.8161	0.133	7	110.8988	1.774	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.8988	1.774	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[3x5,6]-3:C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.8988	1.774	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.9535	4.195	2	111.9535	17.600	2	111.9535	17.600	2	110.8988	1.774	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[3x5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7200	0.011	2	110.7200	0.000	2	110.7200	0.000	2	110.7200	0.000	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.1175	0.013	2	110.1175	0.000	2	110.1175	0.000	2	110.7031	0.089	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7560	0.111	4	110.7560	0.012	4	110.7560	0.012	4	110.7031	0.089	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8630	0.138	6	110.8630	0.019	6	110.8630	0.019	6	110.7031	0.089	12	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7660	0.336	4	110.7660	0.113	4	110.7660	0.113	4	110.8166	0.062	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8840	0.081	3	110.8840	0.006	3	110.8840	0.006	3	110.8166	0.062	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	110.0475	0.886	2	110.0475	0.785	2	110.0475	0.785	2	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.5040	1.458	2	112.5040	2.126	2	112.5040	2.126	2	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH){1|C<3>,5|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6250	1.687	4	110.6250	2.847	4	110.6250	2.847	4	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3,6]-4:C[5,5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH){1|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3880	2.451	2	110.3880	6.007	2	110.3880	6.007	2	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	113.2805	1.701	2	113.2805	2.892	2	111.0779	4.474	7	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8005	0.012	2	110.6657	0.055	3	111.0779	4.474	7	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3960	0.000	1	110.6657	0.055	3	111.0779	4.474	7	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	109.4935	2.934	2	109.4935	8.607	2	111.0779	4.474	7	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3560	0.037	2	110.3560	0.001	2	110.6582	0.046	8	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6790	0.030	4	110.6790	0.001	4	110.6582	0.046	8	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9190	0.025	2	110.9190	0.001	2	110.6582	0.046	8	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7480	0.011	2	110.7480	0.000	2	110.7480	0.000	2	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9415	0.011	2	110.5132	0.529	9	110.5132	0.529	9	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,2|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3909	0.792	7	110.5132	0.529	9	110.5132	0.529	9	110.7661	1.603	37	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2{1|O<2>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.3955	0.049	4	110.3955	0.002	4	110.6158	0.058	9	110.6158	0.058	9	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2{2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8090	0.006	2	110.8090	0.000	2	110.6158	0.058	9	110.6158	0.058	9	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0430	0.000	1	110.7807	0.052	3	110.6158	0.058	9	110.6158	0.058	9	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6495	0.018	2	110.7807	0.052	3	110.6158	0.058	9	110.6158	0.058	9	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5470	0.000	1	111.0839	0.070	13	111.0839	0.070	13	110.8411	0.976	23	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1124	0.237	10	111.0839	0.070	13	111.0839	0.070	13	110.8411	0.976	23	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.2100	0.013	2	111.0839	0.070	13	111.0839	0.070	13	110.8411	0.976	23	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.8740	1.407	2	111.8740	1.980	2	111.8740	1.980	2	110.8411	0.976	23	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0580	0.004	2	110.1884	1.763	8	110.1884	1.763	8	110.8411	0.976	23	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	109.8985	1.437	6	110.1884	1.763	8	110.1884	1.763	8	110.8411	0.976	23	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5,5]H)	110.8390	0.016	2	110.8390	0.000	2	110.8390	0.000	2	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0400	0.013	2	111.0400	0.000	2	110.7492	0.632	6	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.1870	1.488	2	110.1870	2.213	2	110.7492	0.632	6	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0205	0.012	2	111.0205	0.000	2	110.7492	0.632	6	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9595	0.011	2	110.9595	0.000	2	110.5949	0.051	10	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]CC)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[5]C[5]CC)(C[5]C[5]HH){3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4225	0.019	2	110.4225	0.000	2	110.5949	0.051	10	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4720	0.007	2	110.5945	0.020	4	110.5949	0.051	10	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7170	0.008	2	110.5945	0.020	4	110.5949	0.051	10	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4035	0.015	2	110.4035	0.000	2	110.5949	0.051	10	110.6734	0.222	18	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:2:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH){4|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0245	0.021	2	111.0245	0.000	2	111.0245	0.000	2	111.0245	0.000	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	111.1905	3.286	2	110.8320	6.417	4	110.8320	6.417	4	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	110.4735	2.818	2	110.8320	6.417	4	110.8320	6.417	4	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0635	0.009	2	111.0635	0.000	2	111.0635	0.000	2	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.3275	0.011	2	111.3150	0.001	4	111.3150	0.001	4	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.3025	0.029	2	111.3150	0.001	4	111.3150	0.001	4	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9600	0.016	2	110.9600	0.000	2	111.1481	0.018	38	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.2080	0.058	8	111.2080	0.003	8	111.1481	0.018	38	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1130	0.024	2	111.1445	0.020	28	111.1481	0.018	38	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.1685	0.009	2	111.1445	0.020	28	111.1481	0.018	38	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1693	0.193	11	111.1445	0.020	28	111.1481	0.018	38	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1185	0.118	12	111.1445	0.020	28	111.1481	0.018	38	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1980	0.000	1	111.1445	0.020	28	111.1481	0.018	38	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9525	0.081	4	110.9525	0.007	4	110.8945	0.012	6	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7785	0.011	2	110.7785	0.000	2	110.8945	0.012	6	111.1058	0.392	54	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7130	0.014	2	110.7130	0.000	2	110.7130	0.000	2	111.6358	8.238	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.0973	3.589	4	112.0973	12.878	4	112.0973	12.878	4	111.6358	8.238	6	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	108.4085	0.974	2	108.4085	0.948	2	110.6170	0.515	24	110.6762	0.478	28	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Br<1>,2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7710	0.031	4	110.7710	0.001	4	110.6170	0.515	24	110.6762	0.478	28	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Cl<1>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,4|H<1>,4|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.8715	0.018	4	110.8715	0.000	4	110.6170	0.515	24	110.6762	0.478	28	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Cl<1>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9135	0.015	8	110.9135	0.000	8	110.6170	0.515	24	110.6762	0.478	28	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Cl<1>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6857	0.106	6	110.6857	0.011	6	110.6170	0.515	24	110.6762	0.478	28	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.3680	0.017	2	111.3680	0.000	2	111.3680	0.000	2	110.6762	0.478	28	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6945	0.008	2	110.6945	0.000	2	110.6945	0.000	2	110.6762	0.478	28	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1587	0.222	3	111.1587	0.049	3	111.1587	0.049	3	110.7397	0.074	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5105	0.029	2	110.6230	0.017	4	110.6230	0.017	4	110.7397	0.074	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7355	0.012	2	110.6230	0.017	4	110.6230	0.017	4	110.7397	0.074	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6010	0.065	2	110.6010	0.004	2	110.6076	0.013	5	110.7397	0.074	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6120	0.154	3	110.6120	0.024	3	110.6076	0.013	5	110.7397	0.074	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.7397	0.074	13	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5]C[5]C)(H)2{2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	110.0330	4.968	2	110.0330	24.682	2	110.0330	24.682	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3){1|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.0470	0.040	2	110.0470	0.002	2	110.0470	0.002	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	109.7020	2.137	2	109.7020	4.566	2	109.7020	4.566	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7097	0.084	4	110.7097	0.007	4	110.7097	0.007	4	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8830	0.067	3	110.8830	0.004	3	110.8830	0.004	3	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7300	0.058	2	110.7300	0.003	2	110.7300	0.003	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){2|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	109.8030	2.653	2	109.8030	7.039	2	109.8030	7.039	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5315	0.042	2	110.2832	0.034	8	110.2832	0.034	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.1630	0.027	2	110.2832	0.034	8	110.2832	0.034	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3475	0.035	2	110.2832	0.034	8	110.2832	0.034	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.0910	0.008	2	110.2832	0.034	8	110.2832	0.034	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1315	0.021	2	111.1315	0.000	2	111.1315	0.000	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.2088	0.047	4	111.2088	0.002	4	111.2088	0.002	4	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1335	0.006	2	111.1335	0.000	2	111.1335	0.000	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4197	0.162	4	110.4197	0.026	4	110.4197	0.026	4	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7365	0.019	2	110.7365	0.000	2	110.5961	1.377	17	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{6|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7326	1.749	8	110.7326	3.058	8	110.5961	1.377	17	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3913	0.282	3	110.4126	0.041	5	110.5961	1.377	17	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4445	0.011	2	110.4126	0.041	5	110.5961	1.377	17	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3680	0.011	2	110.3680	0.000	2	110.5961	1.377	17	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3815	1.156	2	110.3815	1.337	2	110.3815	1.337	2	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH){3|H<1>,4|C<3>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6240	0.010	2	110.6240	0.000	2	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6180	0.000	1	110.6180	0.000	1	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.5228	0.138	8	110.5888	0.072	26	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.5519	0.201	7	110.5888	0.072	26	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4887	0.253	7	110.5888	0.072	26	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7240	0.376	2	110.5888	0.072	26	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.1980	0.035	2	110.5888	0.072	26	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4395	0.077	2	110.4395	0.006	2	110.5824	0.062	31	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.2090	0.182	2	110.2090	0.033	2	110.4725	0.102	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9610	0.027	2	110.9610	0.001	2	110.4725	0.102	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3600	0.069	4	110.3600	0.005	4	110.4725	0.102	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2{1|C<4>,1|S<1>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5915	0.061	4	110.5915	0.004	4	110.5466	0.004	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2{1|C<4>,1|S<1>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5018	0.034	4	110.5018	0.001	4	110.5466	0.004	8	110.5489	0.692	103	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.2405	0.012	2	111.2405	0.000	2	111.2405	0.000	2	111.1054	0.025	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{3|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH){10|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.0153	0.142	3	111.0153	0.020	3	111.0153	0.020	3	111.1054	0.025	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6330	0.000	1	110.6330	0.000	1	111.0719	0.601	124	111.0464	0.627	128	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4940	0.016	2	111.0755	0.605	123	111.0719	0.601	124	111.0464	0.627	128	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0847	1.814	19	111.0755	0.605	123	111.0719	0.601	124	111.0464	0.627	128	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.2010	0.007	2	111.0755	0.605	123	111.0719	0.601	124	111.0464	0.627	128	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0828	0.373	100	111.0755	0.605	123	111.0719	0.601	124	111.0464	0.627	128	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.2550	1.012	4	110.2550	1.024	4	110.2550	1.024	4	111.0464	0.627	128	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H)	H(C[5]C[5,5,6]C[3,5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2{2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[3,5]H)	110.2100	0.035	2	110.2100	0.001	2	110.2100	0.001	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[3,5,5,6]-4:C[5,5,3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	111.0653	0.050	4	111.0653	0.002	4	111.0653	0.002	4	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[5,5]O[5]2)(H)2	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[5,5]O[5]2)(H)2{1|H<1>,1|O<2>,7|C<4>}	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	111.6755	0.023	2	111.6755	0.001	2	111.6755	0.001	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)2(C[5]C[5,5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	110.6340	0.011	2	110.6340	0.000	2	110.6340	0.000	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5807	0.084	4	110.5807	0.007	4	110.8673	0.723	10	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1160	2.432	2	111.1160	5.917	2	110.8673	0.723	10	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5]C)(C[5]C[5]HH)(H){3|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0295	0.065	4	111.0295	0.004	4	110.8673	0.723	10	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.2032	1.921	4	110.2032	3.689	4	110.4068	1.154	12	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)(H){1|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3495	0.118	2	110.3495	0.014	2	110.4068	1.154	12	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.2530	0.228	4	110.2530	0.052	4	110.4068	1.154	12	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]N[5])(C[5,6]C[3x5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1785	0.015	2	111.1785	0.000	2	110.4068	1.154	12	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[4x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1060	0.438	2	111.1060	0.192	2	111.1060	0.192	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]O[5])(C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6335	0.359	2	110.6335	0.129	2	110.6335	0.129	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8195	0.015	2	110.8195	0.000	2	110.8195	0.000	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[3x5,6]C[5,5,6]2Cl)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6910	0.054	4	110.6910	0.003	4	110.6910	0.003	4	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4710	0.017	4	110.4710	0.000	4	110.6287	0.020	15	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,5,6]C[5]H)	110.5485	0.015	2	110.5485	0.000	2	110.6287	0.020	15	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6190	0.009	4	110.6190	0.000	4	110.6287	0.020	15	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]PdH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]PdH)(H)2{3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|Pd<5>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7946	0.088	5	110.7946	0.008	5	110.6287	0.020	15	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2{1|C<3>,2|O<2>,7|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8654	0.141	7	110.8654	0.020	7	110.8654	0.020	7	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4987	0.064	3	110.5362	0.005	5	110.5362	0.005	5	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5925	0.016	2	110.5362	0.005	5	110.5362	0.005	5	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]ClH)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9328	0.082	6	110.9328	0.007	6	110.9328	0.007	6	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8590	0.000	1	110.8590	0.000	1	110.7603	0.011	3	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,1|S<2>,2|H<1>,3|C<4>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7110	0.085	2	110.7110	0.007	2	110.7603	0.011	3	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:S[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5]OO)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br){1|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	110.2590	0.102	2	110.2590	0.010	2	110.2590	0.010	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:S[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5]OO)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl){1|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	110.4920	0.017	2	110.4920	0.000	2	110.4920	0.000	2	110.7108	0.319	82	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[3,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[3,6]C[3,6]C[3]C)(C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[3,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[3,6]C[3,6]C[3]C)(C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0280	0.006	2	111.0280	0.000	2	111.0280	0.000	2	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC){3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	114.3023	1.497	4	114.3023	2.242	4	114.3023	2.242	4	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	109.3760	1.947	2	109.9620	2.926	3	109.9620	2.926	3	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|O<2>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1340	0.000	1	109.9620	2.926	3	109.9620	2.926	3	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2{2|O<2>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH){3|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.2675	0.013	2	111.2675	0.000	2	111.2675	0.000	2	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1820	0.006	2	111.1820	0.000	2	111.1820	0.000	2	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<4>,2|C<3>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.5760	0.037	2	110.8436	1.245	8	110.8436	1.245	8	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.1422	0.041	4	110.8436	1.245	8	110.8436	1.245	8	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5140	2.827	2	110.8436	1.245	8	110.8436	1.245	8	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9940	0.016	2	110.9940	0.000	2	110.9940	0.000	2	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9250	0.139	12	110.9241	0.085	14	110.9241	0.085	14	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|O<1>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9190	0.945	2	110.9241	0.085	14	110.9241	0.085	14	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8690	0.006	4	110.8690	0.000	4	110.8690	0.000	4	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4610	0.017	2	110.4610	0.000	2	110.7470	0.061	6	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0100	0.041	2	111.0100	0.002	2	110.7470	0.061	6	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7700	0.013	2	110.7700	0.000	2	110.7470	0.061	6	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2{2|O<2>,3|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5]){4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.6923	0.100	8	110.6923	0.010	8	110.6923	0.010	8	111.0767	1.315	55	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[5]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	110.6887	0.043	3	110.6887	0.002	3	110.6887	0.002	3	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5,6]H)	110.6355	0.033	2	110.6355	0.001	2	110.6355	0.001	2	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.5365	0.026	2	110.7530	0.064	4	110.7530	0.064	4	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.9695	0.049	2	110.7530	0.064	4	110.7530	0.064	4	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[3,5,6,6]C[5,6,6]C[3,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5,5,6](C[3,5,6,6]C[5,6,6]C[3,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O){4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7423	0.029	3	110.7423	0.001	3	110.7423	0.001	3	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7952	0.036	4	110.7952	0.001	4	110.7952	0.001	4	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<1>,6|C<4>}	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){12|H<1>,1|C<4>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.0563	0.145	4	110.2004	0.120	5	110.2004	0.120	5	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,8|C<4>}	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){12|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7770	0.000	1	110.2004	0.120	5	110.2004	0.120	5	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[4,5,5,6]-4:C[3,6]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2	C[5,5,6](C[4,5,5,6]C[4,5,5]C[4,6]C[5])(C[3,6]C[3,6]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2{1|H<1>,1|O<2>,7|C<4>}	C[5,5,6](C[4,5,5,6]C[4,5,5]C[4,6]C[5])(C[3,6]C[3,6]O[3]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7105	0.008	2	110.7105	0.000	2	110.7105	0.000	2	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0537	0.081	3	111.0537	0.007	3	111.0537	0.007	3	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C){10|H<1>,1|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9188	0.049	4	110.9188	0.002	4	110.9188	0.002	4	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6378	0.080	6	110.6378	0.006	6	110.6378	0.006	6	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7245	0.011	2	110.7245	0.000	2	110.6812	0.005	6	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.6595	0.085	4	110.6595	0.007	4	110.6812	0.005	6	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8530	0.008	2	110.8530	0.000	2	110.7915	0.016	11	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<2>,2|O<2>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0310	0.000	1	111.0310	0.000	1	110.7915	0.016	11	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6972	0.055	6	110.7463	0.011	8	110.7915	0.016	11	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8935	0.037	2	110.7463	0.011	8	110.7915	0.016	11	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|Si<4>,1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O){10|H<1>,1|Si<4>,1|C<2>,1|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.5503	0.886	8	110.5503	0.785	8	110.5503	0.785	8	110.6912	0.141	62	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,5|H<1>,7|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	110.0350	0.000	1	110.0350	0.000	1	110.0703	0.001	4	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{2|C<3>,5|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	110.0820	0.034	3	110.0820	0.001	3	110.0703	0.001	4	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.8415	0.057	2	110.8415	0.003	2	110.8415	0.003	2	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.5067	0.014	6	110.4832	0.002	8	110.4832	0.002	8	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.4130	0.017	2	110.4832	0.002	8	110.4832	0.002	8	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8735	0.016	2	110.9897	0.540	9	110.9897	0.540	9	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8980	0.000	1	110.9897	0.540	9	110.9897	0.540	9	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){2|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0437	0.924	6	110.9897	0.540	9	110.9897	0.540	9	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]HH)(PC[6a]2Pt)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]HH)(PC[6a]2Pt){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6283	0.095	4	110.6283	0.009	4	110.6283	0.009	4	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|S<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7083	0.120	3	110.7083	0.014	3	110.7083	0.014	3	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3865	0.043	2	110.3865	0.002	2	110.3865	0.002	2	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6275	0.045	2	110.6275	0.002	2	110.5702	2.386	6	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5415	1.993	4	110.5415	3.973	4	110.5702	2.386	6	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0080	0.021	2	111.0080	0.000	2	110.7362	0.099	4	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4645	0.013	2	110.4645	0.000	2	110.7362	0.099	4	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){11|H<1>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.7880	0.095	4	110.7880	0.009	4	110.9061	0.021	8	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9805	0.009	2	110.9805	0.000	2	110.9061	0.021	8	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0680	0.027	2	111.0680	0.001	2	110.9061	0.021	8	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2{1|C<4>,4|O<2>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7217	0.075	3	110.7217	0.006	3	110.8010	0.017	7	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2{1|C<4>,4|O<2>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8605	0.138	4	110.8605	0.019	4	110.8010	0.017	7	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.3205	0.035	2	110.1993	0.020	4	110.2944	0.060	5	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.0780	0.008	2	110.1993	0.020	4	110.2944	0.060	5	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.6750	0.000	1	110.6750	0.000	1	110.2944	0.060	5	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8450	0.054	2	110.8450	0.003	2	110.8450	0.003	2	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]CF)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]CF)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|F<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4920	0.006	2	110.4920	0.000	2	110.7609	1.578	20	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6790	0.033	2	110.6790	0.001	2	110.7609	1.578	20	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH){2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0090	0.037	2	111.0090	0.001	2	110.7609	1.578	20	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.2690	0.028	2	111.2690	0.001	2	110.7609	1.578	20	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{1|C<2>,2|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0938	3.061	4	110.6933	2.648	12	110.7609	1.578	20	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{3|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4931	0.091	8	110.6933	2.648	12	110.7609	1.578	20	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:N[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){10|H<1>,1|C<4>}	H(C[5]C[5,5,6]N[5]H)	110.5880	0.158	7	110.5880	0.025	7	110.5880	0.025	7	110.6798	0.575	91	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	3:2:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]O)	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO)	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,6,6]O)	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,5,6]C[5]O)	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.6415	0.168	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]O)	112.1730	0.000	1	112.1730	0.000	1	111.7977	0.106	3	111.6415	0.168	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]O)	111.6110	0.000	1	111.6100	0.000	2	111.7977	0.106	3	111.6415	0.168	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[5]C[5,5,6]C[5]O)	111.6090	0.000	1	111.6100	0.000	2	111.7977	0.106	3	111.6415	0.168	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5]-4:S-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	H(C[5]C[5,5,6]C[5]S)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]S)	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H)	H(C[5]C[5,5,6]C[5,5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H){1|N<2>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H){1|C<4>,1|N<2>,5|H<1>}	H(C[5]C[5,5,6]C[5,5]O)	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	108.8156	0.005	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H)	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,5,6]C[5]O)	108.8200	0.080	4	108.8200	0.006	4	108.8200	0.006	4	108.8156	0.005	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H){1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]O)	110.1840	0.000	1	110.1840	0.000	1	108.3660	2.653	3	108.7219	2.017	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H){1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]O)	107.8740	0.000	1	107.8740	0.000	1	108.3660	2.653	3	108.7219	2.017	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H){1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]O)	107.0400	0.000	1	107.0400	0.000	1	108.3660	2.653	3	108.7219	2.017	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5])	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]O)	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	108.7219	2.017	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	H(C[5]C[5,5,6]C[5,6,6]O)	108.2190	0.000	1	108.3640	0.042	2	108.2790	0.043	3	108.7219	2.017	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|N<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	H(C[5]C[5,5,6]C[5,6,6]O)	108.5090	0.000	1	108.3640	0.042	2	108.2790	0.043	3	108.7219	2.017	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){1|O<2>,5|H<1>,7|C<4>}	H(C[5]C[5,5,6]C[5,6,6]O)	108.1090	0.000	1	108.1090	0.000	1	108.2790	0.043	3	108.7219	2.017	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[4]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	H(C[5]C[5,5,6]C[4]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[4]O[5])	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.3365	0.209	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[5,6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C)	H(C[5]C[5,5,6]C[5]O[5])	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]O[5])	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.3365	0.209	2	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5,6]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,6]O)	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5,6]C[5]O)	110.0605	0.695	2	110.0605	0.483	2	110.0605	0.483	2	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]O)	110.3770	0.000	1	110.3770	0.000	1	110.7460	0.272	2	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]O)	111.1150	0.000	1	111.1150	0.000	1	110.7460	0.272	2	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){11|H<1>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]C[5]O)	109.5955	0.330	2	109.5955	0.109	2	109.8877	1.723	4	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	H(C[5]C[5,5,6]C[5]O)	111.7160	0.000	1	111.7160	0.000	1	109.8877	1.723	4	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]O)	108.6440	0.000	1	108.6440	0.000	1	109.8877	1.723	4	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,5,6]C[5]O)	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	110.0233	0.905	10	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH){1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.7860	0.290	3	107.7860	0.084	3	107.7860	0.084	3	107.7860	0.084	3	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(CNO)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	H(C[5]C[5,5,6]2C)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(CNO)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]2C)	108.9585	0.155	2	108.9585	0.024	2	108.5045	0.482	6	108.2239	0.953	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	H(C[5]C[5,5,6]2C)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]2C)	108.2170	0.000	1	108.2775	0.589	4	108.5045	0.482	6	108.2239	0.953	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	H(C[5]C[5,5,6]2C)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]2C)	108.2977	0.939	3	108.2775	0.589	4	108.5045	0.482	6	108.2239	0.953	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H)	H(C[5]C[5,5,6]N[5,6,6]C[6a])	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]N[5,6,6]C[6a])	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	108.2239	0.953	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<4>,5|C<3>}	H(C[5]C[5,5,6]C[5,5]C[6a])	106.9920	0.000	1	106.9920	0.000	1	107.3548	0.171	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>,6|C<3>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.1190	0.000	1	107.5870	0.438	2	107.3548	0.171	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>,6|C<3>}	H(C[5]C[5,5,6]C[5,5]C[6a])	108.0550	0.000	1	107.5870	0.438	2	107.3548	0.171	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>,6|C<3>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.3070	0.000	1	107.3040	0.000	2	107.3548	0.171	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>,6|C<3>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.3010	0.000	1	107.3040	0.000	2	107.3548	0.171	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.6720	0.000	1	107.6720	0.000	1	108.0523	0.110	3	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H){1|O<1>,2|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.2425	0.054	2	108.2425	0.003	2	108.0523	0.110	3	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	107.4620	0.273	2	107.4620	0.074	2	107.2498	0.124	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	107.2810	0.305	2	107.1083	0.136	3	107.2498	0.124	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	106.7630	0.000	1	107.1083	0.136	3	107.2498	0.124	5	107.5144	0.231	14	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(CNO)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]2C)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(CNO)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]2C)	108.9020	0.126	2	108.9020	0.016	2	108.4723	0.453	6	108.6786	0.675	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]2C)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|F<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]2C)	108.1360	0.000	1	108.2575	0.565	4	108.4723	0.453	6	108.6786	0.675	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]2C)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]2C)	107.8995	0.851	2	108.2575	0.565	4	108.4723	0.453	6	108.6786	0.675	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]2C)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(COO)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]2C)	109.0950	0.000	1	108.2575	0.565	4	108.4723	0.453	6	108.6786	0.675	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]C)	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	108.6786	0.675	7	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]C)	97.5665	0.000	1	97.5665	0.000	1	97.5665	0.000	1	97.5665	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]C)	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.5528	1.578	4	106.5528	2.491	4	106.5528	2.491	4	107.0096	2.912	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]2)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]2)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	107.0096	2.912	5	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(SN[6]OO)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H)	H(C[5]C[5,5,6]2S)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(SN[6]OO)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]2S)	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	108.5740	0.576	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]CH)(H){2|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5,6]C[5]C)	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	108.5740	0.576	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:S[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H)	H(C[5]C[5,5,6]S[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]S[5]CH)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,5,6]S[5]C)	108.4565	0.412	2	108.4565	0.170	2	108.4565	0.170	2	108.5740	0.576	4	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,8|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.0050	0.000	1	108.0050	0.000	1	107.7527	0.556	7	107.9331	0.737	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.3230	0.000	1	106.3230	0.000	1	107.7527	0.556	7	107.9331	0.737	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.4120	0.000	1	107.4120	0.000	1	107.7527	0.556	7	107.9331	0.737	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.2683	0.395	3	108.2683	0.156	3	107.7527	0.556	7	107.9331	0.737	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.7240	0.000	1	107.7240	0.000	1	107.7527	0.556	7	107.9331	0.737	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]2H)(C[5]O[5]O)	H(C[5]C[5,5,6]C[5]2)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]2H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,5,6]C[5]2)	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	107.9331	0.737	8	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(SN[6]OO)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH)	H(C[5]C[5,5,6]2S)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C[5])(SN[6]OO)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]2S)	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H){3|C<4>,4|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]C)	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(S[5]C[5]OO)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H){2|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(S[5]C[5]OO){3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.4430	0.000	1	106.4430	0.000	1	106.4078	1.384	12	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]C)	102.8940	0.000	1	102.8940	0.000	1	106.4078	1.384	12	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.0510	0.000	1	106.5730	0.457	2	106.4078	1.384	12	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.0950	0.000	1	106.5730	0.457	2	106.4078	1.384	12	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.7420	0.000	1	106.8012	0.162	8	106.4078	1.384	12	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.8097	0.433	7	106.8012	0.162	8	106.4078	1.384	12	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.1120	0.385	2	106.1120	0.148	2	106.1120	0.148	2	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.2210	0.000	1	106.8145	6.714	8	106.8145	6.714	8	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]C)	110.2335	0.392	2	106.8145	6.714	8	106.8145	6.714	8	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]C)	104.3220	0.000	1	106.8145	6.714	8	106.8145	6.714	8	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]C)	104.0020	0.000	1	106.8145	6.714	8	106.8145	6.714	8	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5]C)	106.5013	2.086	3	106.8145	6.714	8	106.8145	6.714	8	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	107.3920	0.000	1	107.3920	0.000	1	107.7270	0.224	2	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]C)	108.0620	0.000	1	108.0620	0.000	1	107.7270	0.224	2	106.7760	2.987	27	110.4945	1.963	1249	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	112.0440	2.817	2	112.0440	7.936	2	112.0440	7.936	2	112.0440	7.936	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:2:2:	4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-3:C[5]-4:S[5]-2:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2{1|S<2>,4|C<3>}	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2{2|H<1>,4|S<2>}	H(C[5]C[5,5]2H)	111.5350	0.017	2	111.5350	0.000	2	111.5350	0.000	2	111.5350	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	107.9730	0.000	1	107.9730	0.000	1	107.2514	0.475	5	109.1886	6.276	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	107.0710	0.645	4	107.0710	0.416	4	107.2514	0.475	5	109.1886	6.276	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O){5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.6100	1.425	4	111.6100	2.030	4	111.6100	2.030	4	109.1886	6.276	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	112.5210	1.090	2	112.5210	1.189	2	112.5210	1.189	2	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]C[5,5]H)	111.2135	0.006	2	111.2135	0.000	2	111.2065	0.007	6	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]C[5,5]H)	111.1095	0.009	2	111.2030	0.012	4	111.2065	0.007	6	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]C[5,5]H)	111.2965	0.009	2	111.2030	0.012	4	111.2065	0.007	6	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0985	0.035	2	111.0985	0.001	2	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,5]H)	111.1347	0.061	3	111.1347	0.004	3	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.1365	0.047	4	111.1365	0.002	4	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.1315	0.110	4	111.2017	0.019	6	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.3420	0.010	2	111.2017	0.019	6	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.3365	0.011	2	111.3365	0.000	2	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0141	0.204	8	111.0141	0.042	8	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.1575	0.045	2	111.1575	0.002	2	111.1281	0.024	27	111.2211	0.161	35	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO){2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2025	0.006	2	111.2025	0.000	2	111.2025	0.000	2	111.2025	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	3:4:4:4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2670	0.010	2	111.2670	0.000	2	111.2670	0.000	2	111.2670	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:2:4:2:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,5]Br)	110.4985	0.421	2	110.4985	0.177	2	110.4985	0.177	2	110.4985	0.177	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	111.2990	0.000	1	111.4532	0.179	4	111.4532	0.179	4	111.4532	0.179	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	111.5047	0.503	3	111.4532	0.179	4	111.4532	0.179	4	111.4532	0.179	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:2:2:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5])	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5]){3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.7665	0.019	2	110.7665	0.000	2	110.7665	0.000	2	110.7665	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O){3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.6680	0.000	1	110.6680	0.000	1	110.7670	0.020	2	110.9007	0.020	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8660	0.000	1	110.8660	0.000	1	110.7670	0.020	2	110.9007	0.020	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8460	0.000	1	110.8770	0.006	5	110.8770	0.006	5	110.9007	0.020	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8847	0.086	4	110.8770	0.006	5	110.8770	0.006	5	110.9007	0.020	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:3:3:	4:	N[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C)	H(C[5]C[5,5]N[5,5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2{1|N<3>,3|C<4>,4|C<3>}	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C){1|N<3>,3|C<3>}	H(C[5]C[5,5]N[5,5]H)	111.0935	0.009	2	111.0935	0.000	2	111.0935	0.000	2	110.9007	0.020	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8230	0.057	2	110.8230	0.003	2	110.8230	0.003	2	110.8393	0.002	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|N<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S){3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8393	0.002	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8125	0.032	2	110.7752	0.005	6	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.7565	0.077	4	110.7752	0.005	6	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,5]H)	110.5203	0.632	3	110.5203	0.399	3	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,5]H)	110.9687	0.083	6	110.9687	0.007	6	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.6310	0.157	4	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9133	0.097	3	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9850	0.137	4	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9110	0.068	4	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9220	0.011	2	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2285	0.021	2	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<6>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	109.6020	4.513	4	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<4>,1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9006	0.115	8	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.1515	0.071	2	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0545	0.022	2	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0250	0.013	2	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<4>,1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8162	0.054	4	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<8>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.3280	0.875	2	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8580	0.154	4	110.8208	1.517	47	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9390	0.000	1	110.9390	0.000	1	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9167	0.075	4	110.9167	0.006	4	110.8240	1.078	67	110.8240	1.078	67	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8560	0.040	2	110.8560	0.002	2	111.2023	1.473	10	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0410	0.008	2	111.0410	0.000	2	111.2023	1.473	10	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.0510	0.007	2	111.3715	2.558	6	111.2023	1.473	10	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.5317	2.040	4	111.3715	2.558	6	111.2023	1.473	10	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9300	0.000	1	110.9300	0.000	1	110.8220	0.009	9	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.6725	0.012	2	110.6725	0.000	2	110.8220	0.009	9	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8955	0.028	2	110.8955	0.001	2	110.8220	0.009	9	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H){1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8355	0.023	2	110.8355	0.001	2	110.8220	0.009	9	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8305	0.032	2	110.8305	0.001	2	110.8220	0.009	9	111.0222	0.778	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:2:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a])	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a]){4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9635	0.203	4	110.9635	0.041	4	110.9635	0.041	4	110.9635	0.041	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.6270	1.952	2	110.6270	3.809	2	110.7992	0.977	5	110.9960	0.241	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)2(C[5]O[5]O)2	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)2(C[5]O[5]O)2{2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9140	0.011	3	110.9140	0.000	3	110.7992	0.977	5	110.9960	0.241	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.7518	0.026	4	110.7518	0.001	4	110.7518	0.001	4	110.9960	0.241	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0528	0.276	4	111.0528	0.076	4	111.1178	0.056	6	110.9960	0.241	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O){6|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2480	0.011	2	111.2480	0.000	2	111.1178	0.056	6	110.9960	0.241	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,6]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]N[5,6]H)	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]N[5,6]H)	111.1496	0.237	8	111.1496	0.056	8	111.1496	0.056	8	110.9960	0.241	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	112.5990	0.099	2	112.5990	0.010	2	111.7790	0.901	4	111.7790	0.901	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9590	0.049	2	110.9590	0.002	2	111.7790	0.901	4	111.7790	0.901	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	H(C[5]C[5,5]2H)	110.8169	0.275	8	110.8169	0.076	8	110.8169	0.076	8	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	111.4100	0.000	1	111.4100	0.000	1	111.2170	0.028	3	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	111.1205	0.019	2	111.1205	0.000	2	111.2170	0.028	3	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8155	0.020	4	110.8155	0.000	4	110.8155	0.000	4	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	112.0880	2.800	2	112.0880	7.841	2	111.1455	0.710	16	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.7675	0.016	2	110.9025	0.025	4	111.1455	0.710	16	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0375	0.036	2	110.9025	0.025	4	111.1455	0.710	16	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.7610	0.007	2	110.7610	0.000	2	111.1455	0.710	16	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.7430	0.025	2	110.7430	0.001	2	111.1455	0.710	16	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2557	0.070	6	111.2557	0.005	6	111.1455	0.710	16	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8970	0.045	2	110.8970	0.002	2	110.8970	0.002	2	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]N[5,5a]C[5,5]H)	110.8335	0.037	2	110.8335	0.001	2	111.5970	1.004	6	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5,5]H)	111.1010	0.007	2	111.1010	0.000	2	111.5970	1.004	6	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]N[5,5a]C[5,5]H)	112.8565	0.436	2	112.8565	0.190	2	111.5970	1.004	6	111.1021	0.484	40	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:2:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9553	0.133	3	110.9553	0.018	3	110.9553	0.018	3	110.9553	0.018	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,5a]C[5,5]H)	111.3127	0.032	4	111.3127	0.001	4	111.3127	0.001	4	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9030	1.182	2	110.9030	1.398	2	110.9030	1.398	2	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9675	0.005	2	110.9675	0.000	2	110.9472	0.010	31	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9560	0.026	3	111.0090	0.006	5	110.9472	0.010	31	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0885	0.011	2	111.0090	0.006	5	110.9472	0.010	31	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.1420	0.000	1	111.1420	0.000	1	110.9472	0.010	31	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9499	0.086	15	110.9499	0.007	15	110.9472	0.010	31	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8741	0.111	8	110.8741	0.012	8	110.9472	0.010	31	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6040	0.027	2	110.6040	0.001	2	111.0150	0.226	4	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	C[5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4260	0.027	2	111.4260	0.001	2	111.0150	0.226	4	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO){5|C<3>}	H(C[5]N[5,5a]C[5,5]H)	111.8130	0.045	2	111.8130	0.002	2	111.3795	0.251	4	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:3:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5]N[5,5a]C[5,5]H)	110.9460	0.027	2	110.9460	0.001	2	111.3795	0.251	4	111.0222	0.095	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)2(C[5]N[5,5]HH)2	H(C[5]C[5,5]2H)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]HH)2(C[5]N[5,5]HH)2{2|C<3>,2|N<3>}	H(C[5]C[5,5]2H)	111.2660	0.010	2	111.2660	0.000	2	111.2660	0.000	2	110.9587	0.049	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8580	0.037	2	110.8580	0.001	2	110.8580	0.001	2	110.9587	0.049	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)2(C[5]N[5,5]HH)2	H(C[5]C[5,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(H)2{2|C<3>,2|N<3>,7|H<1>}	C[5,5](C[5]C[5,5]HH)2(C[5]N[5,5]HH)2{2|C<3>,2|N<3>}	H(C[5]C[5,5]N[5,5]H)	111.0060	0.023	2	111.0060	0.001	2	111.0060	0.001	2	110.9587	0.049	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]N[5,6]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>}	H(C[5]C[5,5]N[5,6]H)	110.7050	0.004	2	110.7050	0.000	2	110.7050	0.000	2	110.9587	0.049	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	3:4:2:1:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H){1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H){1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]O)	112.5850	1.261	2	112.5850	1.591	2	112.5850	1.591	2	112.5850	1.591	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:N-2:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H)	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]N)	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.1490	0.764	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H)	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]O)	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	110.1490	0.764	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.7875	0.643	2	108.7875	0.413	2	108.7875	0.413	2	108.9097	0.251	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5a]O[5])	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	108.9097	0.251	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]O)	110.7027	0.735	3	110.7027	0.540	3	110.7027	0.540	3	110.7027	0.540	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]O)	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	107.7467	0.952	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,5]O)	107.2960	0.827	2	107.2960	0.684	2	107.2960	0.684	2	107.7467	0.952	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]O)	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5,5]O)	110.4670	0.081	2	110.4670	0.006	2	110.6537	0.108	3	110.6537	0.108	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]O)	111.0270	0.000	1	111.0270	0.000	1	110.6537	0.108	3	110.6537	0.108	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]O[5])	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]O)	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	3:4:4:4:	4:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(NHS)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(NHS)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]N)	109.1313	0.575	3	109.1313	0.330	3	109.1313	0.330	3	109.1313	0.330	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.1770	0.000	1	108.7830	0.409	4	108.7830	0.409	4	108.7830	0.409	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.3115	0.310	2	108.7830	0.409	4	108.7830	0.409	4	108.7830	0.409	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|N<2>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){1|N<2>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.3320	0.000	1	108.7830	0.409	4	108.7830	0.409	4	108.7830	0.409	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H)	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,6a]C[5,5]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H){1|O<2>,1|S<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,1|S<2>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C[5a])	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	109.3730	0.090	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H){1|O<2>,1|S<4>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.3730	0.090	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:3:2:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O){7|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:3:3:2:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){6|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]N)	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	109.5222	1.298	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	H(C[5]C[5,5]N[5,5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	H(C[5]C[5,5]N[5,5]C)	110.5855	0.312	2	110.5855	0.097	2	110.3650	0.194	3	109.5222	1.298	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H)	H(C[5]C[5,5]N[5,5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	H(C[5]C[5,5]N[5,5]C)	109.9240	0.000	1	109.9240	0.000	1	110.3650	0.194	3	109.5222	1.298	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[6a])	108.8010	0.000	1	108.2330	0.645	2	108.2330	0.645	2	109.5222	1.298	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.6650	0.000	1	108.2330	0.645	2	108.2330	0.645	2	109.5222	1.298	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:2:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5]){7|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.6790	0.000	1	107.6790	0.000	1	107.9914	0.248	9	108.0179	0.227	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2{1|C<4>,7|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2458	0.415	4	108.0305	0.267	8	107.9914	0.248	9	108.0179	0.227	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2{1|C<4>,7|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.8152	0.573	4	108.0305	0.267	8	107.9914	0.248	9	108.0179	0.227	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,8|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|O<2>,8|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	108.0179	0.227	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5a]C[5,5]C[6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,5]C[6a])	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.3760	1.992	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H)	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]C[5])	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	109.3760	1.992	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	H(C[5]C[5,6a]C[5,5]N)	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	109.3760	1.992	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	3:4:2:2:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(O[5]C[5])	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	3:4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	3:4:3:4:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	3:4:4:4:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]C)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:2:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H)	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]C)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:2:4:4:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:O[5]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H)	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]C)	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:3:3:3:	4:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H)	H(C[5]N[5,5a]C[5,5]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>}	H(C[5]N[5,5a]C[5,5]C)	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	109.6182	0.409	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H)	H(C[5]N[5,6a]C[5,5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5]N[5,6a]C[5,5]C)	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.6182	0.409	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:2:1:	4:	N[5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5a]C[5])	109.2755	0.602	2	109.2755	0.362	2	109.2755	0.362	2	109.6182	0.409	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:2:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO){1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5]C)	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	106.5530	0.000	1	106.5530	0.000	1	107.5457	0.247	8	108.0028	1.121	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C)	107.6876	0.317	7	107.6876	0.100	7	107.5457	0.247	8	108.0028	1.121	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C)	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	108.0028	1.121	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H)	H(C[5]N[5,5a]C[5,5]C)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5,5]C)	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	108.0028	1.121	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:3:2:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]C)	108.4910	0.000	2	108.4910	0.000	2	108.4910	0.000	2	108.4910	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:3:3:	4:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.9680	0.032	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:3:3:	4:	N[5,5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H)	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2	H(C[5]C[5,5]N[5,5]C)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>,3|O<1>}	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]N[5,5]C)	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	107.9680	0.032	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:4:3:	4:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(C[5]C[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	109.4940	6.567	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	109.4940	6.567	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.8385	0.244	4	110.7460	0.056	6	110.7460	0.056	6	110.7484	0.040	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]H)	110.5610	0.008	2	110.7460	0.056	6	110.7460	0.056	6	110.7484	0.040	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<1>}	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.7555	0.023	2	110.7555	0.001	2	110.7555	0.001	2	110.7484	0.040	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.5255	0.013	2	110.5255	0.000	2	110.5255	0.000	2	110.3978	0.022	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2{5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5]){3|H<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	110.2700	0.013	2	110.2700	0.000	2	110.2700	0.000	2	110.3978	0.022	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	110.8250	0.000	1	110.8547	0.001	3	110.8547	0.001	3	111.4637	1.681	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]O[5]H)	110.8695	0.022	2	110.8547	0.001	3	110.8547	0.001	3	111.4637	1.681	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	111.8577	0.791	8	111.8577	0.625	8	111.7833	2.008	12	111.4637	1.681	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	111.6345	2.421	4	111.6345	5.860	4	111.7833	2.008	12	111.4637	1.681	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:3:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]S[5]H)	110.4595	0.668	2	110.4595	0.447	2	110.4595	0.447	2	111.4637	1.681	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:3:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2{2|O<2>,4|C<3>}	H(C[5]C[5,5]O[5]H)	110.1375	0.110	4	110.1375	0.012	4	110.1375	0.012	4	110.1375	0.012	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:2:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2{2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]S[5]H)	110.4848	0.271	4	110.4848	0.074	4	110.4848	0.074	4	110.4848	0.074	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	111.2915	0.019	2	111.2477	0.003	4	111.0653	0.082	6	110.9608	0.526	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	111.2040	0.025	2	111.2477	0.003	4	111.0653	0.082	6	110.9608	0.526	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.7005	0.006	2	110.7005	0.000	2	111.0653	0.082	6	110.9608	0.526	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5,5]S[5]H)	110.1410	0.048	2	110.1410	0.002	2	110.8562	1.050	6	110.9608	0.526	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]S[5]H)	112.0290	1.027	2	112.0290	1.054	2	110.8562	1.050	6	110.9608	0.526	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H){1|H<1>,1|S<1>,2|C<4>}	H(C[5]C[5,5]S[5]H)	110.3985	0.025	2	110.3985	0.001	2	110.8562	1.050	6	110.9608	0.526	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]O[5]H)	111.3415	0.023	2	111.3415	0.001	2	111.3415	0.001	2	111.3415	0.001	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	111.3315	4.260	2	111.3315	18.150	2	111.3315	18.150	2	111.3315	18.150	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:3:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.7130	0.028	2	110.7130	0.001	2	110.7130	0.001	2	110.7130	0.001	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]H)	111.2080	0.007	2	111.2080	0.000	2	110.9878	0.020	10	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.8945	0.015	2	110.8945	0.000	2	110.9878	0.020	10	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	110.8495	0.077	2	110.8495	0.006	2	110.9878	0.020	10	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	111.0590	0.033	2	111.0590	0.001	2	110.9878	0.020	10	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.9280	0.017	2	110.9280	0.000	2	110.9878	0.020	10	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.9810	0.052	2	110.9810	0.003	2	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.6890	0.000	1	110.6890	0.000	1	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	111.2450	0.000	1	110.9391	0.053	7	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]H)	111.0085	0.099	4	110.9391	0.053	7	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.6475	0.057	2	110.9391	0.053	7	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.6880	0.038	2	110.5299	0.589	14	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	110.9205	1.015	2	110.5299	0.589	14	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	109.1945	0.506	2	110.5299	0.589	14	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	111.1695	0.036	2	110.5299	0.589	14	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.4860	0.709	4	110.5299	0.589	14	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.7645	0.029	2	110.5299	0.589	14	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	109.0260	0.008	2	109.0260	0.000	2	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2{1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.4337	0.175	7	110.4337	0.030	7	110.5373	0.448	33	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]S[5]H)	110.4610	0.000	1	110.4610	0.000	1	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]S[5]H)	110.3731	0.226	12	110.3753	0.043	14	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,5]S[5]H)	110.3885	0.043	2	110.3753	0.043	14	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]S[5]H)	110.5800	0.025	2	110.5800	0.001	2	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]S[5]H)	110.1025	0.015	2	110.1025	0.000	2	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]S[5]H)	110.5040	0.008	3	110.4952	0.028	10	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]S[5]H)	110.3538	0.060	4	110.4952	0.028	10	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]S[5]H)	110.6750	0.182	3	110.4952	0.028	10	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]S[5]H)	110.6330	0.000	1	110.6330	0.000	1	110.4222	0.042	30	110.5517	0.252	73	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.5628	1.020	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.9925	0.013	2	110.9925	0.000	2	110.9995	0.000	4	110.5628	1.020	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	111.0065	0.032	2	111.0065	0.001	2	110.9995	0.000	4	110.5628	1.020	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:3:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]S[5]H)	110.2632	1.334	6	110.2632	1.779	6	110.2632	1.779	6	110.5628	1.020	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3){2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.4970	0.031	2	110.4970	0.001	2	110.4970	0.001	2	110.9528	2.003	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	111.2447	1.711	11	111.2447	2.929	11	111.2447	2.929	11	110.9528	2.003	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(O[5]C[5,5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]2)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(C[5]O[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,5]O[5]H)	110.3777	0.170	4	110.3777	0.029	4	110.3777	0.029	4	110.9528	2.003	17	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|Br<1>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.7676	0.117	8	110.7676	0.014	8	110.6757	0.028	18	110.6757	0.028	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.2875	0.008	2	110.2875	0.000	2	110.6757	0.028	18	110.6757	0.028	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,1|S<2>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.6830	0.072	2	110.6830	0.005	2	110.6757	0.028	18	110.6757	0.028	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	110.7115	0.036	2	110.7115	0.001	2	110.6757	0.028	18	110.6757	0.028	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<3>}	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.7070	0.007	2	110.7070	0.000	2	110.6757	0.028	18	110.6757	0.028	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:2:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.6215	0.006	2	110.6215	0.000	2	110.6757	0.028	18	110.6757	0.028	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.7930	0.006	2	110.7930	0.000	2	110.7930	0.000	2	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	H(C[5]C[5,5]O[5]H)	111.0348	0.054	4	111.0348	0.003	4	111.0348	0.003	4	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,5]O[5]H)	110.7635	0.005	2	110.7635	0.000	2	110.5645	0.283	4	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.3655	0.831	2	110.3655	0.690	2	110.5645	0.283	4	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.8675	0.005	2	110.8675	0.000	2	110.8675	0.000	2	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]S[5]H)	110.9963	0.021	6	110.9963	0.000	6	110.9963	0.000	6	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]S[5]H)	110.4825	0.128	4	110.4825	0.016	4	110.6345	0.050	12	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]S[5]H)	110.6990	0.054	2	110.8160	0.015	6	110.6345	0.050	12	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]S[5]H)	110.8745	0.105	4	110.8160	0.015	6	110.6345	0.050	12	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]S[5]H)	110.3940	0.137	2	110.3940	0.019	2	110.6345	0.050	12	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]S[5]H)	110.5635	0.029	2	110.5635	0.001	2	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]S[5]H)	110.3055	0.049	2	110.3055	0.002	2	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]S[5]H)	110.7038	0.333	15	110.6762	0.103	17	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]S[5]H)	110.4695	0.018	2	110.6762	0.103	17	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]S[5]H)	111.0455	0.016	2	111.0455	0.000	2	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]S[5]H)	110.8175	0.123	20	110.8002	0.021	21	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]S[5]H)	110.4550	0.000	1	110.8002	0.021	21	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]S[5]H)	110.4405	0.016	2	110.4405	0.000	2	110.7176	0.067	46	110.7411	0.073	76	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.6855	0.026	2	110.6855	0.001	2	110.6855	0.001	2	110.6855	0.001	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	110.8723	0.824	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	111.0865	0.099	4	111.0865	0.010	4	111.0628	1.546	6	110.8723	0.824	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	111.0155	2.774	2	111.0155	7.695	2	111.0628	1.546	6	110.8723	0.824	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:3:4:3:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(S[5]C[5])(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]S[5]H)	110.6080	0.009	4	110.6080	0.000	4	110.6080	0.000	4	110.8723	0.824	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){3|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	110.2755	0.021	4	110.2755	0.000	4	110.2755	0.000	4	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]O[5]H)	110.6005	0.035	2	110.6005	0.001	2	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(O[5]N[5,5])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	111.0405	0.616	2	111.0405	0.379	2	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]HH)(O[5]N[5,6])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	110.1970	0.000	1	110.1970	0.000	1	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.8260	0.075	2	110.8260	0.006	2	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	110.4030	0.087	4	110.4030	0.008	4	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	110.5420	0.000	1	110.5420	0.000	1	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	110.1955	1.583	2	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	110.9042	1.570	4	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]H)	110.7305	0.008	2	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.8917	0.026	3	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]H)	111.8602	2.502	4	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	110.2675	0.026	2	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	110.5013	0.066	3	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	110.6104	1.159	8	110.8038	1.649	28	110.7448	1.181	40	110.7021	1.090	44	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	H(C[5]C[5,5]O[5]H)	112.7820	1.922	2	112.7820	3.694	2	112.7820	3.694	2	111.0666	3.188	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	111.0228	1.574	4	111.0228	2.477	4	111.0228	2.477	4	111.0666	3.188	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(N[5]C[5])(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	H(C[5]C[5,5]O[5]H)	109.4390	0.034	2	109.4390	0.001	2	109.4390	0.001	2	111.0666	3.188	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.7220	0.017	2	110.7220	0.000	2	110.6582	0.204	6	110.6582	0.204	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(O[5]C[5])(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(O[5]C[5])(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.4595	0.021	2	110.4595	0.000	2	110.6582	0.204	6	110.6582	0.204	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(COO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(COO){1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	110.7930	0.946	2	110.7930	0.895	2	110.6582	0.204	6	110.6582	0.204	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.3605	0.018	2	110.3605	0.000	2	110.4822	0.020	4	110.8781	5.395	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5])(H)2{1|O<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.6040	0.024	2	110.6040	0.001	2	110.4822	0.020	4	110.8781	5.395	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	109.1080	0.655	2	109.1080	0.429	2	109.3255	1.673	6	110.8781	5.395	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	109.4120	2.135	2	109.4342	2.599	4	109.3255	1.673	6	110.8781	5.395	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	109.4565	1.798	2	109.4342	2.599	4	109.3255	1.673	6	110.8781	5.395	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5])(H)2{1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3){1|S<1>,2|H<1>}	H(C[5]C[5,5]S[5]H)	112.2404	2.761	8	112.2404	7.621	8	112.2404	7.621	8	110.8781	5.395	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.5262	0.200	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.5705	0.062	2	110.5705	0.004	2	110.6865	0.019	4	110.5262	0.200	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]H)	110.8025	0.016	2	110.8025	0.000	2	110.6865	0.019	4	110.5262	0.200	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]S[5]H)	110.3707	0.586	10	110.3816	0.281	12	110.3910	0.239	14	110.5262	0.200	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]S[5]H)	110.4360	0.030	2	110.3816	0.281	12	110.3910	0.239	14	110.5262	0.200	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]S[5]H)	110.4475	0.037	2	110.4475	0.001	2	110.3910	0.239	14	110.5262	0.200	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]S[5]H)	110.9887	0.093	3	110.9887	0.009	3	110.9887	0.009	3	110.5262	0.200	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	111.0736	0.526	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,5|C<4>}	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	110.9720	0.006	2	110.9720	0.000	2	110.9720	0.000	2	111.0736	0.526	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	111.1365	1.752	2	111.1365	3.068	2	111.1383	0.825	6	111.0736	0.526	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	111.1393	0.593	4	111.1393	0.352	4	111.1383	0.825	6	111.0736	0.526	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(H)2	C[5,5](C[5]O[5]CH)(C[5]O[5]HH)(N[5]C[5]H)2	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5](C[5]O[5]CH)(C[5]O[5]HH)(N[5]C[5]H)2{2|S<1>}	H(C[5]C[5,5]O[5]H)	110.7350	0.007	2	110.7350	0.000	2	110.7350	0.000	2	110.7178	0.174	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:3:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(S[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(S[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]S[5]H)	111.0465	0.013	2	111.0465	0.000	2	111.0465	0.000	2	110.7178	0.174	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:3:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]C)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO){1|C<3>,5|H<1>}	H(C[5]C[5,5]S[5]H)	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	110.7178	0.174	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:3:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]N[5]H)	110.3905	0.006	2	110.3905	0.000	2	110.4878	0.022	6	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H){1|O<1>}	H(C[5]C[5,5]N[5]H)	110.6765	0.036	2	110.6765	0.001	2	110.4878	0.022	6	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]N[5]H)	110.3965	0.008	2	110.3965	0.000	2	110.4878	0.022	6	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5,5,6]O[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.1190	0.034	2	110.1190	0.001	2	110.1190	0.001	2	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.9271	0.112	8	110.7653	0.073	12	110.7653	0.073	12	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2{2|H<1>,4|C<4>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.4417	0.164	4	110.7653	0.073	12	110.7653	0.073	12	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H){2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	111.2685	0.575	2	111.2685	0.330	2	111.2685	0.330	2	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	113.2007	1.625	4	113.2007	2.640	4	113.2007	2.640	4	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.7390	0.007	2	110.7390	0.000	2	110.5527	0.049	6	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.3925	0.347	2	110.3925	0.121	2	110.5527	0.049	6	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.5265	0.037	2	110.5265	0.001	2	110.5527	0.049	6	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.4693	0.050	3	110.3576	0.025	5	110.3576	0.025	5	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.1900	0.016	2	110.3576	0.025	5	110.3576	0.025	5	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	111.7657	2.296	4	111.7657	5.272	4	111.3107	2.967	7	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.8780	0.000	1	110.8780	0.000	1	111.3107	2.967	7	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.6170	0.075	2	110.6170	0.006	2	111.3107	2.967	7	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]O[5]H)	111.9573	3.789	4	111.9573	14.356	4	111.1202	4.513	12	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5]O[5]H)	110.3972	0.253	4	110.3972	0.064	4	111.1202	4.513	12	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.4080	0.025	2	110.4080	0.001	2	111.1202	4.513	12	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	111.6040	0.038	2	111.6040	0.001	2	111.1202	4.513	12	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<2>,1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	110.0360	0.008	2	110.2204	0.096	7	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	110.2942	0.346	5	110.2204	0.096	7	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.2225	0.024	4	110.2225	0.001	4	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.4460	0.037	2	110.4460	0.001	2	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|Cl<1>,1|C<3>,4|O<2>}	H(C[5]C[5,5]O[5]H)	111.0705	0.015	2	110.8290	0.078	4	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	110.5875	0.016	2	110.8290	0.078	4	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H){6|H<1>}	H(C[5]C[5,5]O[5]H)	110.6900	0.133	4	110.6900	0.018	4	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)2(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.3273	0.032	3	110.3273	0.001	3	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.5425	0.012	2	110.5425	0.000	2	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	H(C[5]C[5,5]O[5]H)	110.5500	0.000	1	110.5500	0.000	1	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	110.7630	0.020	2	110.7630	0.000	2	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.5903	0.045	3	110.5903	0.002	3	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]H)	110.7485	0.033	2	110.7485	0.001	2	110.4945	0.082	34	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|N<2>,2|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.5790	0.057	2	110.5790	0.003	2	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.9515	0.018	4	110.9515	0.000	4	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.3827	0.065	3	110.3827	0.004	3	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.3760	0.013	2	110.5763	0.046	58	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.7630	0.000	1	110.5763	0.046	58	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.5396	0.174	47	110.5763	0.046	58	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){2|C<3>,2|O<1>}	H(C[5]C[5,5]O[5]H)	110.3865	0.013	2	110.5763	0.046	58	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	110.9628	0.121	6	110.5763	0.046	58	110.5901	0.050	67	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:1:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]S[5]H)	110.2950	0.014	2	110.2950	0.000	2	110.2950	0.000	2	110.7066	0.744	159	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]H)	112.1620	0.841	2	112.1620	0.708	2	112.1620	0.708	2	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]H)	110.1890	0.000	1	110.3774	0.013	5	110.3774	0.013	5	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,5|C<4>,7|H<1>}	H(C[5]C[5,5]O[5]H)	110.4245	0.054	4	110.3774	0.013	5	110.3774	0.013	5	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.8930	0.030	2	110.8930	0.001	2	110.5520	0.156	4	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.2110	0.034	2	110.2110	0.001	2	110.5520	0.156	4	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]HH)(O[5]C[5,5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]HH)(O[5]C[5,5]){2|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	111.0080	0.000	1	111.0080	0.000	1	110.9457	0.785	7	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	111.0730	1.369	2	110.9353	0.941	6	110.9457	0.785	7	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	110.8665	0.962	4	110.9353	0.941	6	110.9457	0.785	7	110.8355	0.642	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:3:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]N[5])(O[5]C[5])(H)2	C[5,5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]N[5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	110.3610	0.023	2	110.3610	0.001	2	110.3610	0.001	2	110.4788	0.011	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:3:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]2)(S[5]C[5])(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[3,5]C[5]2)(S[5]C[5])(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	H(C[5]C[5,5]S[5]H)	110.5915	0.008	2	110.5915	0.000	2	110.5915	0.000	2	110.4788	0.011	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:3:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]2)(S[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]S[5]H)	110.4840	0.023	2	110.4840	0.001	2	110.4840	0.001	2	110.4788	0.011	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)2(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]N[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)2(CH3){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.2285	0.016	2	110.2285	0.000	2	110.2285	0.000	2	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.2550	0.000	1	110.2910	0.004	4	110.2910	0.004	4	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	110.3030	0.073	3	110.2910	0.004	4	110.2910	0.004	4	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.5935	0.008	2	110.4920	0.014	4	110.7283	0.096	7	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.3905	0.009	2	110.4920	0.014	4	110.7283	0.096	7	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	110.9570	0.000	1	111.0433	0.006	3	110.7283	0.096	7	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<2>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	111.0865	0.039	2	111.0433	0.006	3	110.7283	0.096	7	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5,5](N[5,5]C[5]2Fe)(C[5]O[5]HH)2(CHHO)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2Fe)(C[5]O[5]HH)2(CHHO){2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	110.8323	0.261	7	110.8323	0.068	7	110.8323	0.068	7	110.6273	0.112	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	3:4:4:4:	4:	C[5,5]-4:S[5]-2:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H)	H(C[5]C[5,5]S[5]2)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]S[5]2)	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:2:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,5]O[5]O)	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]O[5]O)	110.2710	0.110	2	110.4436	0.254	16	110.5008	0.216	21	110.5008	0.216	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]O)	110.4682	0.536	14	110.4436	0.254	16	110.5008	0.216	21	110.5008	0.216	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5]C[5,5]O[5]O)	110.6240	0.030	2	110.6240	0.001	2	110.5008	0.216	21	110.5008	0.216	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]O)	110.4210	0.000	1	110.4210	0.000	1	110.5008	0.216	21	110.5008	0.216	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	110.6070	0.000	1	110.6070	0.000	1	110.5008	0.216	21	110.5008	0.216	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]O)	111.1440	0.000	1	111.1440	0.000	1	110.5008	0.216	21	110.5008	0.216	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]C)	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	113.6694	7.712	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H)	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	113.6694	7.712	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]O)	116.0830	0.000	1	116.0830	0.000	1	115.6160	1.195	3	113.6694	7.712	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]O)	114.3670	0.000	1	115.3825	2.062	2	115.6160	1.195	3	113.6694	7.712	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]O)	116.3980	0.000	1	115.3825	2.062	2	115.6160	1.195	3	113.6694	7.712	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]C)	109.5700	0.126	2	109.4037	0.171	6	108.8429	1.733	10	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]C)	109.3205	0.502	4	109.4037	0.171	6	108.8429	1.733	10	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(CN)(H){2|H<1>,4|C<4>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]C)	108.0018	1.828	4	108.0018	3.342	4	108.8429	1.733	10	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]C)	110.1025	0.334	2	110.1025	0.112	2	110.1025	0.112	2	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H)	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]O)	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	110.8197	0.152	3	110.8197	0.023	3	110.7963	0.018	7	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	110.9350	0.000	1	110.9350	0.000	1	110.7963	0.018	7	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	110.8600	0.000	1	110.8600	0.000	1	110.7963	0.018	7	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]O)	110.6600	0.041	2	110.6600	0.002	2	110.7963	0.018	7	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]O)	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]O)	114.0740	0.000	1	114.0740	0.000	1	112.1180	3.026	3	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]O)	111.5360	0.000	1	111.5360	0.000	1	112.1180	3.026	3	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]O)	110.7440	0.000	1	110.7440	0.000	1	112.1180	3.026	3	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:S-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H)	H(C[5]C[5,5]O[5]S)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]S)	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	110.0071	2.248	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5])	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5]){5|C<4>,8|H<1>}	H(C[5]C[5,5]O[5]O)	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	110.3510	0.416	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5])	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5]){4|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]O)	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	110.3510	0.416	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H)	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5])	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H){4|C<4>,4|H<1>}	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5]){4|C<4>,5|H<1>}	H(C[5]C[5,5]O[5]O)	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	110.3510	0.416	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:3:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5]-4:	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]O[5]O)	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:2:1:	4:4:4:4:	4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H)	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO)	H(C[5]C[5,5]O[5]O)	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]O)	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:3:4:1:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H){1|C<4>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]C)	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:3:2:	4:	C[5,5]-4:N[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:3:3:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]C)	109.4745	0.361	2	109.4357	0.070	3	109.1130	0.230	5	109.1130	0.230	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:3:3:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]C)	109.3580	0.000	1	109.4357	0.070	3	109.1130	0.230	5	109.1130	0.230	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:3:3:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]C)	108.6290	0.000	2	108.6290	0.000	2	109.1130	0.230	5	109.1130	0.230	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]C)	108.9940	0.396	6	108.9940	0.157	6	109.1490	0.299	7	109.1490	0.299	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]C)	110.0790	0.000	1	110.0790	0.000	1	109.1490	0.299	7	109.1490	0.299	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:4:2:	4:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	H(C[5]C[5,5]S[5]C)	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	H(C[5]C[5,5]S[5]C)	108.9515	0.104	2	108.9515	0.011	2	108.9515	0.011	2	108.9515	0.011	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:4:3:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	H(C[5]C[5,5]O[5]C)	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	108.7555	3.058	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	3:4:4:3:	4:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]S[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]S[5]C)	107.5190	0.000	1	107.5190	0.000	1	107.5190	0.000	1	108.7555	3.058	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]C)	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.2000	1.279	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:N-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]N)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]N)	107.7480	0.000	1	107.7480	0.000	1	109.2250	1.915	3	109.2000	1.279	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:N-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]N)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]N)	109.9635	0.747	2	109.9635	0.559	2	109.2250	1.915	3	109.2000	1.279	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	H(C[5]C[5,5]O[5]C)	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:3:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,5]O[5]C)	109.0695	0.217	2	109.0695	0.047	2	109.0695	0.047	2	109.0695	0.047	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:3:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]C)	108.5660	2.867	3	108.5660	8.218	3	108.5660	8.218	3	108.5660	8.218	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:3:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5])	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]C)	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:3:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)(COO)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)(COO){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]C)	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H){1|O<1>}	H(C[5]C[5,5]O[5]C)	109.7260	0.000	1	109.7260	0.000	1	109.1540	0.654	2	108.4347	3.889	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H){1|O<1>}	H(C[5]C[5,5]O[5]C)	108.5820	0.000	1	108.5820	0.000	1	109.1540	0.654	2	108.4347	3.889	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]C)	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	108.4347	3.889	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	105.6010	0.000	1	105.6010	0.000	1	105.6010	0.000	1	108.4347	3.889	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]C)	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	106.7526	2.139	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]C)	107.0233	1.385	3	106.6501	2.336	8	106.6501	2.336	8	106.7526	2.139	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	3:4:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	106.4262	1.721	5	106.6501	2.336	8	106.6501	2.336	8	106.7526	2.139	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H){1|C<4>,4|C<3>}	H(C[5]C[5,5]O[5]C)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.1412	0.210	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	108.7865	0.639	2	108.7865	0.408	2	108.7865	0.408	2	109.1412	0.210	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:3:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]C)	109.3770	0.117	2	109.3770	0.014	2	109.3770	0.014	2	109.1412	0.210	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:3:4:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	H(C[5]C[5,5]O[5]C)	108.2930	1.311	2	108.0927	0.628	4	108.0927	0.628	4	108.5138	0.824	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:3:4:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5]O[5]C)	107.8925	0.066	2	108.0927	0.628	4	108.0927	0.628	4	108.5138	0.824	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:3:4:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5])	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	109.3560	0.331	2	109.3560	0.110	2	109.3560	0.110	2	108.5138	0.824	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:3:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]C)	104.6695	1.882	2	104.6695	3.540	2	104.6695	3.540	2	104.6695	3.540	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){3|C<4>}	H(C[5]C[5,5]N[5]C)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]C)	109.5410	0.000	2	109.3067	0.165	3	109.3067	0.165	3	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.8380	0.000	1	109.3067	0.165	3	109.3067	0.165	3	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]O[5]C)	109.7820	0.000	1	109.7820	0.000	1	109.5070	0.151	2	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]C)	109.2320	0.000	1	109.2320	0.000	1	109.5070	0.151	2	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]C)	109.3168	0.840	5	109.3168	0.705	5	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|N<3>,3|C<4>}	H(C[5]C[5,5]O[5]C)	109.7810	0.000	1	109.7810	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	107.2760	0.000	1	107.2760	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|O<1>}	H(C[5]C[5,5]O[5]C)	108.9330	0.000	1	108.9330	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]C)	108.5420	0.000	1	108.5420	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.0950	0.000	1	110.0777	3.440	3	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]C)	111.0690	0.991	2	110.0777	3.440	3	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	108.5680	0.000	1	108.5680	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>}	H(C[5]C[5,5]O[5]C)	108.8850	0.000	1	108.8850	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.9815	0.245	2	108.9815	0.060	2	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]C)	111.3283	1.408	3	111.3283	1.983	3	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.5120	0.000	1	108.5120	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]C[5])(H){2|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]C)	111.1770	0.000	1	111.1770	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]C)	108.4030	0.000	1	108.4030	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]O[5]C)	109.8960	0.000	1	109.5735	0.208	2	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	109.2510	0.000	1	109.5735	0.208	2	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]C)	109.0550	0.000	1	109.0550	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]C)	111.1710	0.000	1	109.8110	3.699	2	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.4510	0.000	1	109.8110	3.699	2	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]O[5]C)	109.7040	0.000	1	109.7040	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]C)	109.4020	0.000	1	108.7720	0.460	11	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]O[5]C)	109.0690	0.000	1	108.7720	0.460	11	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.5606	0.769	7	108.7720	0.460	11	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	109.0485	0.308	2	108.7720	0.460	11	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.8000	0.600	2	108.8000	0.360	2	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	109.3660	0.000	1	109.3660	0.000	1	109.2816	1.271	42	109.3031	1.126	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H)	C[5,5](C[5]C[5,5]HH)(C[5]O[5]CH)(O[5]C[5])2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H){2|H<1>,4|C<4>}	C[5,5](C[5]C[5,5]HH)(C[5]O[5]CH)(O[5]C[5])2{2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]C)	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:2:4:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]C)	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>,4|H<1>}	H(C[5]C[5,5]O[5]C)	109.6645	0.603	2	109.6645	0.364	2	109.6645	0.364	2	108.3509	0.642	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]O[5]C)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	108.3509	0.642	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:1:	4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]S[5]C)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]S[5]C)	107.9563	0.545	6	107.9563	0.297	6	108.0080	0.236	8	108.3509	0.642	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:1:	4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5,5]S[5]C)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]S[5]C)	108.3930	0.000	1	108.1630	0.106	2	108.0080	0.236	8	108.3509	0.642	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:1:	4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5,5]S[5]C)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|O<1>,3|H<1>}	H(C[5]C[5,5]S[5]C)	107.9330	0.000	1	108.1630	0.106	2	108.0080	0.236	8	108.3509	0.642	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	109.0755	0.272	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5])	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]C)	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	109.0755	0.272	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:3:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H)	C[5,5](C[5]O[5]CH)(C[5]O[5]HH)(N[5]C[5]H)2	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,1|S<1>,4|H<1>}	C[5,5](C[5]O[5]CH)(C[5]O[5]HH)(N[5]C[5]H)2{2|S<1>}	H(C[5]C[5,5]O[5]C)	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]C)	109.3905	0.308	2	109.3905	0.095	2	109.3905	0.095	2	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,5]O[5]C)	107.8680	0.000	1	107.8680	0.000	1	107.9600	0.017	2	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]O[5]C)	108.0520	0.000	1	108.0520	0.000	1	107.9600	0.017	2	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]C)	108.8880	0.000	1	108.8880	0.000	1	108.6177	0.154	3	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]C)	108.1670	0.000	1	108.1670	0.000	1	108.6177	0.154	3	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]C)	108.7980	0.000	1	108.7980	0.000	1	108.6177	0.154	3	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,5]O[5]C)	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]C)	108.7855	0.315	2	108.7855	0.099	2	108.7193	0.063	3	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:1:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]C)	108.5870	0.000	1	108.5870	0.000	1	108.7193	0.063	3	108.6528	0.264	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5])	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]O[5]C)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.3445	1.383	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:2:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H)	C[5,5](C[5]C[5]CC)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5]C[5]CC)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]O[5]C)	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	107.3445	1.383	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]C)	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	108.0872	0.220	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H)	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O){3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]C)	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	108.0872	0.220	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]C)	108.1790	0.000	1	108.1790	0.000	1	108.1105	0.009	2	108.0872	0.220	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:2:4:1:	4:4:4:3:	4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H)	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C){1|O<1>,2|H<1>}	H(C[5]C[5,5]O[5]C)	108.0420	0.000	1	108.0420	0.000	1	108.1105	0.009	2	108.0872	0.220	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2{1|N<3>,5|C<3>}	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	H(C[5]C[5,5]N[5]H)	110.7290	0.003	4	110.7290	0.000	4	110.7290	0.000	4	110.7290	0.000	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2{1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9380	0.011	2	110.9380	0.000	2	110.9380	0.000	2	110.9380	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO){1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2485	0.032	2	111.2485	0.001	2	111.2485	0.001	2	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4110	0.016	2	110.4110	0.000	2	110.6243	0.061	4	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8375	0.015	2	110.8375	0.000	2	110.6243	0.061	4	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8080	0.039	4	110.8080	0.001	4	110.7466	0.020	5	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.5010	0.000	1	110.5010	0.000	1	110.7466	0.020	5	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2415	0.008	2	111.2415	0.000	2	111.2415	0.000	2	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.6910	0.047	4	110.6910	0.002	4	110.6910	0.002	4	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H){1|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	112.4880	0.717	2	112.4880	0.514	2	112.4880	0.514	2	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2{1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]N[5]H)	111.1945	0.026	2	111.1945	0.001	2	111.1945	0.001	2	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	111.2620	0.014	2	111.2620	0.000	2	111.2620	0.000	2	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:S[5]-3:H-1:H-1:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]S[5]H)	111.7765	3.149	2	111.7765	9.915	2	111.7765	9.915	2	111.0966	0.743	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2975	0.033	2	111.2975	0.001	2	111.2975	0.001	2	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.3260	0.151	4	111.3260	0.023	4	111.3260	0.023	4	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2085	0.016	2	111.2085	0.000	2	111.2085	0.000	2	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4620	0.007	2	110.4620	0.000	2	110.5635	0.014	4	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.6650	0.007	2	110.6650	0.000	2	110.5635	0.014	4	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2	C[5,5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]N[5]CC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<2>,1|N<3>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]N[5]CC){6|C<3>}	H(C[5]C[5,5]C[5]H)	111.0335	0.035	2	111.0335	0.001	2	111.0335	0.001	2	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.3260	0.031	2	111.3260	0.001	2	111.3260	0.001	2	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2{2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.9760	0.006	2	110.9760	0.000	2	110.9760	0.000	2	111.0689	0.100	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:2:3:	4:	C[5,5]-4:C[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]2H)	112.0250	0.041	2	112.0250	0.002	2	112.0250	0.002	2	112.0250	0.002	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0845	0.005	2	111.0845	0.000	2	111.0845	0.000	2	111.1429	0.134	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	111.1429	0.134	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0733	0.433	4	111.0733	0.188	4	111.1297	0.120	6	111.1429	0.134	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.2425	0.011	2	111.2425	0.000	2	111.1297	0.120	6	111.1429	0.134	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.5540	0.030	2	111.5540	0.001	2	111.5540	0.001	2	111.1429	0.134	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.1480	0.044	2	111.1480	0.002	2	111.1480	0.002	2	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|Si<4>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.7802	0.034	4	110.7802	0.001	4	110.7490	0.007	8	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7177	0.117	4	110.7177	0.014	4	110.7490	0.007	8	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9020	0.042	2	110.9020	0.002	2	110.7953	0.182	6	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2{1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4910	0.000	1	111.4910	0.000	1	110.7953	0.182	6	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.5190	0.000	1	110.5190	0.000	1	110.7953	0.182	6	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.4790	0.356	2	110.4790	0.127	2	110.7953	0.182	6	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.9710	0.044	2	110.9187	0.004	4	110.9187	0.004	4	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.8665	0.023	2	110.9187	0.004	4	110.9187	0.004	4	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:3:3:	4:	C[5,5]-4:S[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,5]S[5]H)	110.8990	1.339	2	110.8990	1.794	2	110.8990	1.794	2	110.8424	0.146	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H)	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	110.7892	0.380	6	110.7892	0.145	6	110.7892	0.145	6	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8670	0.028	2	110.8670	0.001	2	110.8773	0.000	4	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8875	0.013	2	110.8875	0.000	2	110.8773	0.000	4	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	112.7245	2.937	2	112.7245	8.624	2	112.7245	8.624	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6871	0.078	10	110.6871	0.006	10	110.8221	0.039	18	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9995	0.016	2	110.9995	0.000	2	110.8221	0.039	18	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8600	0.007	2	110.8600	0.000	2	110.8221	0.039	18	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2425	0.095	2	111.2425	0.009	2	110.8221	0.039	18	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.8610	0.027	2	110.8610	0.001	2	110.8221	0.039	18	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,5]C[5]H)	113.4827	0.602	4	113.0354	1.300	8	112.5800	1.933	10	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	112.5880	1.462	4	113.0354	1.300	8	112.5800	1.933	10	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H){2|C<4>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.7585	0.030	2	110.7585	0.001	2	112.5800	1.933	10	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.2325	0.040	2	110.2325	0.002	2	110.2325	0.002	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4355	0.022	2	110.4355	0.000	2	110.4355	0.000	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0355	0.032	2	111.0355	0.001	2	110.9971	0.036	16	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8325	0.028	2	110.8325	0.001	2	110.9971	0.036	16	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.2050	0.117	4	111.2050	0.014	4	110.9971	0.036	16	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.7703	0.176	3	110.7703	0.031	3	110.9971	0.036	16	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8930	0.021	2	110.8930	0.000	2	110.9971	0.036	16	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1003	0.037	3	111.1003	0.001	3	110.9971	0.036	16	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.6140	3.308	4	111.6140	10.941	4	111.6140	10.941	4	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.4610	0.033	2	110.4610	0.001	2	110.4610	0.001	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0267	0.052	4	111.0267	0.003	4	110.9169	0.063	12	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8140	0.010	2	110.8140	0.000	2	110.9169	0.063	12	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.4785	0.030	2	110.4785	0.001	2	110.9169	0.063	12	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8990	0.025	2	110.8990	0.001	2	110.9169	0.063	12	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.2565	0.004	2	111.2565	0.000	2	110.9169	0.063	12	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|H<1>,5|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8450	0.004	2	110.8450	0.000	2	110.8450	0.000	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]N[5])(C[5]N[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5,6]H)	111.6050	0.033	2	111.6050	0.001	2	111.6050	0.001	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.3420	0.034	2	111.3420	0.001	2	111.3420	0.001	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.4415	0.029	2	111.4415	0.001	2	111.4415	0.001	2	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	H(C[5]C[5,5]N[5]H)	111.1288	0.107	10	111.1762	0.022	12	111.1762	0.022	12	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<4>,1|S<2>,1|S<4>,7|H<1>}	H(C[5]C[5,5]N[5]H)	111.4135	0.042	2	111.1762	0.022	12	111.1762	0.022	12	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.1035	0.063	2	111.1035	0.004	2	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	111.1160	0.041	2	111.1160	0.002	2	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.5840	0.020	2	111.5840	0.000	2	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	111.2260	0.028	2	111.2260	0.001	2	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	111.2155	0.052	4	111.2155	0.003	4	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|B<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|B<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.3515	0.018	2	109.3606	5.232	10	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	105.4155	2.849	2	109.3606	5.232	10	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.3785	0.060	2	109.3606	5.232	10	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.3287	0.131	4	109.3606	5.232	10	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(H)2	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.8415	0.036	2	110.8415	0.001	2	110.4254	2.918	24	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[5,5]N[5]H)	111.1505	0.093	4	111.1505	0.009	4	111.1505	0.009	4	111.0249	1.384	127	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.2335	0.016	2	110.2335	0.000	2	110.2335	0.000	2	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.2375	4.489	2	110.2375	20.155	2	110.7511	2.606	9	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9105	0.005	2	110.9105	0.000	2	110.7511	2.606	9	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.8928	0.067	5	110.8928	0.004	5	110.7511	2.606	9	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2{1|O<2>,2|C<4>,4|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4665	0.019	2	111.4665	0.000	2	111.4665	0.000	2	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.6640	0.000	1	110.6640	0.000	1	111.3110	0.314	3	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	111.6345	0.012	2	111.6345	0.000	2	111.3110	0.314	3	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5])	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2{3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.9753	0.065	3	110.9753	0.004	3	110.9753	0.004	3	110.9217	1.263	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,2|H<1>,5|C<3>}	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H){1|C<4>,8|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9445	0.006	2	110.9445	0.000	2	110.9445	0.000	2	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.4030	0.033	2	111.4030	0.001	2	111.4030	0.001	2	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	109.9735	0.640	2	109.9735	0.410	2	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9580	0.013	2	110.9555	0.001	4	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9530	0.049	2	110.9555	0.001	4	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8937	0.049	3	110.8937	0.002	3	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	111.0460	0.035	2	111.0460	0.001	2	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.0355	0.036	2	111.0355	0.001	2	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9025	0.170	4	110.9025	0.029	4	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.2210	0.000	1	110.2210	0.000	1	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.8140	0.065	2	110.8140	0.004	2	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.4905	0.033	2	110.4905	0.001	2	110.7751	0.133	22	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8370	0.014	2	110.8370	0.000	2	110.7320	0.033	3	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5220	0.000	1	110.5220	0.000	1	110.7320	0.033	3	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]O)(H)2	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	112.2820	2.592	2	112.2820	6.720	2	112.2820	6.720	2	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	112.7315	1.976	2	112.7315	3.906	2	112.7315	3.906	2	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]N[5]C)(H)2	C[5,5](N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.4540	0.025	3	111.4540	0.001	3	111.4540	0.001	3	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.2500	0.008	2	111.2500	0.000	2	111.2500	0.000	2	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.3936	0.120	8	110.4499	0.023	14	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.7355	0.011	2	110.4499	0.023	14	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.4197	0.034	4	110.4499	0.023	14	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.5895	0.035	2	110.9567	0.180	4	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.3240	0.020	2	110.9567	0.180	4	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	110.8570	0.025	2	110.8570	0.001	2	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.1110	0.006	2	111.0473	0.012	3	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	110.9200	0.000	1	111.0473	0.012	3	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.3975	0.008	2	110.3975	0.000	2	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.0345	0.050	2	110.5447	0.321	4	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.0550	0.020	2	110.5447	0.321	4	110.6192	0.124	29	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.7590	0.066	5	110.7590	0.004	5	110.9826	0.056	11	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.1690	0.126	6	111.1690	0.016	6	110.9826	0.056	11	110.9000	0.421	79	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:B[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(B[5]B[5]C[5])(H)2	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]B[5]H)	C[5](C[5,5]C[5,5]C[5]C)(B[5]B[5]C[5])(H)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>}	H(C[5]C[5,5]B[5]H)	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	111.1721	0.229	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.2518	0.644	4	111.2518	0.415	4	111.2518	0.415	4	111.1721	0.229	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.6410	0.104	3	111.6410	0.011	3	111.6410	0.011	3	111.1721	0.229	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.5800	0.051	2	110.5800	0.003	2	110.5800	0.003	2	111.1721	0.229	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.1765	0.044	4	111.1765	0.002	4	111.1765	0.002	4	111.1721	0.229	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:2:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.5925	0.015	2	111.5925	0.000	2	111.5925	0.000	2	111.5925	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(H)2	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1917	0.041	4	111.1917	0.002	4	111.1917	0.002	4	111.1917	0.002	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:2:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,5]N[5]H)	111.5770	0.000	1	111.4333	0.016	3	111.4333	0.016	3	111.4333	0.016	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:2:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,5]N[5]H)	111.3615	0.012	2	111.4333	0.016	3	111.4333	0.016	3	111.4333	0.016	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.0662	0.027	4	111.0662	0.001	4	110.9745	0.021	6	110.8051	0.113	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2{1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.7910	0.010	2	110.7910	0.000	2	110.9745	0.021	6	110.8051	0.113	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:2:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH){2|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	110.2970	0.049	2	110.2970	0.002	2	110.2970	0.002	2	110.8051	0.113	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]O)(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]O)(H)2{2|O<1>,3|C<3>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.9625	0.107	4	110.9625	0.011	4	110.9625	0.011	4	111.2419	0.072	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]N[5])(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]N[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.4770	0.028	2	111.4770	0.001	2	111.5115	0.002	4	111.2419	0.072	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]C)(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.5460	0.010	2	111.5460	0.000	2	111.5115	0.002	4	111.2419	0.072	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]H)(H)2	C[5,5](C[5]C[5]HH)(N[5]C[5]C)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]H)(H)2{2|C<3>,3|C<4>}	C[5,5](C[5]C[5]HH)(N[5]C[5]C)2(O[5]C[5]){1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	111.2615	0.005	2	111.2615	0.000	2	111.2615	0.000	2	111.2419	0.072	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:Cl-1:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]Cl)(C[5]N[5,6]O)(H)2	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]Cl)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.3460	0.037	2	111.3460	0.001	2	111.3460	0.001	2	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.0570	0.014	4	111.0570	0.000	4	111.0570	0.000	4	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.9555	0.011	2	110.9555	0.000	2	110.9555	0.000	2	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5640	0.011	2	110.5640	0.000	2	110.5640	0.000	2	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|B<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.3170	0.114	4	111.3170	0.013	4	111.1877	0.048	6	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9290	0.024	2	110.9290	0.001	2	111.1877	0.048	6	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.3197	0.039	3	111.3197	0.001	3	111.3197	0.001	3	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[3x5,6,6]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	H(C[5]C[5,5]N[5,6]H)	111.1285	0.187	2	111.1285	0.035	2	111.1285	0.035	2	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.4725	0.008	2	110.3710	0.014	4	110.4673	7.803	6	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]N[5])(C[5]N[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.2695	0.006	2	110.3710	0.014	4	110.4673	7.803	6	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	110.6600	6.234	2	110.6600	38.861	2	110.4673	7.803	6	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	113.2835	0.050	2	113.2835	0.003	2	113.2835	0.003	2	111.1266	1.863	29	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.0782	0.078	13	111.0782	0.006	13	111.0782	0.006	13	111.0782	0.006	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.0145	0.011	2	111.0145	0.000	2	112.0907	1.735	4	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	113.1670	0.757	2	113.1670	0.572	2	112.0907	1.735	4	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5060	0.016	2	110.5060	0.000	2	110.5060	0.000	2	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.7415	1.128	2	111.7415	1.272	2	111.5465	0.708	4	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|N<2>,2|O<2>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.3515	0.837	2	111.3515	0.700	2	111.5465	0.708	4	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]N[5,6]O)(H)2	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9080	0.037	2	110.9080	0.001	2	110.9080	0.001	2	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2{1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S){3|C<3>}	H(C[5]C[5,5]C[5]H)	111.3240	0.017	2	111.3240	0.000	2	111.3240	0.000	2	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	111.3920	0.004	2	111.3920	0.000	2	111.3920	0.000	2	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2{1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S){3|C<3>,8|H<1>}	H(C[5]C[5,5]N[5]H)	110.9000	0.013	2	110.9000	0.000	2	110.9000	0.000	2	111.3672	0.700	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.0360	0.013	2	111.0360	0.000	2	111.0360	0.000	2	111.0955	0.005	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:3:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	111.1550	0.023	2	111.1550	0.001	2	111.1550	0.001	2	111.0955	0.005	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2{4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4515	2.287	2	110.4515	5.233	2	110.8090	0.383	16	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]O)(H)2{3|C<4>}	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.8601	0.129	14	110.8601	0.017	14	110.8090	0.383	16	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1488	0.878	8	111.1488	0.771	8	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5686	0.709	5	110.5686	0.503	5	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3365	1.145	2	111.3365	1.311	2	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2465	1.977	4	111.2465	3.907	4	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3525	0.033	2	110.3525	0.001	2	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9644	0.161	26	110.9644	0.026	26	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9213	0.026	3	110.9213	0.001	3	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1220	0.007	2	110.9919	0.030	18	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9242	0.135	12	110.9919	0.030	18	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1300	0.221	4	110.9919	0.030	18	110.9719	0.358	68	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,3|O<2>}	H(C[5]C[5,5]N[5,5]H)	111.3235	0.026	2	111.3235	0.001	2	111.3235	0.001	2	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5,6]H)	110.7790	0.023	2	110.9119	0.010	8	110.9119	0.010	8	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5,6]H)	110.9562	0.062	6	110.9119	0.010	8	110.9119	0.010	8	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	107.0315	0.278	2	107.0315	0.077	2	110.8288	1.299	27	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.1283	0.220	7	110.9984	0.190	9	110.8288	1.299	27	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5]C[5,5]N[5]H)	110.5440	0.834	2	110.9984	0.190	9	110.8288	1.299	27	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.9170	0.056	4	111.2080	0.052	16	110.8288	1.299	27	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.1315	0.019	2	111.2080	0.052	16	110.8288	1.299	27	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.3397	0.165	10	111.2080	0.052	16	110.8288	1.299	27	110.9203	0.538	121	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	115.8205	2.480	2	115.8205	6.150	2	112.7088	7.082	6	111.6098	3.247	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2{3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1530	0.267	4	111.1530	0.071	4	112.7088	7.082	6	111.6098	3.247	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7160	0.010	2	110.7160	0.000	2	110.8711	0.077	8	111.6098	3.247	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6437	0.040	3	110.6437	0.002	3	110.8711	0.077	8	111.6098	3.247	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2020	0.037	3	111.2020	0.001	3	110.8711	0.077	8	111.6098	3.247	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|N<2>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.2670	0.955	2	111.2670	0.911	2	111.2670	0.911	2	111.6098	3.247	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(O[5]C[5])(CCO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(O[5]C[5])(CCO){1|C<3>,1|S<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.1245	0.016	2	111.1245	0.000	2	111.2542	0.023	4	111.2542	0.023	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.3840	0.004	2	111.3840	0.000	2	111.2542	0.023	4	111.2542	0.023	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.1025	0.115	4	111.1025	0.013	4	111.1025	0.013	4	110.9040	0.329	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]C)(C[5]O[5]O)(H)2	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]C)(C[5]O[5]O)(H)2{3|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4045	0.013	2	110.4045	0.000	2	110.4045	0.000	2	110.9040	0.329	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6510	0.052	2	110.6510	0.003	2	110.6510	0.003	2	110.9040	0.329	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]C)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0955	0.033	4	111.0955	0.001	4	110.9758	0.034	8	110.9040	0.329	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2{3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0255	0.023	2	111.0255	0.001	2	110.9758	0.034	8	110.9040	0.329	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.6865	0.033	2	110.6865	0.001	2	110.9758	0.034	8	110.9040	0.329	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:2:4:	4:	C[5,5]-4:S[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<3>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3){1|H<1>,1|O<1>,1|S<1>}	H(C[5]C[5,5]S[5]H)	110.9725	2.115	2	110.9725	4.473	2	110.9725	4.473	2	110.9040	0.329	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.8665	0.009	2	110.8665	0.000	2	110.9483	0.004	8	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9795	0.022	2	110.9795	0.000	2	110.9483	0.004	8	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0110	0.010	2	111.0110	0.000	2	110.9483	0.004	8	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.9360	0.028	2	110.9360	0.001	2	110.9483	0.004	8	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2260	2.848	2	111.2193	2.704	4	111.0418	0.741	14	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2125	0.013	2	111.2193	2.704	4	111.0418	0.741	14	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1545	0.114	4	111.1545	0.013	4	111.0418	0.741	14	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.4245	0.033	2	110.4245	0.001	2	111.0418	0.741	14	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.4255	0.029	2	111.4255	0.001	2	111.0418	0.741	14	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)(H)2{1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6950	0.034	2	110.6950	0.001	2	111.0418	0.741	14	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]H)	110.8320	0.011	2	110.8320	0.000	2	110.8320	0.000	2	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]N[5,6]H)	111.2130	0.079	2	111.2130	0.006	2	111.2130	0.006	2	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.9015	0.049	2	110.9015	0.002	2	110.9015	0.002	2	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:F-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.5787	0.176	3	111.5787	0.031	3	111.5787	0.031	3	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.2413	0.644	4	111.2413	0.415	4	111.1455	2.178	19	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	110.9282	0.166	6	110.9282	0.028	6	111.1455	2.178	19	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	112.5095	5.595	2	112.5095	31.308	2	111.1455	2.178	19	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.5293	0.300	4	110.5293	0.090	4	111.1455	2.178	19	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5,5]N[5]H)	111.0660	0.055	2	111.0660	0.003	2	111.1455	2.178	19	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	H(C[5]C[5,5]N[5]H)	111.9630	0.000	1	111.9630	0.000	1	111.1455	2.178	19	111.0913	1.023	50	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H)	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a])	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H){1|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	110.5591	1.545	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.6885	0.016	2	110.6885	0.000	2	110.6885	0.000	2	110.5591	1.545	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7955	0.023	2	110.7955	0.001	2	110.7955	0.001	2	110.5591	1.545	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.4490	0.024	2	111.4490	0.001	2	111.4490	0.001	2	110.5591	1.545	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:2:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5])	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.9140	0.016	2	110.9140	0.000	2	110.9140	0.000	2	110.5591	1.545	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]H)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]H)(COO){1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0850	0.028	2	111.0850	0.001	2	111.0850	0.001	2	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9625	0.094	2	110.9625	0.009	2	110.9625	0.009	2	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.6975	0.135	4	110.6975	0.018	4	110.6454	0.112	10	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6893	0.534	4	110.6893	0.285	4	110.6454	0.112	10	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O){1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4535	0.036	2	110.4535	0.001	2	110.6454	0.112	10	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]S){1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0180	0.025	2	111.0180	0.001	2	110.9687	0.050	9	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1930	0.013	3	111.1930	0.000	3	110.9687	0.050	9	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9315	0.028	2	110.9315	0.001	2	110.9687	0.050	9	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]S){1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6200	0.020	2	110.6200	0.000	2	110.9687	0.050	9	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(N[5]N[5]H)(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(N[5]N[5]H)(COO){1|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.6260	0.004	2	110.6260	0.000	2	110.6260	0.000	2	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H){1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.3940	0.031	2	111.3940	0.001	2	111.3940	0.001	2	110.8632	0.107	27	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9167	0.077	3	110.9167	0.006	3	110.9167	0.006	3	111.0126	0.020	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.1565	0.021	2	111.1565	0.000	2	111.1565	0.000	2	111.0126	0.020	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9985	0.008	2	110.9985	0.000	2	110.9985	0.000	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:Br-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(Br)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]BrH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]Br)	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.6175	2.311	4	111.6175	5.340	4	111.6175	5.340	4	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4165	0.009	2	110.4165	0.000	2	110.5487	0.052	3	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8130	0.000	1	110.8130	0.000	1	110.5487	0.052	3	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5190	0.311	4	110.5368	0.059	6	110.5368	0.059	6	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{3|H<1>,4|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5725	0.043	2	110.5368	0.059	6	110.5368	0.059	6	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.3190	0.046	4	111.3190	0.002	4	110.5229	2.906	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	109.2125	4.304	2	109.2125	18.526	2	110.5229	2.906	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0643	0.056	4	111.0643	0.003	4	110.5229	2.906	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	109.1585	1.600	2	109.1585	2.561	2	110.5229	2.906	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	112.2275	2.901	2	112.2275	8.417	2	112.2275	8.417	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5080	0.027	2	110.5080	0.001	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5360	0.037	2	110.5360	0.001	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.3120	0.027	2	110.3120	0.001	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.1215	4.642	2	110.1215	21.550	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8560	0.054	2	110.8560	0.003	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0705	0.018	2	111.0705	0.000	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	109.9755	0.736	2	109.9755	0.542	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	114.2060	2.391	2	114.2060	5.719	2	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4427	0.112	3	110.4427	0.013	3	110.8684	3.031	19	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7370	0.058	2	110.7370	0.003	2	111.6857	3.751	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	113.2595	2.955	4	113.2595	8.735	4	111.6857	3.751	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0215	0.149	4	111.0215	0.022	4	111.6857	3.751	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8155	0.018	2	110.8155	0.000	2	111.6857	3.751	12	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4024	0.028	5	110.4024	0.001	5	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1070	0.023	2	111.1070	0.001	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8570	0.010	2	110.8570	0.000	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9420	0.006	2	110.9420	0.000	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0703	0.017	3	111.0703	0.000	3	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7590	0.027	2	110.7590	0.001	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	112.5085	1.570	2	112.5085	2.466	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.4350	0.096	2	110.4350	0.009	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.2860	0.033	3	110.2860	0.001	3	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H){2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,5]C[5]H)	113.0963	2.470	6	113.0963	6.101	6	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.1420	0.020	2	111.1420	0.000	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7380	0.000	1	110.7380	0.000	1	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	111.9230	0.240	2	111.9230	0.058	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0765	0.006	2	111.0765	0.000	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3355	0.008	2	110.3355	0.000	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5420	0.013	2	110.5420	0.000	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	113.6055	3.096	4	113.6055	9.585	4	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6292	0.037	4	110.7198	0.007	14	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.7560	0.068	10	110.7198	0.007	14	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	113.1645	0.540	2	113.1645	0.291	2	111.3247	2.232	60	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6950	0.023	2	110.6950	0.001	2	110.6950	0.001	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|P<3>,1|S<1>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.2670	0.023	2	111.2670	0.001	2	111.2670	0.001	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4850	0.020	2	110.4850	0.000	2	110.4850	0.000	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4630	0.004	2	110.4430	0.001	4	110.4418	0.000	5	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4230	0.017	2	110.4430	0.001	4	110.4418	0.000	5	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4370	0.000	1	110.4370	0.000	1	110.4418	0.000	5	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]N[5,5]H)	111.0300	0.045	2	111.0300	0.002	2	111.0300	0.002	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2{2|H<1>,5|C<4>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.2335	0.049	2	111.2335	0.002	2	111.2335	0.002	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	111.0605	0.042	2	111.0605	0.002	2	111.0620	0.001	4	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]N[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	111.0635	0.015	2	111.0635	0.000	2	111.0620	0.001	4	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.0510	0.051	2	111.0510	0.003	2	111.0473	0.001	4	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.0435	0.005	2	111.0435	0.000	2	111.0473	0.001	4	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.8365	0.025	2	110.8400	0.000	3	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.8470	0.000	1	110.8400	0.000	3	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|S<4>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,5]N[5]H)	109.7350	2.595	2	109.7350	6.734	2	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,5]N[5]H)	112.6863	3.595	4	112.6863	12.925	4	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H){2|O<1>,5|H<1>}	H(C[5]C[5,5]N[5]H)	110.4865	0.005	2	110.4865	0.000	2	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|N<3>,6|H<1>}	H(C[5]C[5,5]N[5]H)	110.8847	0.192	11	110.8847	0.037	11	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,6|H<1>}	H(C[5]C[5,5]N[5]H)	111.4035	0.015	2	111.3950	0.001	4	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.3865	0.036	2	111.3950	0.001	4	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.1265	0.052	2	111.2145	0.011	4	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.3025	0.011	2	111.2145	0.011	4	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.6360	0.086	2	111.0369	0.065	8	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.2425	0.011	2	111.0369	0.065	8	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.1345	0.028	4	111.0369	0.065	8	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.0373	0.487	4	110.8219	0.124	14	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.6238	0.143	8	110.8219	0.124	14	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.1835	0.053	2	110.8219	0.124	14	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.9145	0.013	2	110.9145	0.000	2	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.3272	0.054	11	111.2835	0.014	13	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	111.0435	0.019	2	111.2835	0.014	13	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	110.8170	0.000	1	110.8170	0.000	1	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,5]N[5]H)	110.6890	0.024	2	110.6890	0.001	2	111.0627	0.953	70	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]N[5]H)	109.8960	3.066	4	109.9433	7.580	6	109.9781	6.325	7	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){2|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	110.0380	3.108	2	109.9433	7.580	6	109.9781	6.325	7	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2{2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(S[5]C[5]OO)(H){1|N<3>,6|H<1>}	H(C[5]C[5,5]N[5]H)	110.1870	0.000	1	110.1870	0.000	1	109.9781	6.325	7	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	110.8455	0.035	2	110.8455	0.001	2	110.8455	0.001	2	111.0944	2.089	223	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]C)(H)2	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.9255	0.276	8	110.9255	0.076	8	110.9255	0.076	8	111.0051	0.052	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1760	0.024	2	111.1760	0.001	2	111.1760	0.001	2	111.0051	0.052	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2{4|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0180	0.004	2	111.0180	0.000	2	111.0790	0.005	4	111.0051	0.052	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1400	0.004	2	111.1400	0.000	2	111.0790	0.005	4	111.0051	0.052	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]2C[5])(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)(C[5]N[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	H(C[5]C[5,5]C[5]H)	110.6115	0.008	2	110.6115	0.000	2	110.6115	0.000	2	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	109.6585	1.916	2	109.6585	3.669	2	110.2013	1.616	4	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7440	0.041	2	110.7440	0.002	2	110.2013	1.616	4	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8040	0.013	2	110.8040	0.000	2	110.6038	0.019	12	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.5232	0.132	6	110.5232	0.017	6	110.6038	0.019	12	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.6625	0.008	2	110.6625	0.000	2	110.6038	0.019	12	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.5870	0.014	2	110.5870	0.000	2	110.6038	0.019	12	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N)(C[5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7910	0.024	2	110.7910	0.001	2	110.7910	0.001	2	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.2115	0.037	2	111.2115	0.001	2	110.8765	0.106	6	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9275	0.029	2	110.9275	0.001	2	110.8765	0.106	6	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5]O)(H)2	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	110.4905	0.005	2	110.4905	0.000	2	110.8765	0.106	6	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.2135	0.029	2	111.2135	0.001	2	110.6396	0.116	9	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,2|H<1>,5|C<4>}	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.3440	0.000	1	110.3440	0.000	1	110.6396	0.116	9	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	C[5,5](C[5]C[5]HH)3(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)3(C[5]N[5]O){1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3670	0.016	2	110.3670	0.000	2	110.6396	0.116	9	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5205	0.005	2	110.5205	0.000	2	110.6396	0.116	9	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(C[5]O[5]O){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6050	0.008	2	110.6050	0.000	2	110.6396	0.116	9	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.8530	0.013	2	110.8530	0.000	2	111.3890	7.576	6	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.2480	0.025	2	110.2480	0.001	2	111.3890	7.576	6	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]O)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	113.0660	5.392	2	113.0660	29.078	2	111.3890	7.576	6	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]O){1|S<4>,6|H<1>}	H(C[5]C[5,5]N[5]H)	111.7015	0.025	2	111.7015	0.001	2	111.7015	0.001	2	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.7018	0.127	4	110.7018	0.016	4	110.7018	0.016	4	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	110.7510	0.007	2	110.7510	0.000	2	110.8360	0.016	8	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]H)	110.9995	0.059	2	110.9442	0.006	4	110.8360	0.016	8	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	110.8890	0.030	2	110.9442	0.006	4	110.8360	0.016	8	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	110.7045	0.012	2	110.7045	0.000	2	110.8360	0.016	8	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2	C[5,5](C[5]C[5]ClH)(C[5]C[5]2H)(C[5]N[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2{1|Cl<1>,1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5]ClH)(C[5]C[5]2H)(C[5]N[5]HH)(N[5]C[5]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	111.0160	0.024	2	111.0160	0.001	2	111.1265	0.017	4	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2	C[5,5](C[5]C[5]ClH)(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]ClH)(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]H){1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.2370	0.021	2	111.2370	0.000	2	111.1265	0.017	4	110.8069	0.880	59	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]O)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]O)(H)2{2|H<1>,5|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)2(CH3){1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	109.3440	0.946	2	109.3440	0.895	2	109.3440	0.895	2	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]O)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]O)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.3170	0.013	2	111.3170	0.000	2	111.3170	0.000	2	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	113.7863	2.606	3	113.7863	6.793	3	111.2659	2.680	15	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6357	0.097	12	110.6357	0.009	12	111.2659	2.680	15	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.4325	0.045	2	110.4325	0.002	2	110.3542	0.056	10	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6750	0.000	1	110.6750	0.000	1	110.3542	0.056	10	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)2(CH3){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.1015	0.070	4	110.1015	0.005	4	110.3542	0.056	10	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4730	0.004	2	110.4730	0.000	2	110.3542	0.056	10	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|Co<6>,1|C<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.6500	0.000	1	110.6500	0.000	1	110.3542	0.056	10	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.9640	0.010	2	110.9640	0.000	2	110.9640	0.000	2	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7995	0.056	2	110.7995	0.003	2	110.7995	0.003	2	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)2(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)2(CH3){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	111.1750	0.007	2	111.1750	0.000	2	111.2353	0.005	4	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	111.2955	0.013	2	111.2955	0.000	2	111.2353	0.005	4	110.8735	1.377	37	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:2:4:3:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H){1|C<4>,2|C<3>,2|O<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O){2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:3:4:3:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]O)	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	109.4145	0.112	2	109.4145	0.013	2	109.7003	0.251	3	109.2197	2.348	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	110.2720	0.000	1	110.2720	0.000	1	109.7003	0.251	3	109.2197	2.348	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3){2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	109.2197	2.348	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:Ge[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,9|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H){11|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.5130	0.000	2	107.5130	0.000	2	107.5130	0.000	2	109.2197	2.348	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:3:4:4:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]O)	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	109.2197	2.348	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]O)	108.7997	1.311	7	108.7997	1.720	7	108.7997	1.720	7	108.7997	1.720	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	109.8193	0.291	3	109.8193	0.085	3	109.8193	0.085	3	109.4333	0.653	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	109.4333	0.653	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:2:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]O)	111.9140	1.213	2	111.9140	1.472	2	111.1757	1.455	4	111.1678	0.873	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:2:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]O)	110.4375	0.844	2	110.4375	0.712	2	111.1757	1.455	4	111.1678	0.873	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5])	H(C[5]C[5,5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]N)	111.1520	0.016	2	111.1520	0.000	2	111.1520	0.000	2	111.1678	0.873	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	110.0862	1.533	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:S-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O)	H(C[5]C[5,5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]S)	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	110.0862	1.533	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.5880	0.000	1	108.5880	0.000	1	108.4300	0.050	2	110.0862	1.533	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.2720	0.000	1	108.2720	0.000	1	108.4300	0.050	2	110.0862	1.533	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	H(C[5]C[5,5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]N)	110.9160	0.416	4	110.9160	0.173	4	110.9160	0.173	4	110.0862	1.533	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S){3|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]O)	110.6020	0.025	2	110.6020	0.001	2	110.9580	0.381	3	110.0862	1.533	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]N[5]O)	111.6700	0.000	1	111.6700	0.000	1	110.9580	0.381	3	110.0862	1.533	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H){1|O<2>,3|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O){5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.5710	0.262	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	107.5710	0.262	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:3:4:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H){3|C<3>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	H(C[5]C[5,5]N[5]O)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]O)	109.3014	0.522	5	109.3014	0.272	5	109.3014	0.272	5	109.0315	0.391	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.0905	0.013	2	108.0905	0.000	2	108.0905	0.000	2	109.0315	0.391	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,5]C[6a]O[5])	109.0260	0.021	2	109.0260	0.000	2	109.2090	0.101	3	109.0315	0.391	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,5]C[6a]O[5])	109.5750	0.000	1	109.5750	0.000	1	109.2090	0.101	3	109.0315	0.391	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:3:4:4:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.3070	0.000	1	109.6665	0.258	2	109.2210	2.273	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.0260	0.000	1	109.6665	0.258	2	109.2210	2.273	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	107.0990	0.000	1	107.0990	0.000	1	109.2210	2.273	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.0970	0.000	1	111.0970	0.000	1	109.2210	2.273	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	108.5760	0.000	1	108.5760	0.000	1	109.2210	2.273	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]N[5]O[5])	108.1640	0.000	1	108.8127	2.632	3	108.8127	2.632	3	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]N[5]O[5])	110.6590	0.000	1	108.8127	2.632	3	108.8127	2.632	3	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]N[5]O[5])	107.6150	0.000	1	108.8127	2.632	3	108.8127	2.632	3	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5a]O[5])	109.9020	0.000	1	109.9020	0.000	1	109.9013	0.484	3	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5a]O[5])	110.5970	0.000	1	110.5970	0.000	1	109.9013	0.484	3	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5,5]N[5a]O[5])	109.2050	0.000	1	109.2050	0.000	1	109.9013	0.484	3	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]N[6]O[5])	108.4970	0.000	1	108.4970	0.000	1	108.2328	0.366	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[6]O[5])	107.5730	0.000	1	108.1667	0.458	4	108.2328	0.366	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]N[6]O[5])	108.2350	0.897	2	108.1667	0.458	4	108.2328	0.366	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]N[6]O[5])	108.6240	0.000	1	108.1667	0.458	4	108.2328	0.366	5	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>}	H(C[5]C[5,5]N[6a]O[5])	107.5260	0.000	1	107.7580	0.048	3	108.1707	0.501	7	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<4>,4|C<3>}	H(C[5]C[5,5]N[6a]O[5])	107.8740	0.120	2	107.7580	0.048	3	108.1707	0.501	7	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H)	H(C[5]C[5,5]N[6a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[6a]O[5])	109.2010	0.000	1	109.2010	0.000	1	108.1707	0.501	7	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[6a]O[5])	107.5520	0.000	1	108.2400	0.661	3	108.1707	0.501	7	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]N[6a]O[5])	109.1370	0.000	1	108.2400	0.661	3	108.1707	0.501	7	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:1:	4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[6a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[6a]O[5])	108.0310	0.000	1	108.2400	0.661	3	108.1707	0.501	7	108.7220	1.298	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	108.3910	0.970	2	108.3910	0.941	2	108.3910	0.941	2	108.3910	0.941	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:2:3:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5,5]O)	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]O)	107.9530	0.000	1	107.9530	0.000	1	109.3430	3.864	2	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.7330	0.000	1	110.7330	0.000	1	109.3430	3.864	2	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	107.3940	0.000	2	107.3940	0.000	2	108.0700	0.284	9	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	107.8570	0.203	3	108.2631	0.183	7	108.0700	0.284	9	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.8650	0.000	1	108.2631	0.183	7	108.0700	0.284	9	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.5610	0.000	1	108.2631	0.183	7	108.0700	0.284	9	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.4225	0.145	2	108.2631	0.183	7	108.0700	0.284	9	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]O)	111.1470	0.000	1	111.1470	0.000	1	111.1470	0.000	1	108.5386	1.474	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,5|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.2812	0.028	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(COO)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(COO){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.4080	0.120	2	108.4080	0.014	2	108.4080	0.014	2	108.2812	0.028	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2812	0.028	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH){1|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]O)	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H){2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]O)	108.5815	0.146	2	108.5815	0.021	2	108.5815	0.021	2	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]O)	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.3150	0.000	1	107.3150	0.000	1	107.3150	0.000	1	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.5135	0.165	2	108.5135	0.027	2	108.5135	0.027	2	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[6a]O[5])	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.3560	0.455	2	108.3560	0.207	2	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.6100	0.000	1	108.6100	0.000	1	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.1650	0.234	3	108.5551	0.194	32	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.5374	0.425	24	108.5551	0.194	32	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.8190	0.238	2	108.5551	0.194	32	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){2|C<3>,2|O<1>}	H(C[5]C[5,5]C[6a]O[5])	109.4270	0.000	1	108.5551	0.194	32	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.0510	0.000	1	108.5551	0.194	32	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.2540	0.000	1	108.5551	0.194	32	108.5453	0.186	35	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	109.1340	0.000	1	109.4380	0.185	2	109.1958	0.187	4	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]O[5])	109.7420	0.000	1	109.4380	0.185	2	109.1958	0.187	4	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.6870	0.000	1	108.9535	0.142	2	109.1958	0.187	4	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.2200	0.000	1	108.9535	0.142	2	109.1958	0.187	4	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H)	H(C[5]C[5,5]N[5]O)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]O)	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.6131	0.259	49	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H){1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O)	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	109.3164	1.949	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H)	C[5,5](C[5]C[5]CC)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]CC)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]O)	110.6190	0.000	1	110.6190	0.000	1	109.3520	2.591	4	109.3164	1.949	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H)	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O)	108.9297	1.678	3	108.9297	2.816	3	109.3520	2.591	4	109.3164	1.949	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.5570	3.895	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]O[5])	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	107.5570	3.895	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:2:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO){5|C<3>}	H(C[5]C[5,5]C[6a]O[5])	105.4110	0.000	1	105.4110	0.000	1	105.4110	0.000	1	107.5570	3.895	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,1|S<4>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:3:4:2:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5])	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5]){2|H<1>,9|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4384	0.366	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H){1|N<2>,5|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C){7|C<3>}	H(C[5]C[5,5]C[5]C)	108.3790	0.000	1	108.3790	0.000	1	108.2518	0.278	4	108.4384	0.366	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H){1|N<2>,1|S<1>,4|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S){7|C<3>}	H(C[5]C[5,5]C[5]C)	108.5715	0.161	2	108.5715	0.026	2	108.2518	0.278	4	108.4384	0.366	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO)(H)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]S[5]N)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO)(H){2|N<2>,3|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]S[5]N){6|C<3>}	H(C[5]C[5,5]C[5]C)	107.4850	0.000	1	107.4850	0.000	1	108.2518	0.278	4	108.4384	0.366	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.8170	0.967	2	108.8170	0.936	2	108.8170	0.936	2	108.4384	0.366	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5,6]C)	110.0710	0.000	1	110.0710	0.000	1	110.4665	0.313	2	108.3487	4.236	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C)	110.8620	0.000	1	110.8620	0.000	1	110.4665	0.313	2	108.3487	4.236	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	108.9930	0.752	2	108.9930	0.566	2	108.9930	0.566	2	108.3487	4.236	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C)	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]C[5])	105.6355	0.040	2	105.6355	0.002	2	105.6355	0.002	2	108.3487	4.236	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:2:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.3487	4.236	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a])	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]C[5])	105.7360	0.000	1	105.7360	0.000	1	105.7360	0.000	1	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8890	0.000	2	106.7307	0.075	3	106.7307	0.075	3	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4140	0.000	1	106.7307	0.075	3	106.7307	0.075	3	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.5870	0.000	1	107.8047	0.748	3	107.7454	0.336	7	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9510	0.000	1	107.8047	0.748	3	107.7454	0.336	7	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8760	0.000	1	107.8047	0.748	3	107.7454	0.336	7	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3500	0.089	2	107.3500	0.008	2	107.7454	0.336	7	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5]){2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.0520	0.000	2	108.0520	0.000	2	107.7454	0.336	7	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,1|S<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	107.7078	1.677	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O)	H(C[5]C[5,5a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5,5]C[6a])	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	104.2850	0.000	1	104.2850	0.000	1	104.2850	0.000	1	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	110.1900	0.000	1	110.1900	0.000	1	109.5195	0.899	2	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]P)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]P)(COO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.8490	0.000	1	108.8490	0.000	1	109.5195	0.899	2	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O){1|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.3107	0.155	3	110.3107	0.024	3	110.3107	0.024	3	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.8715	0.764	2	110.8715	0.584	2	110.8715	0.584	2	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.4670	0.339	2	107.4670	0.115	2	107.6110	0.120	3	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.8990	0.000	1	107.8990	0.000	1	107.6110	0.120	3	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,5]N[5]C)	108.9055	0.004	2	108.9055	0.000	2	109.1830	0.260	4	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(CC[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	109.9460	0.000	1	109.9460	0.000	1	109.1830	0.260	4	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:3:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	108.9750	0.000	1	108.9750	0.000	1	109.1830	0.260	4	108.9818	2.870	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.8830	0.835	5	108.7873	1.655	10	108.8076	1.494	11	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.6916	0.159	5	108.7873	1.655	10	108.8076	1.494	11	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.0110	0.000	1	109.0110	0.000	1	108.8076	1.494	11	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]N)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	N[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]N[5])	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]C)	109.0430	0.000	1	109.0430	0.000	1	109.4580	0.344	2	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H){2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]C)	109.8730	0.000	1	109.8730	0.000	1	109.4580	0.344	2	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(COO)(H)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5,5]C[5]H)(N[5]S[5]C)(COO)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	109.5410	0.099	2	109.5410	0.010	2	109.5410	0.010	2	108.9323	1.268	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	109.2845	0.233	2	109.2845	0.054	2	109.4187	0.081	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	109.6870	0.000	1	109.6870	0.000	1	109.4187	0.081	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5a]N[5])	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7350	0.000	1	107.6245	0.024	2	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5140	0.000	1	107.6245	0.024	2	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.2065	1.966	2	108.2065	3.867	2	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.5100	0.000	1	109.5100	0.000	1	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|F<1>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.4600	0.000	1	109.4600	0.000	1	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O){2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3680	0.000	1	108.3680	0.000	1	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Br<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7425	0.511	2	107.7425	0.261	2	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O){2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2140	0.000	1	107.2140	0.000	1	108.1699	1.059	10	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.2420	0.000	1	107.3313	1.071	3	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.4500	0.000	1	107.3313	1.071	3	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.3020	0.000	1	107.3313	1.071	3	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1270	0.000	1	108.1590	0.002	2	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1910	0.000	1	108.1590	0.002	2	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.9150	0.000	1	107.3087	0.117	3	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.5055	0.050	2	107.3087	0.117	3	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9180	0.000	1	106.8805	2.153	2	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	105.8430	0.000	1	106.8805	2.153	2	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|S<2>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.8220	0.000	1	108.8220	0.000	1	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.0930	0.904	2	109.0930	0.817	2	107.7698	1.088	13	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]N[5,5]C)	110.0020	0.000	1	110.0020	0.000	1	109.4610	0.562	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C)	109.7760	0.000	1	109.1905	0.686	2	109.4610	0.562	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C)	108.6050	0.000	1	109.1905	0.686	2	109.4610	0.562	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.7630	0.000	1	107.7630	0.000	1	108.3477	0.466	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	109.0980	0.000	1	108.6400	0.420	2	108.3477	0.466	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.1820	0.000	1	108.6400	0.420	2	108.3477	0.466	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,6]C[6a])	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	108.7810	0.000	1	108.7810	0.000	1	109.6285	1.437	2	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CN[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CN[5]O)(H){1|N<3>,1|O<1>,1|S<1>,2|C<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	110.4760	0.000	1	110.4760	0.000	1	109.6285	1.437	2	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.8935	0.138	2	108.8935	0.019	2	108.5570	0.349	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.8840	0.000	1	107.8840	0.000	1	108.5570	0.349	3	108.3561	1.116	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[5])	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	108.5613	0.818	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	108.5613	0.818	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	108.5613	0.818	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3){1|S<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.0880	0.000	1	108.0880	0.000	1	108.2590	0.058	2	108.5613	0.818	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,1|S<4>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.4300	0.000	1	108.4300	0.000	1	108.2590	0.058	2	108.5613	0.818	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	108.5613	0.818	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	109.5277	1.296	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:S[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5]){5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.0357	0.630	3	110.0357	0.397	3	110.0357	0.397	3	109.5277	1.296	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:2:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.8557	0.496	3	105.8557	0.246	3	105.8557	0.246	3	105.8557	0.246	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:2:4:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1530	0.035	2	107.1530	0.001	2	107.4177	0.211	3	107.4177	0.211	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:2:4:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9470	0.000	1	107.9470	0.000	1	107.4177	0.211	3	107.4177	0.211	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5]){5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H)	C[5,5](C[5]C[5]CH)(C[5]N[5]S)(N[5]C[5]C)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H){1|C<3>,1|S<1>,4|C<4>}	C[5,5](C[5]C[5]CH)(C[5]N[5]S)(N[5]C[5]C)2{2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.4560	0.000	1	107.4560	0.000	1	107.4560	0.000	1	108.2282	2.188	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O){6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	108.2282	2.188	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H){1|P<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	108.2282	2.188	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O){1|Br<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1850	0.000	1	107.1850	0.000	1	107.2403	0.208	3	108.2282	2.188	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O){1|Br<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2680	0.642	2	107.2680	0.412	2	107.2403	0.208	3	108.2282	2.188	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4710	0.204	2	106.4710	0.041	2	106.4710	0.041	2	108.0242	3.233	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	108.0242	3.233	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:1:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	108.0242	3.233	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3715	1.955	2	108.4277	1.921	3	108.4277	1.921	3	108.4277	1.921	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.5400	0.000	1	108.4277	1.921	3	108.4277	1.921	3	108.4277	1.921	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.7640	0.000	1	110.7640	0.000	1	108.7375	8.213	2	108.4942	3.087	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7110	0.000	1	106.7110	0.000	1	108.7375	8.213	2	108.4942	3.087	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|S<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.2510	0.901	2	108.2510	0.812	2	108.2510	0.812	2	108.4942	3.087	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|C<4>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H){11|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.3185	0.142	2	108.3185	0.020	2	108.3185	0.020	2	108.4960	0.105	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:3:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	108.4960	0.105	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(NCH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(NCH)(H){1|C<3>,2|C<4>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]N)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:2:2:	4:	C[5,5]-4:N[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H)	C[5,5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(N[5]C[5])(O[5]C[5])	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	H(C[5]C[5,5]N[5a]C[5])	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:2:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:N-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(O[5]C[5,6a])(NOO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(O[5]C[5,6a])(NOO){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:2:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|O<1>,1|S<4>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5]C)	110.1948	0.754	10	110.1948	0.569	10	109.9580	0.944	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H)	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.8000	0.000	1	107.8000	0.000	1	109.9580	0.944	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]O)(H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]O)(H){1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H){1|N<3>,1|S<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	109.7480	0.000	1	109.7480	0.000	1	109.9580	0.944	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[5]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]C)	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]N)	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]N)	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	H(C[5]C[5,5]C[5a]N[5])	107.2670	0.000	1	107.0787	7.982	3	107.0787	7.982	3	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	H(C[5]C[5,5]C[5a]N[5])	104.1640	0.000	1	107.0787	7.982	3	107.0787	7.982	3	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5,5]C[5a]N[5])	109.8050	0.000	1	107.0787	7.982	3	107.0787	7.982	3	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5a]N[5])	109.3995	0.340	2	109.3995	0.116	2	109.0433	0.455	4	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5a]N[5])	108.6870	0.861	2	108.6870	0.742	2	109.0433	0.455	4	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[6a]C[5])	104.1060	0.000	1	104.1060	0.000	1	104.1060	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[6a]N[5])	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.9830	0.000	1	108.1515	1.383	2	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	107.3200	0.000	1	108.1515	1.383	2	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.4190	0.164	2	108.4190	0.027	2	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]N[5])	106.0740	0.000	1	107.6407	3.376	8	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.4330	0.000	2	107.6407	3.376	8	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	105.6480	0.000	1	107.6407	3.376	8	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	105.2770	0.000	1	107.6407	3.376	8	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.7210	0.000	1	107.6407	3.376	8	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.1240	0.000	1	107.6407	3.376	8	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.4160	0.000	1	107.6407	3.376	8	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.2580	0.161	2	108.2580	0.026	2	107.9131	2.040	14	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]N[5,5]C)	110.2550	0.000	1	110.2550	0.000	1	109.4305	1.360	2	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H)	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,1|S<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[5]C[5,5]N[5,5]C)	108.6060	0.000	1	108.6060	0.000	1	109.4305	1.360	2	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[5a])	106.9535	2.329	2	106.9535	5.422	2	106.7470	4.104	5	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[5a])	107.1745	2.989	2	107.1745	8.934	2	106.7470	4.104	5	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[5a])	105.4790	0.000	1	105.4790	0.000	1	106.7470	4.104	5	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[6a])	108.9660	0.000	1	108.7205	0.416	4	108.7408	0.291	6	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[6a])	107.8130	0.000	1	108.7205	0.416	4	108.7408	0.291	6	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[6a])	108.7830	0.000	1	108.7205	0.416	4	108.7408	0.291	6	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[6a])	109.3200	0.000	1	108.7205	0.416	4	108.7408	0.291	6	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	109.0990	0.000	1	109.0990	0.000	1	108.7408	0.291	6	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.4640	0.000	1	108.4640	0.000	1	108.7408	0.291	6	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]N[5,6]C[6a])	108.7510	0.000	1	108.7510	0.000	1	108.5430	0.087	2	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]N[5,6]C[6a])	108.3350	0.000	1	108.3350	0.000	1	108.5430	0.087	2	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]N[5]C)	109.0330	0.000	1	109.0330	0.000	1	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]N[5]C)	108.5280	0.000	1	109.4750	0.789	3	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]C)	109.9485	0.482	2	109.4750	0.789	3	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]N[5]C)	110.4090	0.000	1	110.4090	0.000	1	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	109.0905	0.456	2	109.0905	0.208	2	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]N[5]C)	107.2970	0.000	1	108.0270	1.066	2	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.7570	0.000	1	108.0270	1.066	2	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]N[5]C)	110.2160	0.288	2	110.2160	0.083	2	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]O[5]O)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]N[5]C)	110.3650	0.000	1	110.3650	0.000	1	109.4083	0.939	12	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5a]N[5])	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	108.6873	2.720	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5]){7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.3220	0.000	1	110.3220	0.000	1	110.0435	0.155	2	109.0983	1.890	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.7650	0.000	1	109.7650	0.000	1	110.0435	0.155	2	109.0983	1.890	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	109.0983	1.890	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.0983	1.890	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O){6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	107.7918	0.844	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3205	0.532	2	108.3205	0.284	2	108.3205	0.284	2	107.7918	0.844	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	107.7918	0.844	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	107.7918	0.844	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:3:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H)	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]C)	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	107.7918	0.844	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)(H){2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5]C)	109.6412	0.564	4	109.6412	0.318	4	109.6412	0.318	4	109.0233	0.530	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[3,5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H)	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H){1|H<1>,1|W<6>,3|C<3>,3|C<4>}	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	H(C[5]C[5,5]C[5a]N[5])	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	109.0233	0.530	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.9115	0.180	2	108.9115	0.033	2	108.9115	0.033	2	109.0233	0.530	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	109.0233	0.530	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:3:4:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH){1|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	109.0233	0.530	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[6]-3:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H)	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C[6])	105.2060	0.000	2	105.2060	0.000	2	105.2060	0.000	2	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.7435	0.565	2	108.7435	0.319	2	108.7435	0.319	2	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]H)(H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]N)	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H){1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5a]N[5])	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|I<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.7920	0.000	1	109.7710	0.001	2	109.7710	0.001	2	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.7500	0.000	1	109.7710	0.001	2	109.7710	0.001	2	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.1530	0.000	1	108.1530	0.000	1	108.4097	0.049	3	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.5380	0.000	2	108.5380	0.000	2	108.4097	0.049	3	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]CH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]N[5]C)	109.4830	0.000	1	109.4830	0.000	1	110.0512	3.596	4	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]C)	112.8660	0.000	1	112.8660	0.000	1	110.0512	3.596	4	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.9280	0.134	2	108.9280	0.018	2	110.0512	3.596	4	108.8406	2.843	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6a]2C[5,5])	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]2C[5,5])	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	107.8516	0.677	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4160	0.000	1	107.4160	0.000	1	107.4160	0.000	1	107.8516	0.677	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO){1|H<1>,1|S<4>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	107.8516	0.677	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.0340	0.000	1	109.0340	0.000	1	107.9530	2.337	2	107.8516	0.677	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O){3|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.8720	0.000	1	106.8720	0.000	1	107.9530	2.337	2	107.8516	0.677	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:3:1:	4:4:4:4:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(COO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H){1|S<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(COO){1|H<1>,3|C<3>,3|O<1>}	H(C[5]C[5,5]C[5]C)	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	107.0597	2.928	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	107.0597	2.928	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H){2|C<4>,4|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C){4|C<3>}	H(C[5]C[5,5]C[5]C)	110.8240	0.000	1	110.8240	0.000	1	108.4570	11.205	2	107.0597	2.928	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]S[5]N)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H){1|N<2>,2|C<3>,2|C<4>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]S[5]N){3|C<3>}	H(C[5]C[5,5]C[5]C)	106.0900	0.000	1	106.0900	0.000	1	108.4570	11.205	2	107.0597	2.928	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5a]C[5])	106.4305	0.240	2	106.4305	0.057	2	106.4305	0.057	2	107.0597	2.928	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.8200	0.000	1	105.8200	0.000	1	105.8200	0.000	1	107.0597	2.928	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:4:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	107.6290	0.081	2	107.6290	0.006	2	107.6290	0.006	2	107.3898	0.368	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H){1|C<4>,2|O<1>,4|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4910	0.000	1	106.4910	0.000	1	106.4910	0.000	1	107.3898	0.368	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:3:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]C)	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	107.3898	0.368	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H){2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	108.3247	0.825	4	108.3247	0.681	4	108.3247	0.681	4	108.3247	0.681	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5440	0.668	4	107.5440	0.447	4	107.5440	0.447	4	107.5440	0.447	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5])	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C)	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	107.2111	0.236	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6380	0.000	1	106.6380	0.000	1	106.6380	0.000	1	107.2111	0.236	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8890	0.000	1	107.3475	0.193	11	107.3217	0.184	12	107.2111	0.236	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3370	0.421	9	107.3475	0.193	11	107.3217	0.184	12	107.2111	0.236	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9000	0.000	1	107.3475	0.193	11	107.3217	0.184	12	107.2111	0.236	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0390	0.000	1	107.0390	0.000	1	107.3217	0.184	12	107.2111	0.236	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]2)	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[5a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H){1|N<3>,1|S<1>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]2C[5a])	101.6490	0.000	1	101.6490	0.000	1	101.6490	0.000	1	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5a]C[5])	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6490	0.000	1	106.6490	0.000	1	106.0476	1.972	5	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.5870	0.160	2	104.5870	0.026	2	106.0476	1.972	5	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.6860	0.000	1	106.6860	0.000	1	106.0476	1.972	5	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7290	0.000	1	107.7290	0.000	1	106.0476	1.972	5	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0875	0.033	2	106.0875	0.001	2	106.2747	0.752	9	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.2100	0.000	1	104.2100	0.000	1	106.2747	0.752	9	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1600	0.000	1	107.1600	0.000	1	106.2747	0.752	9	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3660	0.057	2	106.5053	0.060	3	106.2747	0.752	9	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7840	0.000	1	106.5053	0.060	3	106.2747	0.752	9	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3560	0.000	1	106.3560	0.000	1	106.2747	0.752	9	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0550	0.000	1	107.0550	0.000	1	106.2747	0.752	9	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2){3|O<1>,5|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8645	0.056	2	106.8645	0.003	2	106.8645	0.003	2	106.1863	2.240	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	110.2110	0.000	1	110.2110	0.000	1	109.3223	0.741	3	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|C<4>,2|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.4920	0.000	1	108.4920	0.000	1	109.3223	0.741	3	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	109.2640	0.000	1	109.2640	0.000	1	109.3223	0.741	3	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5a]C[5])	107.9820	0.806	2	107.9820	0.650	2	107.9820	0.650	2	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.5890	0.000	1	104.5890	0.000	1	104.5890	0.000	1	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	H(C[5]C[5,5]N[5]C)	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	109.8245	0.233	2	109.8245	0.054	2	109.8245	0.054	2	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[5,5]N[5]C)	110.6313	0.468	3	110.6313	0.219	3	110.2066	0.448	5	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[5,5]N[5]C)	109.5695	0.042	2	109.5695	0.002	2	110.2066	0.448	5	109.4118	3.188	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC){1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4490	0.000	1	106.4490	0.000	1	106.4490	0.000	1	108.0910	5.392	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]N[5]C)	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	108.0910	5.392	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.9445	0.738	2	107.9445	0.544	2	107.8945	1.099	8	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.5160	0.000	1	108.5160	0.000	1	107.8945	1.099	8	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	106.8260	0.406	2	106.8260	0.165	2	107.8945	1.099	8	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.3810	0.000	1	107.3810	0.000	1	107.8945	1.099	8	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.9040	0.000	1	108.8590	2.184	2	107.8945	1.099	8	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.8140	0.000	1	108.8590	2.184	2	107.8945	1.099	8	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9960	0.376	2	106.9960	0.142	2	106.9960	0.142	2	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.0895	0.325	4	104.0895	0.105	4	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.9900	0.000	1	104.9900	0.000	1	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	104.4030	0.143	2	104.4030	0.020	2	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2860	0.000	1	107.2340	0.005	2	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1820	0.000	1	107.2340	0.005	2	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.4560	1.404	4	104.4560	1.973	4	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2300	0.000	1	107.0040	0.785	5	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2123	1.057	3	107.0040	0.785	5	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.1530	0.000	1	107.0040	0.785	5	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.5760	0.000	1	109.1593	0.132	3	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.9510	0.058	2	109.1593	0.132	3	105.9497	3.895	21	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]C)	109.6170	0.000	1	109.6170	0.000	1	108.9290	0.947	2	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]C)	108.2410	0.000	1	108.2410	0.000	1	108.9290	0.947	2	106.6652	3.636	34	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H){1|S<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5a]C[5])	107.5630	0.086	2	107.5630	0.007	2	107.5630	0.007	2	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5985	0.588	2	106.5985	0.345	2	106.5985	0.345	2	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	102.6340	0.000	1	102.6340	0.000	1	105.1147	2.248	7	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	103.8090	0.000	1	103.8090	0.000	1	105.1147	2.248	7	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5610	0.000	1	105.8720	0.690	5	105.1147	2.248	7	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7630	1.029	3	105.8720	0.690	5	105.1147	2.248	7	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.5100	0.000	1	105.8720	0.690	5	105.1147	2.248	7	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:S[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.1870	0.000	1	105.1870	0.000	1	105.1870	0.000	1	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]C)	108.9380	0.308	2	108.9380	0.095	2	108.9380	0.095	2	106.2278	3.248	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:2:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4360	0.000	1	107.4360	0.000	1	107.2175	0.095	2	108.3483	1.823	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:2:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9990	0.000	1	106.9990	0.000	1	107.2175	0.095	2	108.3483	1.823	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:2:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H)	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,5]N[5]C)	109.1190	0.000	1	109.1190	0.000	1	109.4790	0.259	2	108.3483	1.823	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:2:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H)	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,5]N[5]C)	109.8390	0.000	1	109.8390	0.000	1	109.4790	0.259	2	108.3483	1.823	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:2:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0640	0.626	2	106.0640	0.392	2	106.0640	0.392	2	106.0640	0.392	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:2:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]C[5])	105.7770	0.000	1	105.7770	0.000	1	106.1453	0.331	3	106.8580	2.252	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8080	0.000	1	106.8080	0.000	1	106.1453	0.331	3	106.8580	2.252	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.8510	0.000	1	105.8510	0.000	1	106.1453	0.331	3	106.8580	2.252	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.9960	0.000	1	108.9960	0.000	1	108.9960	0.000	1	106.8580	2.252	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	105.8750	7.318	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	102.8220	0.000	1	102.8220	0.000	1	105.3980	13.272	2	105.8750	7.318	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9740	0.000	1	107.9740	0.000	1	105.3980	13.272	2	105.8750	7.318	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.5470	0.000	1	104.5470	0.000	1	104.5470	0.000	1	105.9232	0.908	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:3:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3820	0.315	3	106.3820	0.099	3	106.3820	0.099	3	105.9232	0.908	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.4506	0.314	5	108.4506	0.099	5	108.4506	0.099	5	108.3880	0.831	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|C<2>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.5110	0.000	1	108.7955	0.162	2	108.7955	0.162	2	108.3880	0.831	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.0800	0.000	1	108.7955	0.162	2	108.7955	0.162	2	108.3880	0.831	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3240	0.000	1	107.3240	0.000	1	108.1060	2.361	4	108.3880	0.831	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3420	0.000	1	107.9820	5.379	2	108.1060	2.361	4	108.3880	0.831	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.6220	0.000	1	107.9820	5.379	2	108.1060	2.361	4	108.3880	0.831	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.1360	0.000	1	109.1360	0.000	1	108.1060	2.361	4	108.3880	0.831	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-3:C-4:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]C)	106.8920	0.000	1	106.8920	0.000	1	106.8920	0.000	1	105.9682	1.487	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,3|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a]){1|O<2>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.5260	0.000	1	105.5260	0.000	1	105.6603	1.661	3	105.9682	1.487	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]S[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|S<2>,2|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]S[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a]){1|O<2>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7275	1.815	2	105.7275	3.295	2	105.6603	1.661	3	105.9682	1.487	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1820	0.000	1	107.0155	0.055	2	107.0155	0.055	2	106.6398	3.580	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8490	0.000	1	107.0155	0.055	2	107.0155	0.055	2	106.6398	3.580	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|N<2>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4990	0.181	2	107.4990	0.033	2	107.4990	0.033	2	106.6398	3.580	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.8025	0.404	2	108.8025	0.163	2	106.2282	5.871	6	106.6398	3.580	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	104.5485	0.520	2	104.5485	0.270	2	106.2282	5.871	6	106.6398	3.580	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	103.2810	0.000	1	103.2810	0.000	1	106.2282	5.871	6	106.6398	3.580	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3860	0.000	1	107.3860	0.000	1	106.2282	5.871	6	106.6398	3.580	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H){1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5,5]C)	110.3075	1.029	2	109.6850	1.692	3	109.5985	0.690	6	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	H(C[5]C[5,5]N[5,5]C)	108.4400	0.000	1	109.6850	1.692	3	109.5985	0.690	6	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5,5]C)	109.5500	0.000	1	109.5500	0.000	1	109.5985	0.690	6	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C)	109.5970	0.000	1	109.5970	0.000	1	109.5985	0.690	6	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]N[5,5]C)	109.3890	0.000	1	109.3890	0.000	1	109.5985	0.690	6	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,6]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,6]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5,6]C)	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]C)	108.0890	0.000	1	107.8355	0.129	2	109.2960	0.612	16	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]C)	107.5820	0.000	1	107.8355	0.129	2	109.2960	0.612	16	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]C)	109.2070	0.000	1	109.2070	0.000	1	109.2960	0.612	16	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.5110	0.000	1	108.5110	0.000	1	109.2960	0.612	16	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]C)	110.1102	0.378	4	110.1102	0.143	4	109.2960	0.612	16	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,5]N[5]C)	109.6250	0.312	4	109.6250	0.098	4	109.2960	0.612	16	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,5]N[5]C)	109.1015	0.258	4	109.1015	0.067	4	109.2960	0.612	16	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5,5]N[5a]C[5])	110.5350	0.063	3	110.5350	0.004	3	110.5350	0.004	3	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H)	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5,5]N[5a]C[5])	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	109.4168	0.734	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC){6|H<1>}	H(C[5]C[5,5]C[5]C)	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	108.0900	3.898	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5,5]N[5]C)	107.4980	0.000	1	107.4980	0.000	1	108.8840	0.994	4	108.0900	3.898	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){2|H<1>,2|O<1>,4|C<4>}	H(C[5]C[5,5]N[5]C)	109.6060	0.124	2	109.6060	0.015	2	108.8840	0.994	4	108.0900	3.898	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:2:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,5]N[5]C)	108.8260	0.000	1	108.8260	0.000	1	108.8840	0.994	4	108.0900	3.898	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:2:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CH)(N[5]N[5])(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CH)(N[5]N[5])(COO){1|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]C)	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	105.9550	0.000	1	105.9550	0.000	1	107.8900	4.305	3	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	107.6340	0.000	1	107.6340	0.000	1	107.8900	4.305	3	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]C)	110.0810	0.000	1	110.0810	0.000	1	107.8900	4.305	3	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.5380	0.000	1	108.5380	0.000	1	108.2689	1.259	8	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]C)	105.5150	0.000	1	105.5150	0.000	1	108.2689	1.259	8	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]C)	108.8360	0.000	1	108.6570	0.064	2	108.2689	1.259	8	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]N[5]C)	108.4780	0.000	1	108.6570	0.064	2	108.2689	1.259	8	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]C)	108.5860	0.000	1	108.5860	0.000	1	108.2689	1.259	8	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5]C)	108.7420	0.205	2	108.7420	0.042	2	108.2689	1.259	8	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]N[5]C)	108.7140	0.000	1	108.7140	0.000	1	108.2689	1.259	8	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H){1|S<4>,6|H<1>}	H(C[5]C[5,5]N[5]C)	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	108.1831	1.730	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5a]C[5])	106.3760	0.465	2	106.3760	0.216	2	106.3760	0.216	2	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)(N[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7840	0.000	1	106.7840	0.000	1	107.1133	0.095	3	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>,4|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1610	0.000	1	107.2780	0.027	2	107.1133	0.095	3	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3950	0.000	1	107.2780	0.027	2	107.1133	0.095	3	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5610	0.000	1	106.5610	0.000	1	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.1800	0.134	2	106.1800	0.018	2	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5170	0.000	1	106.7713	0.049	3	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8985	0.001	2	106.7713	0.049	3	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8270	0.143	2	106.5065	0.137	13	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7370	0.260	3	106.5065	0.137	13	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3400	0.358	8	106.5065	0.137	13	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3135	0.243	2	106.3135	0.059	2	106.4975	0.116	21	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.2770	0.000	1	104.2770	0.000	1	105.6400	3.716	2	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,5|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0030	0.000	1	107.0030	0.000	1	105.6400	3.716	2	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8980	0.272	2	106.8980	0.074	2	106.7087	0.144	3	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3300	0.000	1	106.3300	0.000	1	106.7087	0.144	3	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a]){2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.8620	0.000	1	104.8620	0.000	1	106.0360	2.757	2	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a]){2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2100	0.000	1	107.2100	0.000	1	106.0360	2.757	2	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8760	0.000	1	106.4660	0.146	3	106.5540	0.128	4	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.2610	0.199	2	106.4660	0.146	3	106.5540	0.128	4	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]C[5])	106.8180	0.000	1	106.8180	0.000	1	106.5540	0.128	4	106.5678	0.462	39	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5a]-3:C[5,5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S)	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H){1|N<3>,1|S<1>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]2C[5a])	105.0230	0.000	1	105.0230	0.000	1	105.0230	0.000	1	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2303	0.634	3	107.2303	0.402	3	106.7746	0.270	8	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4707	0.153	4	106.5012	0.022	5	106.7746	0.270	8	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6230	0.000	1	106.5012	0.022	5	106.7746	0.270	8	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1180	0.000	1	108.1180	0.000	1	108.1180	0.000	1	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H){2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7905	0.211	2	106.7905	0.045	2	107.1411	2.077	10	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9950	0.000	1	106.9950	0.000	1	107.1411	2.077	10	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8605	1.133	2	106.8605	1.285	2	107.1411	2.077	10	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.7065	0.558	2	105.7065	0.311	2	107.1411	2.077	10	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.5780	0.530	2	109.5780	0.281	2	107.1411	2.077	10	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5450	0.000	1	106.5450	0.000	1	107.1411	2.077	10	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]N[5]H)(COO)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H){1|C<3>,1|N<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]N[5]H)(COO){1|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]C)	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	106.9204	1.386	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	106.7027	0.038	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	106.7027	0.038	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	106.7027	0.038	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H)	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H){3|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]C)	110.3605	0.013	2	110.3605	0.000	2	109.2623	3.618	3	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.0660	0.000	1	107.0660	0.000	1	109.2623	3.618	3	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	104.3010	0.000	1	104.3010	0.000	1	104.3010	0.000	1	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	107.6680	0.000	1	107.8855	0.095	2	107.8855	0.095	2	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.1030	0.000	1	107.8855	0.095	2	107.8855	0.095	2	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H)	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H){1|Cl<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2Cl)(C[5]C[5]CH)(C[5]O[5]CC)(H){1|Cl<1>,1|C<3>,2|O<2>}	H(C[5]C[5,5]C[5]C)	109.9810	0.000	1	109.9810	0.000	1	108.8040	1.768	8	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H){2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]C)	110.3420	0.190	2	110.3420	0.036	2	108.8040	1.768	8	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.2730	0.000	1	107.2730	0.000	1	108.8040	1.768	8	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.6680	0.205	2	107.6680	0.042	2	108.8040	1.768	8	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	109.3380	0.000	1	109.3380	0.000	1	108.8040	1.768	8	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]C)	107.8200	0.000	1	107.8200	0.000	1	108.8040	1.768	8	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	110.9725	0.521	2	110.9725	0.272	2	110.9725	0.272	2	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7220	0.164	2	107.7220	0.027	2	107.9675	0.841	4	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1510	0.000	1	107.1510	0.000	1	107.9675	0.841	4	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.2750	0.000	1	109.2750	0.000	1	107.9675	0.841	4	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	H(C[5]C[5,5]N[5]C)	107.6060	0.000	1	107.6060	0.000	1	107.4737	0.020	3	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]C)	107.4075	0.121	2	107.4075	0.015	2	107.4737	0.020	3	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<4>,7|H<1>}	H(C[5]C[5,5]N[5]C)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]C)	107.0100	0.000	1	107.0100	0.000	1	108.2255	2.955	2	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[5,5]N[5]C)	109.4410	0.000	1	109.4410	0.000	1	108.2255	2.955	2	108.4212	2.345	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H)	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.8965	2.617	2	108.8965	6.849	2	108.8965	6.849	2	108.0653	2.974	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]C)	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	108.0653	2.974	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6735	0.267	2	108.6735	0.071	2	108.6735	0.071	2	108.0653	2.974	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:2:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.7080	0.000	1	105.7080	0.000	1	105.7080	0.000	1	108.0653	2.974	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H){1|C<2>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]C)	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6450	0.000	1	106.6450	0.000	1	106.7301	0.055	14	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7625	0.110	2	106.7625	0.012	2	106.7301	0.055	14	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6750	0.000	1	106.5695	0.022	2	106.7301	0.055	14	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4640	0.000	1	106.5695	0.022	2	106.7301	0.055	14	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5670	0.000	1	106.5670	0.000	1	106.7301	0.055	14	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3610	0.000	1	106.7931	0.079	8	106.7301	0.055	14	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7120	0.177	7	106.7931	0.079	8	106.7301	0.055	14	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O){3|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3970	0.000	1	106.3970	0.000	1	105.5050	1.591	2	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){2|C<3>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	104.6130	0.000	1	104.6130	0.000	1	105.5050	1.591	2	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H)	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]O[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]C)	110.2120	0.000	1	110.2120	0.000	1	109.5800	0.799	2	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:3:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H)	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O)	H(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O){1|S<4>,6|H<1>}	H(C[5]C[5,5]N[5]C)	108.9480	0.000	1	108.9480	0.000	1	109.5800	0.799	2	106.9632	1.235	20	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H)	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|Co<6>,1|C<3>,1|O<1>}	H(C[5]C[5,5]C[5]C)	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	108.0314	2.178	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:P[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(P[5]C[5]FW)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|F<1>,1|O<2>,1|W<6>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(P[5]C[5]FW)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	108.0314	2.178	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClCr)(C[5]C[5]CH)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Cr<6>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClCr)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	109.3030	0.000	1	109.3030	0.000	1	109.2215	0.013	2	108.0314	2.178	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:P[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClMo)(C[5]C[5]CH)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Mo<6>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClMo)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	109.1400	0.000	1	109.1400	0.000	1	109.2215	0.013	2	108.0314	2.178	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	108.0314	2.178	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	2:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[5]-2:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9153	0.056	6	110.9153	0.003	6	110.9153	0.003	6	110.9153	0.003	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8600	0.072	2	110.8600	0.005	2	110.8600	0.005	2	110.8600	0.005	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:2:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(H)2	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(H)2{1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.5252	0.101	4	110.5252	0.010	4	110.7256	0.050	8	110.7256	0.050	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:2:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9260	0.020	4	110.9260	0.000	4	110.7256	0.050	8	110.7256	0.050	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9718	0.022	4	110.9718	0.000	4	110.9718	0.000	4	110.6751	0.300	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH){1|Br<1>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	109.8180	0.023	4	109.8180	0.001	4	109.8180	0.001	4	110.6751	0.300	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.3260	0.004	2	111.3260	0.000	2	111.3260	0.000	2	110.6751	0.300	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6365	0.071	2	110.6365	0.005	2	110.6365	0.005	2	110.6751	0.300	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[5]C)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3420	0.082	2	110.3420	0.007	2	110.3420	0.007	2	110.6751	0.300	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1605	0.019	2	111.1605	0.000	2	111.1605	0.000	2	110.6751	0.300	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0310	0.066	2	111.0310	0.004	2	111.0310	0.004	2	110.6751	0.300	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.2290	0.016	2	111.2290	0.000	2	111.2290	0.000	2	112.3342	3.929	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	113.4395	2.627	2	113.4395	6.901	2	113.4395	6.901	2	112.3342	3.929	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5]){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1775	0.036	2	111.1775	0.001	2	111.1775	0.001	2	110.9108	0.048	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5]){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1875	0.037	2	111.1875	0.001	2	111.1875	0.001	2	110.9108	0.048	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.7935	0.023	2	110.7463	0.007	6	110.8331	0.033	14	110.9108	0.048	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.7227	0.095	4	110.7463	0.007	6	110.8331	0.033	14	110.9108	0.048	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8983	0.212	8	110.8983	0.045	8	110.8331	0.033	14	110.9108	0.048	18	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O){3|H<1>,7|C<3>}	H(C[5]C[5,5]2H)	110.6188	0.040	4	110.6188	0.002	4	110.6188	0.002	4	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9470	0.057	4	110.9470	0.003	4	110.9470	0.003	4	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|S<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	109.8565	0.035	2	109.8565	0.001	2	110.1697	0.132	4	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.4830	0.035	2	110.4830	0.001	2	110.1697	0.132	4	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.7801	0.067	7	110.7801	0.004	7	110.7277	0.014	9	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5440	0.035	2	110.5440	0.001	2	110.7277	0.014	9	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.3653	0.089	3	110.3653	0.008	3	110.5944	0.110	5	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9380	0.174	2	110.9380	0.030	2	110.5944	0.110	5	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5775	0.040	2	110.5775	0.002	2	110.5775	0.002	2	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.1470	0.018	2	111.1470	0.000	2	111.1470	0.000	2	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8960	0.000	1	110.8945	0.006	13	110.8945	0.006	13	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8265	0.059	4	110.8945	0.006	13	110.8945	0.006	13	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9284	0.063	8	110.8945	0.006	13	110.8945	0.006	13	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1970	0.006	2	111.1970	0.000	2	110.9458	0.084	4	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6945	0.029	2	110.6945	0.001	2	110.9458	0.084	4	110.7389	0.088	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]N[5])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2{2|N<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]N[5])2(C[5]C[5]HH)2{2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.0270	0.017	2	110.0270	0.000	2	110.0270	0.000	2	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4610	0.008	2	111.4610	0.000	2	111.4610	0.000	2	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|Br<1>,4|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.0354	0.085	7	109.9986	0.174	52	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|H<1>,4|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	109.9679	0.513	34	109.9986	0.174	52	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|C<4>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.0702	0.089	11	109.9986	0.174	52	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6553	0.180	7	110.7616	0.028	30	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7830	0.154	21	110.7616	0.028	30	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.9085	0.006	2	110.7616	0.028	30	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3604	0.207	7	110.3604	0.043	7	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6820	0.107	3	110.6820	0.011	3	110.2972	0.237	92	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.4415	0.044	4	110.4415	0.002	4	110.4415	0.002	4	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3005	0.046	2	111.3005	0.002	2	111.3005	0.002	2	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2{2|H<1>,5|C<3>}	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4320	0.024	2	110.4320	0.001	2	110.4320	0.001	2	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	109.3907	3.597	4	109.3907	12.939	4	109.3907	12.939	4	110.3135	0.632	110	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2{2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.1198	0.041	6	111.1198	0.002	6	111.1198	0.002	6	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2{4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.3338	0.065	4	111.3338	0.004	4	110.8971	0.140	12	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7480	0.066	2	110.7480	0.004	2	110.8971	0.140	12	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8150	0.016	2	110.8150	0.000	2	110.8971	0.140	12	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8425	0.016	2	110.8425	0.000	2	110.8971	0.140	12	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3095	0.030	2	110.3095	0.001	2	110.8971	0.140	12	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2{1|O<1>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	109.8950	0.139	2	109.8950	0.019	2	109.8950	0.019	2	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H){1|Se<1>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6675	0.023	2	110.6675	0.001	2	110.6675	0.001	2	110.8459	0.187	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.7350	0.033	2	110.7350	0.001	2	110.7350	0.001	2	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2{2|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3035	0.029	2	111.3035	0.001	2	111.3035	0.001	2	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3155	0.029	2	111.3155	0.001	2	110.9632	0.056	10	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2{6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8960	0.044	2	110.8960	0.002	2	110.9632	0.056	10	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.7537	0.098	4	110.7537	0.010	4	110.9632	0.056	10	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2{4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.0970	0.027	2	111.0970	0.001	2	110.9632	0.056	10	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	112.3040	1.581	4	112.3040	2.499	4	112.3040	2.499	4	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2{1|O<2>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.1917	0.114	4	111.1917	0.013	4	111.2465	0.010	8	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2{1|O<2>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.3012	0.046	4	111.3012	0.002	4	111.2465	0.010	8	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:N[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.7125	0.006	2	110.7125	0.000	2	110.7125	0.000	2	111.2258	0.535	28	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.5740	0.006	2	110.5740	0.000	2	110.6393	0.006	4	110.7862	0.055	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7045	0.012	2	110.7045	0.000	2	110.6393	0.006	4	110.7862	0.055	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O[5]-2:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C){2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0800	0.011	2	111.0800	0.000	2	111.0800	0.000	2	110.7862	0.055	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1368	0.059	4	111.1368	0.003	4	110.9135	0.083	8	110.7456	0.141	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8965	0.033	2	110.8965	0.001	2	110.9135	0.083	8	110.7456	0.141	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.4840	0.010	2	110.4840	0.000	2	110.9135	0.083	8	110.7456	0.141	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:Se[5]-2:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3){1|Se<1>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.2980	0.024	3	110.2980	0.001	3	110.2980	0.001	3	110.7456	0.141	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.4320	0.035	2	111.4320	0.001	2	111.4320	0.001	2	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H){1|N<2>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.0015	0.032	2	111.0015	0.001	2	111.0015	0.001	2	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.2097	3.310	6	111.2097	10.956	6	111.2097	10.956	6	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8430	0.028	2	111.0549	0.065	12	111.0549	0.065	12	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6430	0.052	2	111.0549	0.065	12	111.0549	0.065	12	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2109	0.111	8	111.0549	0.065	12	111.0549	0.065	12	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2117	0.163	3	111.2117	0.027	3	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1075	0.215	4	111.1075	0.046	4	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,1|S<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.5020	0.014	2	111.5020	0.000	2	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9755	0.009	2	110.9755	0.000	2	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4355	0.093	11	111.4355	0.009	11	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	109.6940	0.998	2	109.6940	0.997	2	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,1|P<4>,2|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|Rh<5>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5553	0.316	4	110.5553	0.100	4	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.4515	0.008	2	111.4515	0.000	2	111.1107	0.296	30	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9635	0.006	2	111.0840	0.020	4	111.0840	0.020	4	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.2045	0.037	2	111.0840	0.020	4	111.0840	0.020	4	111.1150	1.172	56	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6045	0.008	2	110.6123	0.000	4	110.6123	0.000	4	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6200	0.024	2	110.6123	0.000	4	110.6123	0.000	4	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.2775	0.023	2	110.3150	0.002	4	110.7144	0.185	8	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3525	0.009	2	110.3150	0.002	4	110.7144	0.185	8	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1500	0.031	2	111.1500	0.001	2	110.7144	0.185	8	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.0775	0.064	2	111.0775	0.004	2	110.7144	0.185	8	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3995	0.013	2	111.3995	0.000	2	111.3995	0.000	2	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8048	0.079	5	110.8048	0.006	5	110.8013	0.005	6	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.7840	0.000	1	110.7840	0.000	1	110.8013	0.005	6	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4640	0.011	2	110.4640	0.000	2	110.4640	0.000	2	110.7590	0.116	22	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.6325	0.033	2	111.6325	0.001	2	111.6325	0.001	2	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|I<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.2660	0.028	2	110.2660	0.001	2	110.9165	0.567	21	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8975	0.004	4	110.8975	0.000	4	110.9165	0.567	21	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.0640	0.962	12	111.0640	0.925	12	110.9165	0.567	21	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7630	0.000	1	110.7630	0.000	1	110.9165	0.567	21	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7970	0.008	2	110.7970	0.000	2	110.9165	0.567	21	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5839	0.092	8	110.6013	0.007	11	110.6418	0.368	17	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6477	0.010	3	110.6013	0.007	11	110.6418	0.368	17	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1135	0.036	4	111.1135	0.001	4	110.6418	0.368	17	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	109.9215	1.966	2	109.9215	3.867	2	110.6418	0.368	17	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:S[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,3|O<1>}	H(C[5]C[5,5]S[5]H)	111.9820	1.723	2	111.9820	2.967	2	111.9820	2.967	2	110.8824	0.592	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	110.8035	0.013	2	110.8035	0.000	2	111.1038	0.065	8	111.0016	0.112	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){5|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.9620	0.049	2	110.9620	0.002	2	111.1038	0.065	8	111.0016	0.112	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.2310	0.027	2	111.2310	0.001	2	111.1038	0.065	8	111.0016	0.112	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.4185	0.032	2	111.4185	0.001	2	111.1038	0.065	8	111.0016	0.112	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|O<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.4355	0.030	2	110.4355	0.001	2	110.4355	0.001	2	111.0016	0.112	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH){1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1590	0.024	2	111.1590	0.001	2	111.1590	0.001	2	111.0016	0.112	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5,5]H)	110.9360	0.269	2	110.7470	2.950	4	110.7470	2.950	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5,5]H)	110.5580	2.939	2	110.7470	2.950	4	110.7470	2.950	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	H(C[5]C[5,5]2H)	110.3705	0.052	2	110.3705	0.003	2	110.3705	0.003	2	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	111.0205	0.013	2	110.6904	0.058	8	110.8135	0.034	22	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.5803	0.151	6	110.6904	0.058	8	110.8135	0.034	22	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	110.8651	0.088	12	110.8839	0.009	14	110.8135	0.034	22	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.9965	0.064	2	110.8839	0.009	14	110.8135	0.034	22	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.5597	0.090	9	110.5597	0.008	9	110.5597	0.008	9	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.3245	0.521	2	110.9240	0.579	4	110.9240	0.579	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{3|H<1>,4|C<4>}	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.5235	0.166	2	110.9240	0.579	4	110.9240	0.579	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1365	0.172	4	111.1365	0.030	4	111.3981	0.564	9	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	112.6250	0.689	2	112.6250	0.474	2	111.3981	0.564	9	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.9290	0.028	3	110.9290	0.001	3	111.3981	0.564	9	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.5445	0.503	2	110.5445	0.253	2	110.5445	0.253	2	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.5360	0.049	3	110.5360	0.002	3	110.5360	0.002	3	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.2580	0.000	1	110.2580	0.000	1	110.9710	0.092	20	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2{2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8350	0.006	2	110.8350	0.000	2	110.9710	0.092	20	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2{1|C<3>,1|N<2>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8465	0.057	2	110.8465	0.003	2	110.9710	0.092	20	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0053	0.149	4	111.0053	0.022	4	110.9710	0.092	20	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9567	0.059	3	110.9567	0.003	3	110.9710	0.092	20	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4288	0.192	4	111.4288	0.037	4	110.9710	0.092	20	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2{1|Cu<2>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(H){2|Cu<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.7982	0.081	4	110.7982	0.007	4	110.9710	0.092	20	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.7140	0.008	2	110.7140	0.000	2	111.0173	0.123	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3205	0.032	2	111.3205	0.001	2	111.0173	0.123	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){2|H<1>,2|S<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.3450	0.028	2	111.3450	0.001	2	111.3795	0.002	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.4140	0.020	2	111.4140	0.000	2	111.3795	0.002	4	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:F-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.1315	0.011	2	111.1315	0.000	2	111.1315	0.000	2	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6235	0.217	4	110.6235	0.047	4	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.3905	0.161	2	111.3905	0.026	2	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1903	0.098	10	111.1903	0.010	10	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9718	0.155	4	110.9718	0.024	4	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6900	0.012	4	110.6900	0.000	4	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3253	0.256	6	111.3253	0.066	6	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3866	0.104	7	111.3866	0.011	7	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9677	2.065	6	111.1197	1.969	12	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2718	0.102	6	111.1197	1.969	12	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1130	0.017	2	111.1130	0.000	2	111.1205	0.503	51	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	108.4520	0.891	2	108.4520	0.794	2	108.4520	0.794	2	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2345	0.006	2	111.3475	0.017	4	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.4605	0.019	2	111.3475	0.017	4	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1560	0.000	1	111.1560	0.000	1	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3385	0.035	2	111.1016	0.025	11	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9220	0.004	2	111.1016	0.025	11	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1930	0.023	2	111.1016	0.025	11	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0655	0.025	2	111.1016	0.025	11	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1730	0.000	1	111.1016	0.025	11	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9535	0.036	2	111.1016	0.025	11	111.1665	0.032	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.0010	0.016	2	111.0010	0.000	2	110.9610	0.183	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.5275	0.018	2	111.5410	0.001	4	110.9610	0.183	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.5545	0.046	2	111.5410	0.001	4	110.9610	0.183	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5835	0.021	2	110.5835	0.000	2	110.9610	0.183	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8160	0.045	2	110.7554	0.110	8	110.9610	0.183	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7352	0.389	6	110.7554	0.110	8	110.9610	0.183	16	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	112.0965	0.161	2	112.0965	0.026	2	112.0965	0.026	2	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8785	0.042	2	110.8785	0.002	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1780	0.010	2	111.1780	0.000	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1810	0.000	1	111.1810	0.000	1	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4475	0.107	2	111.4475	0.011	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0515	0.009	2	110.4531	0.793	8	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.1120	2.128	2	110.4531	0.793	8	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.3245	0.053	4	110.4531	0.793	8	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5435	0.064	2	110.5435	0.004	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	109.5690	0.061	2	109.5690	0.004	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8695	0.018	2	110.7348	0.009	8	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6898	0.051	6	110.7348	0.009	8	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3173	0.053	10	111.3173	0.003	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.2258	0.291	5	111.2258	0.085	5	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5320	0.027	2	110.6855	0.035	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8390	0.099	2	110.6855	0.035	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6710	0.008	2	110.8860	0.063	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1010	0.074	2	110.8860	0.063	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9552	0.265	12	110.9552	0.070	12	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0365	0.032	2	111.0683	0.002	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1000	0.044	2	111.0683	0.002	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9423	0.265	4	110.9423	0.070	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4460	0.091	4	111.0579	0.270	27	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9903	0.534	23	111.0579	0.270	27	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9960	0.024	2	111.0720	0.009	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1480	0.062	2	111.0720	0.009	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|Cl<1>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0870	0.014	4	110.6715	0.501	6	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,6|H<1>}	H(C[5]C[5,5]C[5]H)	109.8405	0.657	2	110.6715	0.501	6	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.6265	0.336	4	111.6265	0.113	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9250	0.007	2	110.8948	0.001	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8645	0.009	2	110.8948	0.001	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0085	0.033	2	111.0085	0.001	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0150	0.008	2	110.8465	0.038	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6780	0.006	2	110.8465	0.038	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3880	0.076	2	111.3880	0.006	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.2575	1.070	2	110.8210	0.231	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1320	0.031	2	110.8210	0.231	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8855	0.006	2	110.8210	0.231	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0340	0.027	2	110.8210	0.231	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7960	0.064	2	110.8210	0.231	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1645	0.016	2	111.1645	0.000	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|B<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1660	0.035	2	110.7875	0.541	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.0120	0.068	2	110.7875	0.541	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3860	1.546	2	110.7875	0.541	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1867	0.085	4	110.7875	0.541	10	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|S<4>,4|H<1>}	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6165	0.026	2	110.6165	0.001	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7240	0.095	2	110.7240	0.009	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2010	0.057	2	111.0033	5.635	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8055	4.092	2	111.0033	5.635	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2500	0.006	2	111.2500	0.000	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.5770	0.021	2	111.0027	0.194	9	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9780	0.008	2	111.0027	0.194	9	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7828	0.404	5	111.0027	0.194	9	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0830	0.023	2	111.0830	0.001	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7440	0.054	2	110.7440	0.003	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2575	0.011	2	111.2575	0.000	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5520	0.000	1	110.5536	0.001	5	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5540	0.040	4	110.5536	0.001	5	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,1|S<4>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.5877	0.176	4	110.5877	0.031	4	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0100	0.013	2	111.0100	0.000	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2{2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0690	0.018	2	111.0690	0.000	2	110.9302	0.318	183	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	109.7025	1.700	4	109.9855	3.657	8	109.9855	3.657	8	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.2685	2.330	4	109.9855	3.657	8	109.9855	3.657	8	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]I)	107.2810	0.600	2	107.2810	0.360	2	107.2810	0.360	2	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2{2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	112.4170	1.978	2	112.4170	3.914	2	112.4170	3.914	2	110.9229	0.538	367	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.1280	0.006	2	111.1280	0.000	2	111.1280	0.000	2	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]Br)	107.5775	0.124	2	107.5775	0.015	2	107.5775	0.015	2	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H){3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]Br)	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]Cl)	107.7575	0.135	2	107.7575	0.018	2	107.7575	0.018	2	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(CN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(CN){1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2695	0.013	2	111.2695	0.000	2	111.2895	0.001	4	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(CN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(CN){1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3095	0.022	2	111.3095	0.000	2	111.2895	0.001	4	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8907	0.127	3	110.8907	0.016	3	110.8907	0.016	3	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6177	0.057	3	110.6177	0.003	3	110.7432	0.032	5	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9315	0.067	2	110.9315	0.005	2	110.7432	0.032	5	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.3292	0.039	5	110.3292	0.002	5	110.3292	0.002	5	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5875	0.012	2	110.5875	0.000	2	110.5875	0.000	2	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.4700	0.068	2	111.4700	0.005	2	111.3143	0.075	3	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2{1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0030	0.000	1	111.0030	0.000	1	111.3143	0.075	3	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9535	0.074	2	110.9360	0.004	3	110.9360	0.004	3	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9010	0.000	1	110.9360	0.004	3	110.9360	0.004	3	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.1780	0.035	2	110.1780	0.001	2	110.1780	0.001	2	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7840	0.000	1	110.7840	0.000	1	110.6779	0.209	17	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2080	0.034	2	111.2080	0.001	2	110.6779	0.209	17	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8677	0.103	3	110.8677	0.011	3	110.6779	0.209	17	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8640	0.116	3	110.8640	0.013	3	110.6779	0.209	17	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8480	0.207	4	110.8480	0.043	4	110.6779	0.209	17	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5]){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	109.9342	0.125	4	109.9342	0.016	4	110.6779	0.209	17	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8360	0.029	4	110.8360	0.001	4	110.8360	0.001	4	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9800	0.010	2	110.9800	0.000	2	110.9280	0.039	5	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8933	0.272	3	110.8933	0.074	3	110.9280	0.039	5	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	109.2790	2.872	2	109.2790	8.250	2	109.2790	8.250	2	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.3160	0.004	2	111.3160	0.000	2	111.3160	0.000	2	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5]){1|S<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5473	0.036	3	110.5473	0.001	3	110.5473	0.001	3	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[3x5]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(OC){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	107.9930	2.856	4	107.9930	8.159	4	107.9930	8.159	4	110.4155	1.501	72	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[3,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O)	H(C[5]C[3,5,6]C[5,5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[3,5,6]C[5,5]H)	110.7765	0.073	2	110.7765	0.005	2	110.7765	0.005	2	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5,5]H)	110.3570	0.010	4	110.2825	0.007	8	110.2825	0.007	8	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5,5]H)	110.2390	0.008	2	110.2825	0.007	8	110.2825	0.007	8	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,3x6]C[5,5]H)	110.1770	0.013	2	110.2825	0.007	8	110.2825	0.007	8	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]2H)	110.1020	0.047	2	110.1020	0.002	2	110.4184	0.084	5	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	H(C[5]C[5,5]2H)	110.6293	0.028	3	110.6293	0.001	3	110.4184	0.084	5	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2H)	111.0915	0.033	2	111.0915	0.001	2	111.0915	0.001	2	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO){2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.5020	0.034	2	110.5020	0.001	2	110.5020	0.001	2	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.6815	0.019	2	110.6745	0.000	4	110.6745	0.000	4	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.6675	0.023	2	110.6745	0.000	4	110.6745	0.000	4	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.7995	0.011	2	110.7995	0.000	2	110.5238	0.125	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.4625	0.006	2	110.4625	0.000	2	110.5238	0.125	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|N<3>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	109.9895	0.015	2	110.3514	0.051	8	110.5238	0.125	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.4720	0.039	6	110.3514	0.051	8	110.5238	0.125	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.2910	0.023	2	110.2910	0.001	2	110.5238	0.125	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.2315	0.054	2	111.2315	0.003	2	110.5238	0.125	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0523	0.031	4	111.0523	0.001	4	111.0523	0.001	4	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	108.7470	0.849	2	108.7470	0.720	2	108.7470	0.720	2	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9347	0.181	8	110.9347	0.033	8	110.6829	0.402	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.4310	0.827	8	110.4310	0.683	8	110.6829	0.402	16	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.2007	0.044	4	110.2007	0.002	4	110.7458	0.246	10	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.2370	0.102	4	111.2370	0.010	4	110.7458	0.246	10	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8535	0.056	2	110.8535	0.003	2	110.7458	0.246	10	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.6820	0.025	2	110.6820	0.001	2	110.7248	0.012	12	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9420	0.031	2	110.7333	0.014	10	110.7248	0.012	12	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6811	0.054	8	110.7333	0.014	10	110.7248	0.012	12	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	110.8500	0.187	4	110.8500	0.035	4	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.3786	0.128	10	110.3786	0.016	10	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.5540	0.007	2	110.5540	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.1035	0.122	2	111.1035	0.015	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O){3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7265	0.009	2	110.7265	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8637	0.047	6	110.5419	0.099	18	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.2075	0.053	4	110.5419	0.099	18	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.6530	0.013	2	110.5419	0.099	18	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4062	0.302	6	110.5419	0.099	18	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.1650	0.013	2	110.1650	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5340	0.023	2	110.5340	0.001	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O){3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6625	0.052	2	110.6625	0.003	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4025	0.025	2	111.4025	0.001	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9185	0.015	2	110.9185	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8755	0.005	2	110.8755	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9700	0.000	1	110.9700	0.000	1	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.5095	0.015	2	110.5095	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0880	0.025	2	111.0880	0.001	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5865	0.011	2	110.5865	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3570	0.000	1	111.3570	0.000	1	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9280	0.028	2	110.9280	0.001	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1305	0.021	2	111.1305	0.000	2	110.6716	0.115	62	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6350	0.021	2	110.6350	0.000	2	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4525	0.110	6	110.6267	0.035	16	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|P<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8072	0.123	6	110.6267	0.035	16	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6045	0.006	2	110.6267	0.035	16	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|P<3>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6300	0.086	2	110.6267	0.035	16	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7524	0.049	8	110.7524	0.002	8	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6800	0.107	2	110.6800	0.012	2	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0570	0.007	2	111.0570	0.000	2	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5435	0.102	4	110.6818	0.028	13	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|P<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7213	0.122	6	110.6818	0.028	13	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6680	0.000	1	110.6818	0.028	13	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|P<3>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8465	0.295	2	110.6818	0.028	13	110.6896	0.030	43	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.4810	0.017	2	110.4810	0.000	2	110.4810	0.000	2	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9825	0.021	2	110.9825	0.000	2	110.9782	0.004	10	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0330	0.024	2	111.0330	0.001	2	110.9782	0.004	10	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(CC[6a]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(CC[6a]C){2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9840	0.076	4	110.9840	0.006	4	110.9782	0.004	10	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9075	0.019	2	110.9075	0.000	2	110.9782	0.004	10	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	109.2570	1.924	4	109.2570	3.703	4	109.2570	3.703	4	110.6275	0.245	204	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	110.0870	0.030	2	110.0870	0.001	2	110.0870	0.001	2	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0375	0.208	4	111.0375	0.043	4	110.7248	0.137	8	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.3055	0.019	2	110.3055	0.000	2	110.7248	0.137	8	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CC)(H)2	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>,2|H<1>}	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.5185	0.008	2	110.5185	0.000	2	110.7248	0.137	8	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5845	0.012	2	110.5845	0.000	2	110.5845	0.000	2	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9465	0.030	2	110.8173	0.051	3	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5590	0.000	1	110.8173	0.051	3	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.7900	1.864	2	110.7900	3.474	2	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8935	0.047	2	110.8935	0.002	2	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8960	0.045	2	110.9890	0.012	4	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0820	0.027	2	110.9890	0.012	4	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3625	0.457	2	110.3625	0.209	2	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8072	0.068	4	110.7268	0.019	6	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5660	0.054	2	110.7268	0.019	6	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1990	0.025	2	111.1990	0.001	2	110.8219	0.240	21	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>,2|S<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.0735	0.054	2	111.0735	0.003	2	111.0735	0.003	2	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.8715	2.296	2	111.8715	5.272	2	111.4747	1.167	6	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.1255	0.033	2	111.1255	0.001	2	111.4747	1.167	6	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4270	0.021	2	111.4270	0.000	2	111.4747	1.167	6	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8418	0.046	4	110.8418	0.002	4	110.8418	0.002	4	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9675	0.009	2	110.9675	0.000	2	110.7192	0.050	9	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7068	0.142	6	110.7068	0.020	6	110.7192	0.050	9	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.2970	0.000	1	110.2970	0.000	1	110.7192	0.050	9	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(C[5]O[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1460	0.373	6	111.1460	0.139	6	111.1460	0.139	6	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2	C[5,5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)3	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)3{1|C<3>,1|C<4>,1|O<2>,2|O<1>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.3819	0.154	8	110.3819	0.024	8	110.7284	0.113	22	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)3	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5,5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)3{1|C<3>,1|C<4>,1|O<2>,2|O<1>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9264	0.232	14	110.9264	0.054	14	110.7284	0.113	22	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[3x5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CC3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CC3){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4479	0.063	9	110.4479	0.004	9	110.5879	0.025	20	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[3x5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCCH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCCH){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5940	0.029	3	110.5940	0.001	3	110.5879	0.025	20	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[3x5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCHH){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7430	0.097	8	110.7430	0.009	8	110.5879	0.025	20	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[5]CuC)(H)2	C[5,5](N[5,5]C[5]2)(C[5]N[5]HH)2(CH3)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[5]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]N[5]HH)2(CH3){1|Cu<5>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	111.1187	0.015	3	111.1187	0.000	3	111.1187	0.000	3	110.7903	0.207	106	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.1695	0.006	2	111.1695	0.000	2	111.1695	0.000	2	111.2660	0.028	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:3:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5])	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,6|C<4>}	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.2660	0.028	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6540	0.027	4	110.6358	0.001	6	110.6358	0.001	6	110.7624	0.113	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5995	0.023	2	110.6358	0.001	6	110.6358	0.001	6	110.7624	0.113	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:Se[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	110.7624	0.113	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.2190	0.021	2	110.2190	0.000	2	110.2190	0.000	2	110.6932	0.063	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[5]-2:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8118	0.025	8	110.8118	0.001	8	110.8118	0.001	8	110.6932	0.063	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7670	0.007	2	110.7670	0.000	2	110.7670	0.000	2	110.7670	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2{2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]2H)	111.0840	0.006	2	111.0840	0.000	2	111.0840	0.000	2	110.7854	0.289	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:2:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9360	0.008	2	110.9360	0.000	2	110.8233	0.017	4	110.7854	0.289	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:2:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7105	0.015	2	110.7105	0.000	2	110.8233	0.017	4	110.7854	0.289	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	109.8530	0.016	2	109.8530	0.000	2	110.5983	0.741	4	110.7854	0.289	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3435	0.009	2	111.3435	0.000	2	110.5983	0.741	4	110.7854	0.289	10	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5,6]C[5]C[6]2)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]2N[5])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>,4|O<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.7281	0.038	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7492	0.198	4	110.7492	0.039	4	110.7492	0.039	4	110.7281	0.038	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8335	0.011	2	110.8335	0.000	2	110.8335	0.000	2	110.7281	0.038	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.8167	0.071	4	110.8167	0.005	4	110.8167	0.005	4	110.8709	0.064	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	110.8709	0.064	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.1815	0.043	2	111.1815	0.002	2	111.1815	0.002	2	110.8709	0.064	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0405	0.019	2	111.0405	0.000	2	111.1263	0.019	14	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.1350	0.022	3	111.1350	0.000	3	111.1263	0.019	14	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0640	0.037	2	111.1424	0.029	9	111.1263	0.019	14	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	111.1649	0.189	7	111.1424	0.029	9	111.1263	0.019	14	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.5825	0.062	8	111.5031	0.016	12	111.5031	0.016	12	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.3443	0.022	4	111.5031	0.016	12	111.5031	0.016	12	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9173	0.036	3	110.9173	0.001	3	110.9173	0.001	3	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7195	1.805	2	110.7195	3.259	2	110.7195	3.259	2	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.5020	0.020	2	110.5020	0.000	2	110.5020	0.000	2	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]HH)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	109.2240	1.970	2	109.2240	3.881	2	109.2240	3.881	2	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.4520	0.023	2	111.4520	0.001	2	111.4520	0.001	2	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6187	0.035	3	110.6187	0.001	3	109.5121	6.579	11	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	108.7293	4.121	4	108.7293	16.985	4	109.5121	6.579	11	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]C)(C[5]C[5]HH)(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	108.0730	0.973	2	108.0730	0.947	2	109.5121	6.579	11	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.8570	0.031	2	110.8570	0.001	2	109.5121	6.579	11	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9487	0.289	6	110.9255	0.055	13	110.9373	0.072	30	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8677	0.186	6	110.9255	0.055	13	110.9373	0.072	30	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.1330	0.000	1	110.9255	0.055	13	110.9373	0.072	30	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0310	0.000	1	111.0310	0.000	1	110.9373	0.072	30	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6693	0.057	8	110.6693	0.003	8	110.9373	0.072	30	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,3|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.2127	0.173	8	111.2127	0.030	8	110.9373	0.072	30	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2{1|Se<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8750	0.034	2	110.8750	0.001	2	110.8750	0.001	2	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6035	0.046	2	110.6035	0.002	2	110.6707	0.007	4	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7380	0.013	2	110.7380	0.000	2	110.6707	0.007	4	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4240	0.021	2	110.4240	0.000	2	110.4240	0.000	2	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8945	0.011	2	110.8945	0.000	2	111.0173	0.021	4	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|C<2>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.1400	0.044	2	111.1400	0.002	2	111.0173	0.021	4	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|S<4>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4585	0.013	2	110.4585	0.000	2	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2109	0.085	8	111.2109	0.007	8	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.0198	0.301	5	111.1171	0.082	11	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8530	0.000	2	111.1171	0.082	11	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	111.3708	0.069	4	111.1171	0.082	11	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8505	0.169	4	110.8505	0.029	4	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.1947	0.280	6	111.1947	0.079	6	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2688	0.054	5	110.9189	0.815	7	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.0440	1.655	2	110.9189	0.815	7	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.3875	0.053	2	110.3875	0.003	2	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	113.1035	0.190	2	113.1035	0.036	2	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Cu<3>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1612	0.093	4	111.1952	0.073	44	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Ni<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4500	0.014	2	111.1952	0.073	44	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2970	0.200	12	111.1952	0.073	44	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0665	0.296	18	111.1952	0.073	44	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.2851	0.281	8	111.1952	0.073	44	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7000	0.018	2	110.9661	0.122	8	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.4055	0.043	2	110.9661	0.122	8	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8795	0.313	4	110.9661	0.122	8	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9710	0.000	1	110.9710	0.000	1	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7860	0.000	1	110.7860	0.000	1	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.7395	0.006	2	110.7395	0.000	2	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<2>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.2967	0.154	3	110.9620	0.222	5	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.4600	0.040	2	110.9620	0.222	5	111.1188	0.222	103	110.9725	0.707	193	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5])	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9205	0.016	2	110.9205	0.000	2	110.9205	0.000	2	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8965	0.016	2	110.8275	0.007	4	110.8275	0.007	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.7585	0.042	2	110.8275	0.007	4	110.8275	0.007	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2820	0.006	2	111.2820	0.000	2	111.2820	0.000	2	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9600	0.031	2	110.9600	0.001	2	111.1082	0.030	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	111.2565	0.032	2	111.2565	0.001	2	111.1082	0.030	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.7530	0.035	2	110.7530	0.001	2	110.9255	0.040	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0980	0.013	2	111.0980	0.000	2	110.9255	0.040	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9520	0.097	3	110.9977	0.015	4	110.9977	0.015	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1350	0.000	1	110.9977	0.015	4	110.9977	0.015	4	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2{3|C<4>,5|C<3>}	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5]){1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4430	0.028	2	110.4430	0.001	2	110.4430	0.001	2	110.9553	0.058	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]3)(H)2{2|C<4>,2|O<1>,2|O<2>,4|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]2H)	110.8383	0.094	4	110.8383	0.009	4	110.8383	0.009	4	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]2H)	C[5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]3)(H)2{2|C<4>,2|O<1>,2|O<2>,4|H<1>}	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]2H)	110.8377	0.041	4	110.8377	0.002	4	110.8377	0.002	4	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2H)	110.3535	0.059	2	110.3535	0.003	2	110.3535	0.003	2	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5,5]H)	110.9340	0.028	2	110.9340	0.001	2	110.9340	0.001	2	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	111.0505	0.016	2	111.0505	0.000	2	110.8690	0.020	6	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2{1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.7765	0.011	2	110.7765	0.000	2	110.8690	0.020	6	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.7800	0.010	2	110.7800	0.000	2	110.8690	0.020	6	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8360	0.016	2	110.8360	0.000	2	110.8360	0.000	2	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5]N[5,5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5]N[5,5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0327	0.077	4	111.0327	0.006	4	110.9813	0.010	6	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(COO){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8785	0.022	2	110.8785	0.000	2	110.9813	0.010	6	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4505	0.026	2	110.4505	0.001	2	110.9144	0.087	9	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9260	0.036	4	110.9260	0.001	4	110.9144	0.087	9	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2083	0.010	3	111.2083	0.000	3	110.9144	0.087	9	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4683	0.052	3	111.4683	0.003	3	111.4683	0.003	3	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.3745	0.068	4	111.3745	0.005	4	111.2283	0.054	6	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9360	0.021	2	110.9360	0.000	2	111.2283	0.054	6	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	H(C[5]C[5,5]S[5]H)	111.3285	1.064	2	111.3285	1.133	2	111.3285	1.133	2	110.9721	0.105	46	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|N<3>,5|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9793	0.035	4	110.9793	0.001	4	111.0163	0.009	27	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|S<4>,2|C<4>,2|N<3>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9720	0.077	8	111.0227	0.010	23	111.0163	0.009	27	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,5|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.9075	0.041	4	111.0227	0.010	23	111.0163	0.009	27	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,6|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0780	0.037	2	111.0227	0.010	23	111.0163	0.009	27	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.1067	0.054	9	111.0227	0.010	23	111.0163	0.009	27	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2{1|N<3>,3|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6555	0.121	2	110.6555	0.015	2	110.6555	0.015	2	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2{2|C<2>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1240	0.028	2	111.1240	0.001	2	111.1240	0.001	2	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.3683	0.151	3	110.9387	0.169	7	110.9387	0.169	7	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.6165	0.014	4	110.9387	0.169	7	110.9387	0.169	7	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.6195	0.013	2	110.6195	0.000	2	110.6195	0.000	2	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.4735	0.035	2	110.4735	0.001	2	110.4735	0.001	2	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9290	0.010	2	110.9290	0.000	2	110.9290	0.000	2	110.9380	0.055	45	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[3,5]C[5,5]H)	110.7900	0.008	2	110.7900	0.000	2	110.7900	0.000	2	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H)	H(C[5]C[3x5,6]C[5,5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[3x5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[3x5,6]C[5,5]H)	107.8565	0.878	2	107.8565	0.770	2	107.8565	0.770	2	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3x5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H)	H(C[5]C[3x5]C[5,5]H)	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[3x5]C[5,5]H)	110.3717	0.145	4	110.3717	0.021	4	110.3717	0.021	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[4x5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H)	H(C[5]C[4x5]C[5,5]H)	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,5|C<4>}	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[4x5]C[5,5]H)	110.7450	0.418	4	110.7450	0.174	4	110.7450	0.174	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.5545	3.448	4	110.5545	11.891	4	110.1067	6.010	17	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	106.7225	4.002	2	108.0157	12.331	4	110.1067	6.010	17	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]2H)	109.3090	3.780	2	108.0157	12.331	4	110.1067	6.010	17	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5,5]2H)	111.1340	0.033	2	110.8370	0.051	9	110.1067	6.010	17	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]2H)	110.7115	0.188	4	110.8370	0.051	9	110.1067	6.010	17	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]2H)	110.8063	0.168	3	110.8370	0.051	9	110.1067	6.010	17	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8450	0.000	1	110.8707	0.001	3	110.8707	0.001	3	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8835	0.008	2	110.8707	0.001	3	110.8707	0.001	3	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1500	0.024	2	111.1500	0.001	2	111.1407	0.002	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1315	0.078	2	111.1315	0.006	2	111.1407	0.002	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H){1|N<2>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]Br)	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0643	0.064	8	111.0643	0.004	8	111.0643	0.004	8	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9460	0.014	2	110.5760	0.183	4	110.5760	0.183	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.2060	0.013	2	110.5760	0.183	4	110.5760	0.183	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8630	0.008	4	110.8388	0.001	8	110.8820	0.060	13	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.8145	0.005	4	110.8388	0.001	8	110.8820	0.060	13	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5750	0.000	1	110.6533	0.005	3	110.8820	0.060	13	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6925	0.032	2	110.6533	0.005	3	110.8820	0.060	13	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.3980	0.045	2	111.3980	0.002	2	110.8820	0.060	13	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2{2|H<1>,3|C<4>}	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.1150	1.865	2	110.1150	3.480	2	110.6410	1.529	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1670	0.031	2	111.1670	0.001	2	110.6410	1.529	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2{1|C<3>,4|C<4>}	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	111.0350	0.000	1	111.0350	0.000	1	111.0350	0.000	1	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8935	0.018	2	110.8935	0.000	2	110.8935	0.000	2	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.5480	1.084	4	110.6261	0.527	8	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6105	0.279	2	110.6261	0.527	8	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7980	0.020	2	110.6261	0.527	8	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8665	0.025	2	110.8665	0.001	2	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5240	0.028	2	110.5240	0.001	2	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|S<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8460	0.027	2	110.8460	0.001	2	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H){3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5697	0.065	4	110.5697	0.004	4	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2{3|C<4>}	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.4465	0.012	2	111.4465	0.000	2	110.7327	0.267	20	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5072	0.257	4	110.5072	0.066	4	110.6581	0.071	7	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8593	0.091	3	110.8593	0.008	3	110.6581	0.071	7	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.2715	0.012	4	111.0160	2.221	8	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.7605	1.924	4	111.0160	2.221	8	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.5263	1.801	8	111.5263	3.245	8	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.4165	0.664	2	111.4165	0.441	2	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8695	0.012	2	110.8695	0.000	2	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8220	0.000	1	110.8220	0.000	1	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,4|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4845	0.018	2	110.4845	0.000	2	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8060	0.000	1	110.8060	0.000	1	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9747	0.077	3	110.9747	0.006	3	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9023	0.048	4	110.9023	0.002	4	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	111.1190	0.041	2	111.1190	0.002	2	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4420	0.064	3	111.4420	0.004	3	111.1279	1.200	36	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H){1|S<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4480	1.079	2	110.4480	1.164	2	110.4480	1.164	2	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	110.3227	0.803	4	110.3227	0.646	4	110.3227	0.646	4	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5]C[5,5]N[5,5]H)	110.8270	0.035	2	110.8270	0.001	2	110.8270	0.001	2	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1685	0.009	2	111.1685	0.000	2	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.2590	0.142	4	111.3715	0.034	49	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.3557	0.182	3	111.3715	0.034	49	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.3260	0.289	6	111.3715	0.034	49	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.3929	0.172	36	111.3715	0.034	49	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.3130	0.045	2	111.3392	0.017	10	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.2705	0.036	2	111.3392	0.017	10	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.4235	0.006	2	111.3392	0.017	10	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.5210	0.016	2	111.3392	0.017	10	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1680	0.027	2	111.3392	0.017	10	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.2310	0.007	2	111.2144	0.007	9	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.2827	0.118	3	111.2144	0.007	9	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1550	0.030	4	111.2144	0.007	9	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H){1|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1155	0.090	2	111.1155	0.008	2	111.3346	0.031	72	110.9324	0.985	212	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[3x5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(O[5]C[5])2	H(C[5]C[3x5]C[5,5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]O[5]2)(H)2{1|C<3>,4|H<1>,7|C<4>}	C[5,5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(O[5]C[5])2{4|C<4>,4|H<1>}	H(C[5]C[3x5]C[5,5]H)	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	110.1485	0.018	2	110.1485	0.000	2	110.1485	0.000	2	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]2)(H)2	C[5,5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]HH)(O[5]C[5])2	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]2)(H)2{1|H<1>,1|O<2>,7|C<4>}	C[5,5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]HH)(O[5]C[5])2{1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,5]2H)	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(O[5]C[5])2	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]C[5]O[5]2)(H)2{4|H<1>,5|C<4>}	C[5,5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(O[5]C[5])2{4|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.5530	0.004	2	110.5530	0.000	2	110.9077	0.504	20	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	111.4753	1.552	4	111.4753	2.410	4	110.9077	0.504	20	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]2H)	110.8269	0.262	8	110.8269	0.069	8	110.9077	0.504	20	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]O[5]CH)(O[5]C[5])2	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]2)(H)2{4|H<1>,6|C<4>}	C[5,5](C[5]C[5,5]HH)(C[5]O[5]CH)(O[5]C[5])2{2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.5395	0.026	2	110.5395	0.001	2	110.9077	0.504	20	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2H)	110.8632	0.023	4	110.8632	0.001	4	110.9077	0.504	20	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H)	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H){3|C<4>,3|H<1>}	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2{1|Cl<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]Br)	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.2740	0.017	2	111.2740	0.000	2	110.7897	0.143	6	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5475	0.057	4	110.5475	0.003	4	110.7897	0.143	6	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7280	0.016	2	110.7280	0.000	2	108.3367	7.759	4	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5]){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	105.9455	0.636	2	105.9455	0.404	2	108.3367	7.759	4	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	111.1530	0.020	2	111.0847	0.014	3	111.0046	0.012	7	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.9480	0.000	1	111.0847	0.014	3	111.0046	0.012	7	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9980	0.006	2	110.9980	0.000	2	111.0046	0.012	7	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8910	0.033	2	110.8910	0.001	2	111.0046	0.012	7	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,9|H<1>}	H(C[5]C[5,5]C[5]H)	110.2972	0.043	4	110.4026	0.024	27	110.4694	0.074	31	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,1|C<4>,9|H<1>}	H(C[5]C[5,5]C[5]H)	110.5014	0.057	14	110.4026	0.024	27	110.4694	0.074	31	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<4>,9|H<1>}	H(C[5]C[5,5]C[5]H)	110.2958	0.190	9	110.4026	0.024	27	110.4694	0.074	31	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5155	0.005	2	110.9203	0.220	4	110.4694	0.074	31	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.3250	0.059	2	110.9203	0.220	4	110.4694	0.074	31	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	111.0860	0.000	1	111.0860	0.000	1	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2550	0.004	2	111.2550	0.000	2	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1882	0.134	4	111.1882	0.018	4	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2{1|Cl<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1255	0.067	2	111.1255	0.005	2	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2773	0.040	3	111.2773	0.002	3	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2313	0.206	8	111.2313	0.043	8	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0663	0.123	3	111.0663	0.015	3	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	C[5,5](C[5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])2{1|O<2>,2|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	111.4077	0.074	4	111.4077	0.006	4	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5700	0.020	2	110.1598	1.486	4	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2{8|H<1>}	H(C[5]C[5,5]C[5]H)	109.7495	1.945	2	110.1598	1.486	4	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4665	0.036	2	111.4665	0.001	2	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[3x5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[3x5])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7955	0.054	4	110.7955	0.003	4	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5148	0.022	4	110.9199	0.222	35	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6867	0.145	4	110.9199	0.222	35	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0145	0.494	27	110.9199	0.222	35	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.6095	0.011	2	111.6095	0.000	2	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7887	2.668	4	110.7887	7.117	4	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1690	0.038	2	111.1690	0.001	2	111.0097	0.507	80	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S[5]-2:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2	C[5,5](C[5]C[5]HH)2(S[5]C[5])2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2{3|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(S[5]C[5])2{2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7650	0.068	2	110.7650	0.005	2	110.7650	0.005	2	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	H(C[5]C[5,6,6]C[5,5]F)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5,5]F)	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.6470	0.048	2	111.6470	0.002	2	111.6470	0.002	2	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2{1|C<3>,1|H<1>,7|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2127	0.030	8	111.2127	0.001	8	111.2127	0.001	8	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.0805	0.021	2	111.0805	0.000	2	110.9860	0.017	5	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9230	0.139	3	110.9230	0.019	3	110.9860	0.017	5	110.8188	0.686	172	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO){2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,5]H)	110.6045	0.081	2	110.6045	0.007	2	110.6045	0.007	2	111.8804	3.287	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	111.1570	0.146	4	111.1570	0.021	4	111.1570	0.021	4	111.8804	3.287	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:3:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2	C[5,5](C[5]C[5,5]CC)(C[5]C[5,6]HH)(O[5]N[5,6])(C[5]C[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2{1|O<1>,2|H<1>,6|C<4>}	C[5,5](C[5]C[5,5]CC)(C[5]C[5,6]HH)(O[5]N[5,6])(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	114.6030	1.662	2	114.6030	2.761	2	114.6030	2.761	2	111.8804	3.287	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	111.6220	0.764	2	111.2075	4.534	4	111.2075	4.534	4	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]2H)	110.7930	3.511	2	111.2075	4.534	4	111.2075	4.534	4	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2668	0.232	4	111.2668	0.054	4	111.2668	0.054	4	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4960	0.013	2	110.4960	0.000	2	110.5048	0.273	9	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI){1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6515	0.004	4	110.6515	0.000	4	110.5048	0.273	9	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.4660	0.000	1	111.4660	0.000	1	110.5048	0.273	9	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	109.7395	0.033	2	109.7395	0.001	2	110.5048	0.273	9	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2{2|Si<4>,2|C<3>,4|C<4>}	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.9787	2.685	4	111.9787	7.209	4	111.9787	7.209	4	111.0440	2.007	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	111.0563	0.044	4	111.0563	0.002	4	111.0563	0.002	4	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,5]2H)	109.8875	0.054	2	109.8875	0.003	2	110.6621	1.823	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	111.2610	2.127	4	111.2610	4.526	4	110.6621	1.823	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)2(H)2	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)2(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]2H)	110.4505	0.052	4	110.4505	0.003	4	110.6621	1.823	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{1|O<1>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]2H)	110.9565	0.019	2	110.9565	0.000	2	111.5702	1.771	14	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]2H)	112.2507	1.363	4	112.2507	1.858	4	111.5702	1.771	14	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2H)	110.6240	0.091	4	110.6240	0.008	4	111.5702	1.771	14	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	112.1428	1.819	4	112.1428	3.309	4	111.5702	1.771	14	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.4595	0.006	2	111.4595	0.000	2	111.4595	0.000	2	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2275	1.739	4	111.2275	3.025	4	111.2275	3.025	4	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1495	0.032	2	111.1495	0.001	2	111.1495	0.001	2	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3003	0.072	4	111.3003	0.005	4	111.3003	0.005	4	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	108.4805	1.633	2	108.4805	2.666	2	108.4805	2.666	2	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6165	0.023	2	110.6165	0.001	2	110.2548	19.014	16	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.9810	0.006	2	110.9810	0.000	2	110.2548	19.014	16	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.0735	5.077	12	110.0735	25.773	12	110.2548	19.014	16	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8110	0.016	2	110.7670	0.003	4	110.7540	0.003	5	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7230	0.021	2	110.7670	0.003	4	110.7540	0.003	5	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7020	0.000	1	110.7020	0.000	1	110.7540	0.003	5	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9760	0.031	2	110.9760	0.001	2	110.9820	0.003	5	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9860	0.078	3	110.9860	0.006	3	110.9820	0.003	5	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1520	0.133	7	111.1520	0.018	7	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7915	0.021	2	110.7915	0.000	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3085	0.006	2	111.3085	0.000	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1225	0.006	2	111.1225	0.000	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.8935	2.292	2	111.8935	5.252	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1485	0.026	2	111.1485	0.001	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2{2|H<1>,2|O<2>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1605	0.019	2	111.1605	0.000	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2625	0.078	2	111.2625	0.006	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	112.6550	1.297	2	111.7955	1.546	4	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9360	0.035	2	111.7955	1.546	4	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.6425	4.752	2	111.6425	22.586	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3700	0.020	2	111.3700	0.000	2	111.3326	1.261	29	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.2805	0.023	2	110.2805	0.001	2	110.3521	0.800	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|O<1>,2|N<2>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	108.9885	0.774	2	108.9885	0.600	2	110.3521	0.800	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|S<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7515	1.081	2	110.7515	1.169	2	110.3521	0.800	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){3|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5955	0.036	2	110.5955	0.001	2	110.3521	0.800	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(N[5]C[5]N)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.1445	0.056	2	111.1445	0.003	2	110.3521	0.800	10	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2Pd)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](N[5,5]C[5]2Pd)(C[5]C[5]HH)(C[5]N[5]O)(H){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2947	0.116	4	111.2947	0.014	4	111.2947	0.014	4	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.8690	3.746	2	111.8690	14.034	2	111.8690	14.034	2	110.9642	3.846	113	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[4,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[4,5,6]C[4,6,6]2C[5])(C[5,5]C[5]N[5]O[5])(H)2	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5])	H(C[5]C[4,5,6]C[5,5]H)	C[5](C[4,5,6]C[4,6,6]2C[5])(C[5,5]C[5]N[5]O[5])(H)2{2|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[4,5,6]C[5,5]H)	110.7978	0.114	6	110.7978	0.013	6	110.7978	0.013	6	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	110.7493	0.050	4	110.7493	0.002	4	110.7493	0.002	4	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.5130	0.007	3	110.5130	0.000	3	110.5130	0.000	3	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5])	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]Cl)	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9635	0.060	2	110.9635	0.004	2	110.9635	0.004	2	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]C[5]){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(SC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(SC){1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2385	0.045	2	111.2385	0.002	2	111.2385	0.002	2	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5]){2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	112.8615	1.418	2	112.8615	2.010	2	112.8615	2.010	2	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5]){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	107.4377	5.519	4	107.4377	30.456	4	109.5597	10.834	12	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8388	0.353	4	110.8388	0.125	4	109.5597	10.834	12	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4025	0.105	4	110.4025	0.011	4	109.5597	10.834	12	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5305	0.021	4	110.5305	0.000	4	110.3760	0.038	7	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.1700	0.054	3	110.1700	0.003	3	110.3760	0.038	7	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.8657	0.060	4	110.8657	0.004	4	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5310	0.027	2	110.8894	0.143	5	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.2820	0.024	2	110.8894	0.143	5	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8210	0.000	1	110.8894	0.143	5	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6532	0.410	12	110.6532	0.168	12	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5]){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7957	0.242	4	110.7597	0.038	8	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5]){1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7237	0.163	4	110.7597	0.038	8	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.3620	0.011	2	111.3620	0.000	2	110.7919	0.122	31	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7817	0.135	7	110.7817	0.018	7	110.7817	0.018	7	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(N[5]C[5]N)(S[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(N[5]C[5]N)(S[5]C[5]){1|O<1>,6|H<1>}	H(C[5]C[5,5]C[5]H)	109.6985	2.587	4	109.6985	6.691	4	109.6985	6.691	4	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	110.2885	0.043	2	110.2885	0.002	2	110.2885	0.002	2	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH){1|O<1>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9372	0.301	5	110.9372	0.091	5	111.0456	0.095	7	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{2|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH){1|O<1>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.3165	0.013	2	111.3165	0.000	2	111.0456	0.095	7	110.6168	1.982	91	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]2N[5])(C[5,5]C[5]3)(H)2{1|C<3>,2|C<4>,2|O<1>,2|O<2>,6|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]2H)	110.7945	0.062	2	110.7945	0.004	2	110.7945	0.004	2	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3882	0.052	4	111.3882	0.003	4	111.2710	0.035	6	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0365	0.012	2	111.0365	0.000	2	111.2710	0.035	6	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]C){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7965	0.035	2	110.7965	0.001	2	111.0362	0.017	14	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1530	0.011	6	111.0762	0.007	12	111.0362	0.017	14	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9993	0.041	6	111.0762	0.007	12	111.0362	0.017	14	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]N[5]C)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]N[5]C)(COO){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.3315	3.270	2	110.3315	10.695	2	110.5620	3.636	4	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]N)(COO){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7925	0.009	2	110.7925	0.000	2	110.5620	3.636	4	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2{1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.0505	0.012	2	110.0505	0.000	2	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3465	0.029	2	110.3465	0.001	2	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.1365	3.160	2	110.1365	9.986	2	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){6|H<1>}	H(C[5]C[5,5]C[5]H)	110.4265	0.018	2	110.4265	0.000	2	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H){1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	109.9050	0.047	2	109.9050	0.002	2	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4753	0.059	3	110.4753	0.004	3	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|O<1>,2|O<2>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)2{4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8595	0.263	4	110.8595	0.069	4	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4885	0.016	2	110.4885	0.000	2	110.3985	0.665	19	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6380	0.044	2	110.4770	0.079	3	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.1550	0.000	1	110.4770	0.079	3	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2760	0.006	2	111.2760	0.000	2	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7615	0.042	2	110.6705	0.012	4	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5795	0.033	2	110.6705	0.012	4	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8139	0.062	8	110.1725	4.972	12	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	108.8898	3.864	4	110.1725	4.972	12	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]S)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<1>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]S)(N[5]C[5]H){1|S<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6917	0.086	4	110.6917	0.007	4	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)(N[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)(N[5]C[5]O){5|H<1>}	H(C[5]C[5,5]C[5]H)	109.0800	1.659	2	109.0800	2.752	2	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5888	0.458	4	110.5888	0.209	4	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6395	0.052	2	110.6395	0.003	2	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5950	0.006	2	110.5950	0.000	2	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.4210	0.062	2	111.4210	0.004	2	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)(N[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)(N[5]C[5]O){5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9180	3.473	2	110.9180	12.064	2	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1660	0.000	1	111.1660	0.000	1	110.5083	2.044	40	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]C)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]C)(N[5]C[5]H){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0730	0.038	4	111.0730	0.001	4	111.0730	0.001	4	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.0780	0.042	2	110.0780	0.002	2	110.0780	0.002	2	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.6315	0.043	2	110.6315	0.002	2	111.0696	0.066	10	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.1791	0.125	8	111.1791	0.016	8	111.0696	0.066	10	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O){1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.2080	0.024	2	111.2080	0.001	2	111.2080	0.001	2	110.6935	1.114	103	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7025	0.008	2	110.7025	0.000	2	110.7025	0.000	2	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2{1|Si<4>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3){1|Si<4>,1|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.3675	0.009	2	110.3675	0.000	2	110.3675	0.000	2	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|C<3>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0340	0.035	2	111.0340	0.001	2	110.6593	0.268	4	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|Si<4>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.2845	0.491	2	110.2845	0.242	2	110.6593	0.268	4	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	112.4850	1.793	2	112.4850	3.216	2	112.4850	3.216	2	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5640	0.006	2	110.5640	0.000	2	110.7640	0.029	6	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|N<3>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8640	0.091	4	110.8640	0.008	4	110.7640	0.029	6	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<4>,5|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.3833	0.069	9	110.3833	0.005	9	110.3833	0.005	9	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3770	0.033	2	110.3770	0.001	2	110.7382	0.373	6	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9455	0.023	2	110.9455	0.001	2	110.7382	0.373	6	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8920	1.212	2	110.8920	1.469	2	110.7382	0.373	6	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6480	0.048	2	110.6480	0.002	2	110.6480	0.002	2	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH){1|H<1>,8|C<3>}	H(C[5]C[5,5]C[5]H)	111.2580	0.018	2	111.2580	0.000	2	111.2580	0.000	2	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	C[5]-4:	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2{4|Si<4>,1|N<2>,1|N<3>}	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	109.9850	0.034	2	109.9850	0.001	2	109.9850	0.001	2	110.7057	0.413	38	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[3,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5,5]H)	110.7070	0.042	2	110.7070	0.002	2	110.7070	0.002	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	110.8735	0.033	2	110.8735	0.001	2	110.8735	0.001	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,5]2H)	112.2770	2.278	2	112.2770	5.191	2	112.2770	5.191	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]2)(H)2	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]2)(H)2{1|H<1>,1|O<2>,7|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	111.3350	2.221	4	111.3350	4.932	4	110.9588	3.306	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.2065	0.189	2	110.2065	0.036	2	110.9588	3.306	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	110.7120	0.000	1	110.8495	0.004	8	110.8495	0.004	8	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	110.8691	0.032	7	110.8495	0.004	8	110.8495	0.004	8	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]2H)2(H)2{4|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]2H)	110.4915	0.018	2	110.4753	0.000	4	110.6807	0.041	10	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]2H)2(H)2{4|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){4|C<4>,7|H<1>}	H(C[5]C[5,5]2H)	110.4590	0.006	2	110.4753	0.000	4	110.6807	0.041	10	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,5]2H)	110.7417	0.081	4	110.7417	0.007	4	110.6807	0.041	10	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{1|O<1>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)2(C[5]C[5,5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]2H)	110.9695	0.016	2	110.9695	0.000	2	110.6807	0.041	10	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.7163	0.040	4	110.7163	0.002	4	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	111.8137	1.722	4	111.8137	2.966	4	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,5]2H)	110.7680	0.015	4	110.7680	0.000	4	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]2H)	111.0890	0.007	2	111.0890	0.000	2	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	110.9003	0.094	12	110.9016	0.008	14	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2H)	110.9090	0.057	2	110.9016	0.008	14	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]2H)	111.1803	1.338	4	111.1803	1.792	4	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.4175	0.030	2	110.4175	0.001	2	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.6620	0.000	1	110.6224	0.003	7	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[5,5]2H)	110.5950	0.025	2	110.6224	0.003	7	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]2H)	110.6262	0.067	4	110.6224	0.003	7	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	110.3845	0.008	2	110.3845	0.000	2	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]CH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	110.7703	0.015	4	110.7703	0.000	4	110.8884	0.433	47	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7330	0.025	2	110.7330	0.001	2	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.3095	1.432	2	110.3095	2.050	2	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.6060	0.040	2	110.6060	0.002	2	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8745	0.012	2	110.8745	0.000	2	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7690	0.270	2	110.8995	0.047	4	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.0300	0.006	2	110.8995	0.047	4	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1033	0.091	4	111.1033	0.008	4	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.4240	0.024	2	111.4240	0.001	2	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2750	0.000	1	111.2750	0.000	1	110.9042	0.222	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<2>,5|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5,6]H)	111.0810	0.021	2	111.0810	0.000	2	111.3712	7.486	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5,6]HH)(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	112.2097	2.508	4	112.2097	6.289	4	111.3712	7.486	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){3|O<2>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	108.2705	3.123	2	111.3880	15.673	5	111.3712	7.486	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	113.4663	3.205	3	111.3880	15.673	5	111.3712	7.486	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<2>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	109.9420	1.100	2	109.9420	1.211	2	111.3712	7.486	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H){1|N<2>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	H(C[5]C[5,5]C[5]Br)	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.1375	0.008	2	110.1375	0.000	2	110.1375	0.000	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8347	0.078	4	110.8347	0.006	4	110.8490	0.003	8	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8570	0.016	2	110.8570	0.000	2	110.8490	0.003	8	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8695	0.013	2	110.8695	0.000	2	110.8490	0.003	8	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.3695	0.115	8	110.3695	0.013	8	110.3876	0.207	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.4100	0.172	3	110.4100	0.030	3	110.3876	0.207	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.8780	0.027	2	110.8780	0.001	2	110.3876	0.207	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2000	0.024	2	110.2372	0.589	6	110.3876	0.207	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	109.7558	0.232	4	110.2372	0.589	6	110.3876	0.207	19	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8231	0.112	7	110.8231	0.013	7	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.5655	0.040	4	110.8648	0.562	8	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.1640	0.035	4	110.8648	0.562	8	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8420	0.058	3	110.8420	0.003	3	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.0523	0.029	3	111.0523	0.001	3	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2865	0.061	4	111.2865	0.004	4	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6910	0.061	7	110.6910	0.004	7	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5105	0.042	4	110.5105	0.002	4	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0870	0.114	3	111.0870	0.013	3	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9183	0.038	4	110.9183	0.001	4	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.5343	0.023	3	111.5343	0.001	3	110.9114	0.156	46	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	112.1910	1.380	2	112.1910	1.905	2	112.3383	8.043	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	113.9860	4.967	2	112.4120	12.748	4	112.3383	8.043	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8380	1.915	2	112.4120	12.748	4	112.3383	8.043	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4790	0.087	6	110.4790	0.008	6	110.6490	0.115	16	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2{3|C<4>,4|H<1>}	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5768	0.165	8	110.5768	0.027	8	110.6490	0.115	16	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.4480	0.025	2	111.4480	0.001	2	110.6490	0.115	16	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8030	0.069	2	110.8030	0.005	2	110.4178	0.774	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8470	0.028	2	110.8110	0.004	4	110.4178	0.774	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7750	0.069	2	110.8110	0.004	4	110.4178	0.774	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H){1|B<4>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.1754	1.232	8	110.1754	1.518	8	110.4178	0.774	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,4|C<4>}	C[5,5](C[4x5]C[5,5]2N[5,5])(C[5]C[5]HH)2(H){1|B<4>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.3170	0.604	4	110.3170	0.365	4	110.4178	0.774	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>,7|C<4>}	H(C[5]C[5,5]C[5]H)	110.9387	0.088	3	110.9501	0.003	7	110.6723	0.065	24	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){3|C<3>,5|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	110.9587	0.034	4	110.9501	0.003	7	110.6723	0.065	24	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.2020	0.000	1	110.5835	0.045	15	110.6723	0.065	24	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5054	0.142	8	110.5835	0.045	15	110.6723	0.065	24	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5178	0.021	4	110.5835	0.045	15	110.6723	0.065	24	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7185	0.006	2	110.5835	0.045	15	110.6723	0.065	24	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]N[5,6]C[6]O[5])(C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3660	0.072	2	110.3660	0.005	2	110.6723	0.065	24	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	111.0725	0.008	2	111.0725	0.000	2	111.0722	0.000	4	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.0720	0.010	2	111.0720	0.000	2	111.0722	0.000	4	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5360	0.008	2	110.5360	0.000	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5795	0.033	2	110.5795	0.001	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]O[5]HS)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5130	0.035	2	110.5130	0.001	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.4405	0.013	2	110.4405	0.000	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6785	0.023	4	110.6785	0.001	4	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9525	0.009	2	111.1228	0.024	10	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.2295	0.096	6	111.1228	0.024	10	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9730	0.037	2	111.1228	0.024	10	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.3522	0.975	8	111.3522	0.950	8	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4030	0.084	3	110.4030	0.007	3	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4040	0.031	4	110.5415	0.147	8	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1460	0.000	2	110.5415	0.147	8	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.2120	0.014	2	110.5415	0.147	8	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.6315	0.033	2	110.6315	0.001	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5595	0.026	2	110.3648	1.948	18	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	112.4180	0.042	2	110.3648	1.948	18	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	108.8620	0.058	2	110.3648	1.948	18	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.2620	0.616	4	110.3648	1.948	18	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.2300	1.637	8	110.3648	1.948	18	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8621	0.076	8	110.8621	0.006	8	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8388	0.211	4	110.8388	0.045	4	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	109.3495	0.641	2	109.3495	0.411	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4775	0.015	2	110.4775	0.000	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.0740	0.030	2	110.0740	0.001	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.4238	0.755	9	111.4238	0.570	9	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	112.8440	0.199	2	112.8440	0.040	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0765	0.070	4	111.0765	0.005	4	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5450	0.000	1	110.4640	0.205	4	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.2730	0.668	2	110.4640	0.205	4	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7650	0.000	1	110.4640	0.205	4	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8265	0.098	2	110.8265	0.010	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,4|C<4>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9890	0.004	2	110.9890	0.000	2	110.7904	0.730	102	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7152	0.080	4	110.7152	0.006	4	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6685	0.052	2	110.6685	0.003	2	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0089	0.126	10	111.0089	0.016	10	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.7230	0.004	2	110.7230	0.000	2	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5]C[5,5]C[5]H)	115.2140	8.717	2	115.2140	75.990	2	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6665	0.129	4	110.6665	0.017	4	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1058	0.245	6	111.1058	0.060	6	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8830	0.233	4	110.8830	0.054	4	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9690	0.000	1	110.9690	0.000	1	111.1418	3.316	35	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(Br)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2{5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(Br){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7045	0.012	2	110.7045	0.000	2	110.7045	0.000	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5555	3.007	2	110.5555	9.044	2	110.5555	9.044	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7403	0.039	4	110.7403	0.002	4	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8433	0.071	3	110.8433	0.005	3	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3683	0.065	4	110.3683	0.004	4	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.6115	0.036	4	110.6115	0.001	4	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8940	0.068	2	110.8940	0.005	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7690	0.045	3	110.8250	0.007	5	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9090	0.024	2	110.8250	0.007	5	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.2925	0.037	2	110.2925	0.001	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.7465	0.019	2	110.7465	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6031	0.073	15	110.6031	0.005	15	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2{1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|Cl<1>,1|C<3>,4|O<2>}	H(C[5]C[5,5]C[5]H)	110.1655	0.023	2	110.1655	0.001	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	112.3830	1.351	2	112.3830	1.824	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9825	0.013	2	110.9825	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9830	0.006	2	110.9830	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.1770	11.478	2	111.1770	131.739	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8740	0.052	2	110.8740	0.003	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4580	0.179	7	110.4580	0.032	7	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6760	1.385	2	110.6760	1.917	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6550	0.016	2	110.6550	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6860	0.040	2	110.9108	0.073	5	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2035	0.008	2	110.9108	0.073	5	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7750	0.000	1	110.9108	0.073	5	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8940	0.000	1	110.6720	0.082	5	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6165	0.297	4	110.6720	0.082	5	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0515	0.969	2	111.0515	0.940	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2477	0.096	4	111.2477	0.009	4	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<3>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<4>,1|O<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9177	0.119	4	110.9257	0.008	8	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9338	0.060	4	110.9257	0.008	8	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.9008	0.069	4	110.9008	0.005	4	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7830	0.000	1	110.7830	0.000	1	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|N<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8370	0.114	11	110.8370	0.013	11	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.8370	0.000	1	111.2193	0.111	3	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.4105	0.047	2	111.2193	0.111	3	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6700	0.018	2	110.6700	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	109.5855	0.702	2	109.5855	0.493	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.7225	0.047	2	110.7225	0.002	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0695	0.052	2	111.0170	0.010	3	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9120	0.000	1	111.0170	0.010	3	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5990	0.000	1	110.6732	0.056	9	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7125	0.357	4	110.6732	0.056	9	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|Ni<5>,1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6525	0.135	4	110.6732	0.056	9	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H){2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,5]C[5]H)	110.1837	0.892	6	110.1837	0.796	6	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|Si<4>,1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6107	0.381	7	110.6107	0.145	7	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8020	0.034	2	110.8020	0.001	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|N<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.2233	1.551	8	111.2233	2.407	8	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<2>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	108.6685	4.372	2	108.6685	19.115	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3795	0.016	2	110.3795	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3555	0.009	2	111.3555	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0165	0.006	2	111.2828	0.629	6	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.4160	0.989	4	111.2828	0.629	6	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7440	0.020	2	110.7440	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.5035	0.008	2	110.5035	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3672	0.332	23	110.6872	4.978	47	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9940	3.107	24	110.6872	4.978	47	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]Rh)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]Rh)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]RhH)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.6985	0.100	19	111.6985	0.010	19	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2045	0.043	2	111.2045	0.002	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8270	0.018	2	110.8270	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.9120	0.044	2	110.9120	0.002	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,2|O<2>,4|C<3>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.0460	0.062	2	111.0460	0.004	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3040	0.199	2	111.3040	0.040	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4560	0.000	1	110.9576	0.304	9	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|Ni<5>,1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6148	0.304	4	110.9576	0.304	9	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.4257	0.431	4	110.9576	0.304	9	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9960	0.000	1	110.9960	0.000	1	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(H){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.9685	0.012	2	110.9685	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9078	0.084	10	110.8667	0.013	16	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7622	0.147	4	110.8667	0.013	16	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8700	0.017	2	110.8667	0.013	16	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1905	0.009	2	111.1905	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9285	0.039	2	110.9285	0.002	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.5410	2.294	2	110.5410	5.262	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.3438	0.057	4	111.3438	0.003	4	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4095	0.012	2	111.4095	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	112.4285	4.137	2	112.4285	17.117	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|H<1>}	H(C[5]C[5,5]C[5]H)	111.0823	0.028	3	111.0823	0.001	3	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0680	0.014	2	111.0680	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0708	0.864	4	111.0708	0.746	4	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	109.8510	0.004	2	109.8510	0.000	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|N<3>,2|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	109.7690	0.062	2	109.7690	0.004	2	110.8535	1.693	295	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.0420	0.069	4	111.0420	0.005	4	111.0420	0.005	4	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6615	0.033	2	110.6615	0.001	2	110.6615	0.001	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(N[5]C[5]NiC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5258	0.055	4	110.5258	0.003	4	110.5258	0.003	4	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.2890	0.037	2	110.2890	0.001	2	110.2890	0.001	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.9345	0.008	2	110.9345	0.000	2	111.7354	1.243	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9220	0.038	2	110.9220	0.001	2	111.7354	1.243	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]IrH)(H)2	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]IrH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[6a]C[5]Ir)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.9944	0.199	8	111.9944	0.040	8	111.7354	1.243	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]PdH)(H)2	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]PdH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[6a]C[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.9282	1.870	6	111.9282	3.498	6	111.7354	1.243	18	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4035	0.336	2	110.4035	0.113	2	110.6067	1.619	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	109.3920	0.327	2	109.3920	0.107	2	110.6067	1.619	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){1|C<2>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	112.0245	0.906	2	112.0245	0.820	2	110.6067	1.619	6	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0250	0.035	4	110.9620	0.012	8	110.8965	0.017	15	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8990	0.128	4	110.9620	0.012	8	110.8965	0.017	15	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7343	0.061	4	110.8216	0.014	7	110.8965	0.017	15	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9380	0.041	3	110.8216	0.014	7	110.8965	0.017	15	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,3|H<1>}	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.7293	0.017	3	110.7293	0.000	3	110.7293	0.000	3	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7760	0.054	2	110.7760	0.003	2	110.7953	0.038	9	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|B<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5650	0.023	2	110.5650	0.001	2	110.7953	0.038	9	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9785	0.047	2	110.9785	0.002	2	110.7953	0.038	9	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8397	0.246	3	110.8397	0.061	3	110.7953	0.038	9	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]I)	108.2040	0.000	1	108.2040	0.000	1	108.2040	0.000	1	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]I)	107.8300	0.000	1	107.8300	0.000	1	108.1820	0.248	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]I)	108.5340	0.000	1	108.5340	0.000	1	108.1820	0.248	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]O[5]HH)(H){6|H<1>}	H(C[5]C[5,5]N[5]H)	110.8023	0.054	3	110.8023	0.003	3	110.8023	0.003	3	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2{3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	H(C[5]C[5,5]S[5]H)	110.6967	0.087	8	110.6967	0.008	8	110.8683	0.072	12	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2{3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5]S[5]H)	111.2113	0.097	4	111.2113	0.009	4	110.8683	0.072	12	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5,5]H)	110.7135	0.018	2	110.7135	0.000	2	110.7135	0.000	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.1420	0.011	2	111.1420	0.000	2	111.1420	0.000	2	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2{4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5,6]HH)(H){1|C<3>,3|O<2>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	112.1500	1.694	4	112.1500	2.868	4	112.1500	2.868	4	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<2>,1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.2440	0.000	1	110.6599	0.103	7	110.6058	0.133	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.7292	0.289	6	110.6599	0.103	7	110.6058	0.133	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.3765	0.013	2	110.3765	0.000	2	110.6058	0.133	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.1640	0.010	2	110.1640	0.000	2	110.6058	0.133	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.0880	0.020	2	111.0880	0.000	2	110.6058	0.133	13	110.8610	1.288	792	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,1|F<1>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5,5]H)	110.6310	0.020	2	110.6310	0.000	2	111.3810	4.457	4	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5,5]H)	112.1310	3.335	2	112.1310	11.120	2	111.3810	4.457	4	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]2H)	109.0065	1.999	2	109.0065	3.996	2	109.0065	3.996	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(CN)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(CN){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2H)	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]2)(H)2{4|H<1>,6|C<4>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]2H)	110.5160	0.031	2	110.5160	0.001	2	110.5160	0.001	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.6335	0.035	2	110.6335	0.001	2	110.7580	0.021	4	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8825	0.011	2	110.8825	0.000	2	110.7580	0.021	4	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6]){1|N<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1907	0.057	3	111.1907	0.003	3	111.1907	0.003	3	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	H(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]F)	112.7910	0.000	1	112.7910	0.000	1	112.7910	0.000	1	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5330	0.000	1	110.5330	0.000	1	110.8755	0.018	13	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5,5]C[5]H)	110.7380	0.007	2	110.7380	0.000	2	110.8755	0.018	13	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.9373	0.051	10	110.9373	0.003	10	110.8755	0.018	13	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.1565	0.013	2	111.1565	0.000	2	111.1565	0.000	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{2|H<1>,5|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9605	0.026	2	111.0257	0.013	3	110.3714	0.396	7	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.1560	0.000	1	111.0257	0.013	3	110.3714	0.396	7	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.0410	0.004	2	109.8808	0.034	4	110.3714	0.396	7	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	109.7205	0.013	2	109.8808	0.034	4	110.3714	0.396	7	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	109.5415	5.386	2	109.5415	29.009	2	109.5415	29.009	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.7350	4.855	2	111.7350	23.571	2	111.7350	23.571	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	111.0950	0.018	2	111.0950	0.000	2	111.0950	0.000	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3220	0.030	2	110.3220	0.001	2	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2{1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH){1|F<1>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7390	0.000	1	110.7390	0.000	1	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4655	0.006	2	110.4655	0.000	2	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){8|H<1>}	H(C[5]C[5,5]C[5]H)	111.0720	0.049	2	111.0720	0.002	2	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.6333	0.599	4	110.6333	0.358	4	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8967	0.217	3	110.8967	0.047	3	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	112.9180	1.223	2	112.9180	1.496	2	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH){1|F<1>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.4050	0.023	2	111.4050	0.001	2	111.0182	0.735	18	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.3755	0.013	4	111.3755	0.000	4	111.1803	0.030	10	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0242	0.050	4	111.0242	0.002	4	111.1803	0.030	10	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]2C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]H)	111.1020	0.013	2	111.1020	0.000	2	111.1803	0.030	10	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	109.9447	2.138	4	109.9447	4.570	4	109.9447	4.570	4	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6]){1|N<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.3205	0.067	2	110.3205	0.005	2	110.9080	1.873	25	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5841	0.304	9	110.5841	0.093	9	110.9080	1.873	25	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	113.4340	4.165	2	113.4340	17.346	2	110.9080	1.873	25	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.8277	1.061	12	110.8277	1.126	12	110.9080	1.873	25	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.9900	0.004	2	110.9900	0.000	2	110.9900	0.000	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5]){4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9120	0.011	2	110.9120	0.000	2	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6455	0.046	2	110.6455	0.002	2	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4395	0.052	2	110.4395	0.003	2	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,6|C<4>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7188	0.533	4	110.7188	0.284	4	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.2235	0.018	2	110.2235	0.000	2	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5]){1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	109.5840	3.227	2	109.5840	10.415	2	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]HH)(O[5]C[5,5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]HH)(O[5]C[5,5]){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7193	0.161	4	110.7193	0.026	4	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2{2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5]){1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.0190	1.121	2	110.0190	1.258	2	110.4699	0.824	20	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2{2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5]){1|C<4>,7|H<1>}	H(C[5]C[5,5]N[5]H)	111.9885	2.056	2	111.9885	4.225	2	111.9885	4.225	2	110.8246	1.548	126	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[3,5]C[5,5]H)	110.3810	0.007	2	110.3810	0.000	2	110.3810	0.000	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2{2|C<3>,2|N<3>,2|O<1>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	110.5025	0.011	2	110.5025	0.000	2	110.5025	0.000	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2H)	110.5360	0.195	4	110.5360	0.038	4	110.5673	0.025	6	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]2H)	110.6300	0.011	2	110.6300	0.000	2	110.5673	0.025	6	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(COO){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5]2H)	109.8915	0.019	2	109.8915	0.000	2	109.8915	0.000	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]2N[5])(C[5,5]C[5]3)(H)2{1|C<3>,2|C<4>,2|O<1>,2|O<2>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]2H)	110.8650	0.051	2	110.8650	0.003	2	110.8650	0.003	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>,4|O<2>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O){3|C<4>,4|O<2>,5|H<1>}	H(C[5]C[5,6,6]C[5,5]H)	110.7410	0.078	2	110.7410	0.006	2	110.7410	0.006	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	C[5,5](C[5]C[5]ClH)(C[5]C[5]2H)(C[5]N[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]ClH)(C[5]C[5]2H)(C[5]N[5]HH)(N[5]C[5]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]Cl)	108.1860	0.000	1	108.1860	0.000	1	108.2670	0.013	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	C[5,5](C[5]C[5]ClH)(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5]ClH)(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]H){1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]Cl)	108.3480	0.000	1	108.3480	0.000	1	108.2670	0.013	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.2260	0.008	2	110.2260	0.000	2	110.2260	0.000	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(COO){1|Fe<10>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.0380	0.018	2	111.0380	0.000	2	110.9443	0.006	6	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8975	0.041	4	110.8975	0.002	4	110.9443	0.006	6	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(COO){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.5070	0.007	2	110.5070	0.000	2	110.5070	0.000	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9615	0.015	2	110.9615	0.000	2	110.9615	0.000	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(COO){2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6360	1.400	4	110.6360	1.961	4	110.7858	0.482	14	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9650	0.210	4	110.9650	0.044	4	110.7858	0.482	14	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]O){1|S<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8470	0.018	2	110.8470	0.000	2	110.7858	0.482	14	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO){1|H<1>,1|S<4>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.6875	0.009	2	110.6875	0.000	2	110.7858	0.482	14	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)2(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7640	0.004	2	110.7640	0.000	2	110.7858	0.482	14	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.4915	0.030	4	110.4915	0.001	4	110.4915	0.001	4	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7301	0.092	8	110.7026	0.009	14	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7163	0.026	4	110.7026	0.009	14	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5650	0.072	2	110.7026	0.009	14	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6585	0.008	2	110.6585	0.000	2	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0083	0.035	4	110.9668	0.011	14	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8790	0.025	7	110.9668	0.011	14	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.1163	0.029	3	110.9668	0.011	14	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.0415	0.043	2	111.0415	0.002	2	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.4905	0.029	2	111.4905	0.001	2	110.8751	0.051	34	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.8445	0.057	2	110.8445	0.003	2	110.8445	0.003	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.1280	2.851	4	110.1280	8.130	4	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CO)(C[5]C[5]HH)2(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HH)2(C[5]O[5]O){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.3315	0.005	2	110.3315	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O){1|S<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0265	0.008	2	111.0265	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5685	0.037	2	110.5685	0.001	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)3(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[5,5](C[5]C[5]HH)3(C[5]N[5]O){1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8877	0.145	4	110.8877	0.021	4	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O){6|H<1>}	H(C[5]C[5,5]C[5]H)	110.4745	0.044	10	110.4745	0.002	10	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]C[5]O){1|S<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.1915	0.039	2	111.1915	0.002	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.5370	0.008	2	110.5370	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9920	0.014	2	110.8805	0.020	8	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9440	0.014	2	110.8805	0.020	8	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9310	0.013	2	110.8805	0.020	8	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6550	0.052	2	110.8805	0.020	8	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(C[5]C[5]O){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6370	0.010	2	110.6370	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5]CO)(C[5]C[5]HH)2(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HH)2(C[5]O[5]O){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.9150	0.013	2	110.9150	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CH)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3300	0.021	2	111.3300	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2130	0.020	2	111.2130	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9920	0.007	2	110.9920	0.000	2	110.7247	0.655	46	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8080	0.045	2	110.8080	0.002	2	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7265	0.234	2	110.7265	0.055	2	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6445	0.033	2	110.6445	0.001	2	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.9160	0.216	4	110.9160	0.047	4	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]CC)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CC)(N[5]C[5]S){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4170	0.040	3	110.4170	0.002	3	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)3(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)3(N[5]C[5]S){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	111.1580	0.166	4	111.1580	0.028	4	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0770	0.020	2	110.9627	0.018	4	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){2|C<3>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8485	0.005	2	110.9627	0.018	4	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){2|C<3>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	111.0645	0.012	2	111.0645	0.000	2	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5]C[5]HH)3(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)3(N[5]C[5]S){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.4855	0.009	2	110.4855	0.000	2	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2	C[5,5](C[5]C[5]HH)2(C[5]N[5]CC)(N[5]C[5]S)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2{2|C<4>,2|H<1>,2|S<4>,4|C<3>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CC)(N[5]C[5]S){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.4197	0.070	4	110.4197	0.005	4	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	109.5865	1.405	2	109.5865	1.974	2	110.7003	0.235	31	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2{1|O<1>,2|H<1>,3|O<2>,6|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O){2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2880	0.049	3	111.2880	0.002	3	111.2880	0.002	3	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O){3|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.2230	0.018	2	111.2230	0.000	2	111.2230	0.000	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.3120	0.033	2	110.3120	0.001	2	110.3120	0.001	2	110.7132	0.373	169	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,3x6]C[5,5]H)	110.5075	0.026	2	110.5075	0.001	2	110.5075	0.001	2	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,5|H<1>,7|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,5]H)	110.0547	0.015	3	110.0729	0.001	7	110.2247	0.898	9	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{2|C<3>,5|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,5]H)	110.0865	0.040	4	110.0729	0.001	7	110.2247	0.898	9	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5]C[5]C)(H)2{2|C<3>,5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,5]H)	110.7560	2.540	2	110.7560	6.451	2	110.2247	0.898	9	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]C[5]O[5]2)(H)2	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]C[5]O[5]2)(H)2{4|H<1>,5|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5]2H)	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	110.8563	0.043	4	110.9175	0.010	6	110.9175	0.010	6	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2{2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	111.0400	0.042	2	110.9175	0.010	6	110.9175	0.010	6	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5,6]HH)(H)2	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.8290	0.000	1	110.8290	0.000	1	102.9017	64.930	3	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)2(CH3){1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	98.9381	5.966	2	98.9381	35.598	2	102.9017	64.930	3	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.2115	0.011	2	111.2115	0.000	2	111.2115	0.000	2	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.6685	0.012	2	110.6685	0.000	2	110.6685	0.000	2	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]CC)(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6650	0.016	2	110.6650	0.000	2	111.0182	0.166	4	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3715	0.006	2	111.3715	0.000	2	111.0182	0.166	4	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,8|H<1>}	H(C[5]C[5,5]C[5]H)	110.4005	0.039	2	110.4005	0.002	2	110.3971	0.063	9	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.7880	0.010	2	110.7880	0.000	2	110.3971	0.063	9	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3720	0.021	2	110.2394	0.019	5	110.3971	0.063	9	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.1510	0.091	3	110.2394	0.019	5	110.3971	0.063	9	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	109.4895	0.008	2	109.4895	0.000	2	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.8790	0.011	2	110.8790	0.000	2	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.3647	0.011	7	110.3647	0.000	7	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.8335	1.009	2	110.8335	1.018	2	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1495	0.012	2	111.1495	0.000	2	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CCHH){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.5178	0.462	4	110.5178	0.213	4	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.7900	0.075	2	110.8460	0.006	4	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.9020	0.016	2	110.8460	0.006	4	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO){3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8290	0.393	2	110.8290	0.155	2	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)2(CH3){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3360	0.000	2	110.3360	0.000	2	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtH)(H)2{3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(CH3){1|Pt<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	109.6527	1.668	4	109.6527	2.783	4	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtO)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtO)(H)2{3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(CH3){1|Pt<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]H)	109.7812	4.255	4	109.7812	18.107	4	110.3651	2.149	35	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8429	0.237	15	110.8429	0.056	15	110.8429	0.056	15	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH){8|H<1>}	H(C[5]C[5,5]C[5]H)	111.2750	0.013	2	111.2750	0.000	2	111.2750	0.000	2	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.6785	0.065	4	110.5744	0.027	8	110.5744	0.027	8	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4702	0.172	4	110.5744	0.027	8	110.5744	0.027	8	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,8|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6217	0.115	3	110.7905	0.029	11	110.6547	0.029	40	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,8|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8538	0.144	8	110.7905	0.029	11	110.6547	0.029	40	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.6113	0.160	19	110.6113	0.026	19	110.6547	0.029	40	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)2{8|H<1>}	H(C[5]C[5,5]C[5]H)	110.6363	0.087	4	110.6363	0.008	4	110.6547	0.029	40	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN){1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5817	0.148	4	110.5558	0.015	6	110.6547	0.029	40	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,3|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN){1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	110.5040	0.013	2	110.5558	0.015	6	110.6547	0.029	40	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.7625	0.025	2	110.7625	0.001	2	110.7625	0.001	2	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(CHHN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(CHHN){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.9897	0.012	3	110.9897	0.000	3	110.8194	0.030	7	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(CHHN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(CHHN){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	110.6917	0.092	4	110.6917	0.008	4	110.8194	0.030	7	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.2905	0.836	4	110.2905	0.699	4	110.2443	0.477	19	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN){8|H<1>}	H(C[5]C[5,5]C[5]H)	110.2320	0.680	15	110.2320	0.462	15	110.2443	0.477	19	110.4208	2.454	166	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:1:1:	5:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-5:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2{1|Ru<11>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5455	0.005	2	110.5455	0.000	2	110.5455	0.000	2	110.5455	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	2:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	O[5]-2:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H)	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.6863	0.353	3	111.6863	0.125	3	111.6863	0.125	3	111.6863	0.125	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:2:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]O)	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:3:4:4:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]O)	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]O)	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:2:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H){1|O<1>,4|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]O)	107.5043	0.484	3	107.5043	0.234	3	107.5043	0.234	3	107.5043	0.234	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H){1|C<3>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	109.5220	0.000	1	109.5220	0.000	1	109.2330	0.167	2	112.7185	16.863	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.9440	0.000	1	108.9440	0.000	1	109.2330	0.167	2	112.7185	16.863	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	H(C[5]C[5,5]C[5]O)	116.2040	1.352	2	116.2040	1.828	2	116.2040	1.828	2	112.7185	16.863	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,4|H<1>}	H(C[5]C[5,5]O[5]C)	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]2O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]2O)	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-2:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5,6]C)	111.0250	0.000	1	111.0250	0.000	1	111.0250	0.000	1	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	H(C[5]C[5,5]C[5]O)	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.9230	0.000	1	110.7205	1.272	2	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]O)	111.5180	0.000	1	110.7205	1.272	2	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.3110	0.000	1	109.3110	0.000	1	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]O)	109.8512	0.409	4	109.8512	0.167	4	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.2545	0.262	2	111.2545	0.069	2	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.5270	0.000	1	112.5270	0.000	1	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	109.8740	0.000	1	110.5407	0.826	3	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.5760	0.000	1	110.5407	0.826	3	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	110.1720	0.000	1	110.5407	0.826	3	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	111.8670	0.557	2	111.8670	0.310	2	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.4200	0.000	1	109.4200	0.000	1	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	108.9825	0.078	2	110.4151	1.806	7	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]O)	111.4643	0.428	4	110.4151	1.806	7	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.0840	0.000	1	110.4151	1.806	7	110.5598	1.271	23	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]O)	112.2680	0.303	2	112.2680	0.092	2	112.2680	0.092	2	110.7166	1.492	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]CH)(CN)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]CH)(CN)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	108.6614	1.305	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]O)	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	108.6614	1.305	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]C[5]O)	108.8275	0.047	2	108.7810	0.008	3	109.3203	1.168	4	108.6614	1.305	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]O)	108.6880	0.000	1	108.7810	0.008	3	109.3203	1.168	4	108.6614	1.305	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.9380	0.000	1	110.9380	0.000	1	109.3203	1.168	4	108.6614	1.305	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	108.6863	0.596	3	108.6863	0.355	3	108.6863	0.355	3	108.6614	1.305	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]O)	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	111.1215	0.021	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.1215	0.021	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,5]C[5]O)	112.3560	0.000	1	112.3560	0.000	1	109.6710	10.736	3	109.6710	10.736	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,5]C[5]O)	108.3285	3.265	2	108.3285	10.658	2	109.6710	10.736	3	109.6710	10.736	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,5]C[5]O)	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	109.9500	0.149	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	109.9500	0.149	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O)	105.0560	0.000	1	105.0560	0.000	1	108.4347	8.679	3	108.4347	8.679	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H){2|C<3>,2|O<1>}	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]O)	110.1240	0.485	2	110.1240	0.235	2	108.4347	8.679	3	108.4347	8.679	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:3:4:	4:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	H(C[5]C[5,3x6]C[5,5]O)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	H(C[5]C[5,3x6]C[5,5]O)	113.3400	0.147	2	113.3400	0.022	2	113.3400	0.022	2	113.3400	0.022	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	109.4158	0.386	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.4158	0.386	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O)	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	109.4158	0.386	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.2625	0.128	2	109.2625	0.016	2	109.2625	0.016	2	109.4158	0.386	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O[5])	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	109.4158	0.386	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:2:	4:	C[3,5]-4:C[5,5]-4:N-2:H-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H)	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5])	H(C[5]C[3,5]C[5,5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5,5]N)	112.8140	0.417	2	112.8140	0.174	2	112.8140	0.174	2	109.5689	7.359	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H){1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){4|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.0540	0.000	1	107.0540	0.000	1	107.0540	0.000	1	109.5689	7.359	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]O)	110.2550	1.117	2	109.0580	4.923	3	108.5750	4.215	4	109.5689	7.359	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|O<2>,5|C<3>}	H(C[5]C[5,5]C[5]O)	106.6640	0.000	1	109.0580	4.923	3	108.5750	4.215	4	109.5689	7.359	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]O)	107.1260	0.000	1	107.1260	0.000	1	108.5750	4.215	4	109.5689	7.359	7	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]O)	110.4437	0.415	3	110.4437	0.173	3	110.4437	0.173	3	110.4437	0.173	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]O)	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H)	H(C[5]C[3,5]C[5,5]O)	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[3,5]C[5,5]O)	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5]-4:O-2:H-1:	C[3x5,6]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H)	H(C[5]C[5,5,6]C[5,5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H){1|N<2>,3|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H){3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]O)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	108.2120	0.000	1	108.2120	0.000	1	108.7140	0.504	2	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]C)	109.2160	0.000	1	109.2160	0.000	1	108.7140	0.504	2	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[3]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[3]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H){1|C<2>,1|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[3]O[5])	108.4255	0.088	2	108.4255	0.008	2	108.4255	0.008	2	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[4,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H)	H(C[5]C[4,5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H){4|C<4>}	H(C[5]C[4,5]C[5,5]O)	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]2O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5,5]2O)	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){4|C<4>}	H(C[5]C[5,5]C[5]N)	110.1160	1.308	3	110.1160	1.710	3	110.1160	1.710	3	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]O)	111.3410	0.000	1	111.3410	0.000	1	110.8830	0.420	2	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.4250	0.000	1	110.4250	0.000	1	110.8830	0.420	2	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H)	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H){1|C<3>,4|C<4>}	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]O)	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	H(C[5]C[5,5]C[5]O)	110.0140	0.000	1	110.0140	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	110.4620	0.000	1	110.4620	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	108.3210	0.000	1	108.3210	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O)	109.1410	0.000	1	109.1410	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|F<1>,1|N<3>,6|H<1>}	H(C[5]C[5,5]C[5]O)	107.5700	0.000	1	107.5700	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]O)	110.3485	2.517	2	110.3485	6.333	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.8995	0.214	2	110.8995	0.046	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.2400	0.000	1	112.2400	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	112.4270	0.000	1	112.4270	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.4800	0.000	2	109.4800	0.000	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.3930	0.000	2	109.3930	0.000	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]O)	112.3170	0.000	1	112.3170	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	H(C[5]C[5,5]C[5]O)	110.5620	0.000	1	110.5620	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.6990	0.000	1	111.9014	0.383	20	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.5760	0.000	1	111.9014	0.383	20	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.7812	0.444	6	111.9014	0.383	20	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.2840	0.647	4	111.9014	0.383	20	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	112.3664	0.471	8	111.9014	0.383	20	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.4320	0.000	1	112.4320	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	112.5090	0.000	1	112.5090	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.9710	0.460	2	111.9710	0.211	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	113.0940	0.000	1	112.8828	0.122	4	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	112.8123	0.391	3	112.8828	0.122	4	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.6620	0.000	1	110.1123	1.492	3	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	110.3375	1.637	2	110.1123	1.492	3	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.5720	0.000	1	109.5720	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.5930	0.000	1	111.5930	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.0050	1.311	2	110.0050	1.719	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.7360	1.274	2	111.7360	1.624	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	112.6020	0.000	1	112.6020	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.9980	0.000	1	111.9980	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.6560	0.000	1	111.0313	2.564	3	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.6510	0.000	1	111.0313	2.564	3	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	112.7870	0.000	1	111.0313	2.564	3	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	111.5945	0.677	2	111.5945	0.458	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.7040	0.266	2	111.2017	1.214	39	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<5>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.5590	0.049	2	111.2017	1.214	39	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.1526	1.153	35	111.2017	1.214	39	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	109.5320	0.000	1	109.5320	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	112.3310	0.000	1	112.3310	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]O)	109.4440	0.000	1	109.4440	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.7743	0.556	3	111.7743	0.309	3	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.4613	1.828	13	111.4613	3.341	13	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.3650	0.000	1	111.3650	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.0583	0.579	4	110.0583	0.335	4	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H){1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O)	108.3030	0.000	1	108.3030	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	112.2520	0.000	1	112.2520	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.9150	0.000	1	111.7758	0.646	6	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.9480	0.765	5	111.7758	0.646	6	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.9590	1.300	2	110.9590	1.689	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.7040	0.000	1	109.3962	3.902	9	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.4120	0.000	1	109.3962	3.902	9	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]O)	108.3610	0.000	1	109.3962	3.902	9	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	108.8424	2.177	5	109.3962	3.902	9	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	108.8770	0.000	1	109.3962	3.902	9	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.2520	0.000	1	111.2520	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	112.1435	0.438	2	112.1435	0.192	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	112.3005	0.177	2	112.3005	0.032	2	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	112.1010	0.000	1	112.1010	0.000	1	111.1519	1.990	149	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O[5])	109.7930	0.802	3	109.7930	0.643	3	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.0300	0.000	1	109.0300	0.000	1	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.7153	1.980	3	109.7153	3.921	3	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.1497	0.310	4	108.8754	0.495	13	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.3700	0.000	1	108.8754	0.495	13	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O[5])	108.1810	0.000	1	108.8754	0.495	13	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.6088	1.030	4	108.8754	0.495	13	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.7190	0.938	2	108.8754	0.495	13	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){3|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.3570	0.000	1	108.8754	0.495	13	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]O[5])	108.9680	0.000	1	108.9680	0.000	1	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O[5])	110.2830	0.000	1	110.2830	0.000	1	109.1903	0.931	22	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:S-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]S)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]S)	111.4995	0.607	2	111.4995	0.369	2	111.4995	0.369	2	110.7896	2.438	187	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5])	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,7|C<4>}	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5]){1|O<2>,4|H<1>,6|C<4>}	H(C[5]C[5,5]C[5,6]O)	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	109.8407	3.160	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H){1|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	H(C[5]C[5,5]C[5]O)	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	109.8407	3.160	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.3990	0.126	2	111.3990	0.016	2	110.2955	2.289	4	109.8407	3.160	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	108.1970	0.000	1	108.1970	0.000	1	110.2955	2.289	4	109.8407	3.160	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H){1|H<1>,5|C<4>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.1870	0.000	1	110.1870	0.000	1	110.2955	2.289	4	109.8407	3.160	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O)	106.8830	0.000	1	106.8830	0.000	1	109.4210	12.883	2	108.7573	7.763	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.9590	0.000	1	111.9590	0.000	1	109.4210	12.883	2	108.7573	7.763	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	108.7573	7.763	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H)	H(C[5]C[5,5]2O)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H){2|C<4>,6|H<1>}	H(C[5]C[5,5]2O)	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5,6]O)	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	108.7570	0.100	2	108.7570	0.010	2	108.7570	0.010	2	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]O)	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H){1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]O)	112.0020	0.000	1	112.0020	0.000	1	111.3520	0.845	2	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.7020	0.000	1	110.7020	0.000	1	111.3520	0.845	2	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5]C[5]O)	112.1180	0.000	1	112.1180	0.000	1	110.4442	3.740	4	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	109.9560	0.000	1	109.9560	0.000	1	110.4442	3.740	4	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.7850	0.000	1	111.7850	0.000	1	110.4442	3.740	4	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|S<1>,3|H<1>}	H(C[5]C[5,5]C[5]O)	107.9180	0.000	1	107.9180	0.000	1	110.4442	3.740	4	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5,6]O)	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	110.3489	3.381	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H)	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]N)	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	110.2498	13.287	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	110.2498	13.287	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H)	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	110.2498	13.287	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H)	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.6560	0.000	1	111.6560	0.000	1	113.8360	9.505	2	110.2498	13.287	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H)	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	116.0160	0.000	1	116.0160	0.000	1	113.8360	9.505	2	110.2498	13.287	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H)	C[5,5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]C)(N[5]C[5]H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]C)(N[5]C[5]H){1|O<1>,4|H<1>}	H(C[5]C[5,5]O[5]C)	108.8815	1.081	2	108.8815	1.169	2	108.8815	1.169	2	109.2111	0.739	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H)	C[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5]C[5,6]HO)(C[5]C[5]H)(CCO)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5]C[5,6]HO)(C[5]C[5]H)(CCO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]O)	108.9245	0.153	2	108.9245	0.024	2	108.9245	0.024	2	109.2111	0.739	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H)	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H){1|C<2>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]O)	108.8795	0.127	2	108.8795	0.016	2	108.8795	0.016	2	109.2111	0.739	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.2111	0.739	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	109.2111	0.739	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H)	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]O)	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.2111	0.739	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO)	H(C[5]C[5,3x6]C[5,5]O)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO){1|C<4>,1|O<2>,1|S<2>,2|N<3>,4|H<1>,6|C<3>}	H(C[5]C[5,3x6]C[5,5]O)	111.2615	0.503	2	111.2615	0.253	2	111.2615	0.253	2	111.2615	0.253	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,5]O[5]C)	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)(C[5]O[5]CH)(H){1|O<1>}	H(C[5]C[5,5]O[5]C)	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2O)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]2O)	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]CH)(H){3|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]C)	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	H(C[5]C[5,5]C[5]N)	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.1740	0.000	1	111.1740	0.000	1	111.7685	0.707	2	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.3630	0.000	1	112.3630	0.000	1	111.7685	0.707	2	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]O)	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]O)	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O)	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H){1|O<1>,4|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]O)	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H){2|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]O)	110.4615	0.258	2	110.4615	0.067	2	110.4615	0.067	2	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]O)	109.0900	0.000	1	109.0900	0.000	1	110.3074	1.339	8	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.7930	0.000	1	109.7930	0.000	1	110.3074	1.339	8	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,7|H<1>}	H(C[5]C[5,5]C[5]O)	110.4785	1.596	2	110.4785	2.547	2	110.3074	1.339	8	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|H<1>}	H(C[5]C[5,5]C[5]O)	111.4055	0.182	2	111.4055	0.033	2	110.3074	1.339	8	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]O)	110.9650	0.000	1	110.9650	0.000	1	110.3074	1.339	8	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]O)	108.8430	0.000	1	108.8430	0.000	1	110.3074	1.339	8	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	H(C[5]C[5,5]C[5]O)	110.9950	0.000	1	110.9950	0.000	1	111.2595	0.140	2	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	H(C[5]C[5,5]C[5]O)	111.5240	0.000	1	111.5240	0.000	1	111.2595	0.140	2	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,4|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]O[5])	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H)	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,5](C[5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	107.5225	0.127	2	107.5225	0.016	2	107.5225	0.016	2	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5,6]O)	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	109.9994	1.744	26	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(CN)	H(C[5]C[5,5]C[4]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(CN){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[4]O[5])	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H)	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5])	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]N)	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.6330	0.000	1	109.6330	0.000	1	109.5178	1.728	5	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]O)	108.7580	0.000	1	108.7580	0.000	1	109.5178	1.728	5	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	108.7235	0.269	2	108.7235	0.073	2	109.5178	1.728	5	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.7510	0.000	1	111.7510	0.000	1	109.5178	1.728	5	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]O)	107.1075	0.456	2	107.1075	0.208	2	107.1075	0.208	2	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.1950	0.199	2	109.7410	0.914	3	109.7410	0.914	3	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	110.8330	0.000	1	109.7410	0.914	3	109.7410	0.914	3	108.9027	2.111	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]C[4]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[4]O[5])	108.5120	0.000	1	108.4315	0.013	2	108.3593	0.022	3	108.7965	0.984	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]C[4]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[4]O[5])	108.3510	0.000	1	108.4315	0.013	2	108.3593	0.022	3	108.7965	0.984	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]C[4]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[4]O[5])	108.2150	0.000	1	108.2150	0.000	1	108.3593	0.022	3	108.7965	0.984	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CN)(H)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CN)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	108.7965	0.984	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S){8|H<1>}	H(C[5]C[5,5]C[5]O)	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	108.7965	0.984	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]2Fe)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]2Fe)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(COO){1|Fe<10>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	108.7965	0.984	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H)	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H){2|C<4>,8|H<1>}	C[5,5](C[5]C[5]HH)3(C[5]C[5]HN){1|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]N)	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.7204	2.899	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	H(C[5]C[5,5]C[5]O)	107.3950	0.000	1	107.3950	0.000	1	108.9150	4.621	2	110.7204	2.899	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]O)	110.4350	0.000	1	110.4350	0.000	1	108.9150	4.621	2	110.7204	2.899	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]O)	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	110.7204	2.899	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO){8|H<1>}	H(C[5]C[5,5]C[5]O)	111.9512	0.331	5	111.9512	0.110	5	111.9512	0.110	5	110.7204	2.899	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:2:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:S[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	109.8115	0.769	2	109.8115	0.591	2	109.8115	0.591	2	109.8115	0.591	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:2:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:2:4:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2{2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.7420	0.000	1	106.7420	0.000	1	106.6205	0.030	2	106.6205	0.030	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:2:4:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)2{2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.4990	0.000	1	106.4990	0.000	1	106.6205	0.030	2	106.6205	0.030	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:2:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.9802	1.074	4	108.9802	1.152	4	108.9802	1.152	4	108.9802	1.152	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.5630	0.000	1	107.5630	0.000	1	108.2973	0.480	3	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.6645	0.390	2	108.6645	0.152	2	108.2973	0.480	3	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.6940	0.000	1	108.6940	0.000	1	107.7902	0.680	5	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.2620	0.000	1	106.9530	0.191	2	107.7902	0.680	5	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	106.6440	0.000	1	106.9530	0.191	2	107.7902	0.680	5	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.2530	0.000	1	108.1755	0.012	2	107.7902	0.680	5	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.0980	0.000	1	108.1755	0.012	2	107.7902	0.680	5	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.9280	0.754	2	107.9280	0.568	2	107.9280	0.568	2	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H){1|H<1>,1|N<3>,2|C<4>,2|N<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]2)	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5080	0.000	1	106.5835	0.011	2	106.5835	0.011	2	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.6590	0.000	1	106.5835	0.011	2	106.5835	0.011	2	107.8412	0.799	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	105.9750	0.000	1	105.9750	0.000	1	106.1295	0.048	2	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]2C)	106.2840	0.000	1	106.2840	0.000	1	106.1295	0.048	2	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5,5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5])	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5]){2|C<4>,6|H<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.4445	0.602	2	108.4445	0.362	2	108.3387	0.087	6	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.1650	0.000	1	108.1650	0.000	1	108.3387	0.087	6	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.3640	0.000	1	108.3640	0.000	1	108.3387	0.087	6	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.3070	0.127	2	108.3070	0.016	2	108.3387	0.087	6	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	105.4960	0.025	2	105.4960	0.001	2	106.6033	1.637	4	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.7105	0.083	2	107.7105	0.007	2	106.6033	1.637	4	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.9510	0.000	1	108.9510	0.000	1	108.7292	0.060	6	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.6140	0.000	1	108.6140	0.000	1	108.7292	0.060	6	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.7025	0.280	4	108.7025	0.079	4	108.7292	0.060	6	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.4310	0.000	1	108.4310	0.000	1	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	109.0970	0.000	1	109.0970	0.000	1	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.1070	0.000	1	108.1070	0.000	1	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.5810	0.000	1	108.5810	0.000	1	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	105.1850	0.000	1	105.1850	0.000	1	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.5335	0.435	2	108.5335	0.189	2	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	109.0060	0.596	4	109.0060	0.356	4	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.4870	0.000	1	108.4870	0.000	1	108.4149	1.246	12	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	107.0265	0.392	2	107.0265	0.154	2	107.0265	0.154	2	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[5a]C[5])	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7350	0.000	1	105.7350	0.000	1	105.7350	0.000	1	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7640	0.000	1	105.7640	0.000	1	105.7640	0.000	1	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.7270	0.000	1	108.7270	0.000	1	107.2086	0.870	5	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1180	0.000	1	106.8290	0.200	4	107.2086	0.870	5	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4970	0.000	1	106.8290	0.200	4	107.2086	0.870	5	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8505	0.636	2	106.8290	0.200	4	107.2086	0.870	5	107.7507	1.446	43	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(CNO)(H)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(CNO)(H){1|N<2>,3|C<3>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	104.4970	4.055	2	104.4970	16.439	2	104.4970	16.439	2	104.4970	16.439	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5]-4:S[5]-2:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.7450	0.000	2	107.7450	0.000	2	107.7450	0.000	2	107.1627	1.017	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:2:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]CC)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O[5]C[5])2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]CC)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O[5]C[5])2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]C)	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	107.1627	1.017	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	109.0967	4.285	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H){1|C<3>,4|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	109.3080	0.000	1	109.3080	0.000	1	110.1805	1.523	2	109.0967	4.285	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	111.0530	0.000	1	111.0530	0.000	1	110.1805	1.523	2	109.0967	4.285	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H){1|N<2>,1|S<2>,2|N<3>,2|O<1>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]){1|S<2>,5|C<3>}	H(C[5]C[5,5]2C)	104.8740	0.000	1	104.8740	0.000	1	104.8740	0.000	1	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	H(C[5]C[5,5]2C[6a])	104.2720	0.000	2	104.2720	0.000	2	104.2720	0.000	2	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,7|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.9020	0.126	2	104.9020	0.016	2	104.9020	0.016	2	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.6330	0.000	1	108.6330	0.000	1	108.7303	0.773	7	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	109.6760	0.000	1	109.6760	0.000	1	108.7303	0.773	7	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.8750	0.000	2	107.8827	0.000	3	108.7303	0.773	7	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.8980	0.000	1	107.8827	0.000	3	108.7303	0.773	7	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	109.3120	0.000	1	109.5775	0.141	2	108.7303	0.773	7	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.8430	0.000	1	109.5775	0.141	2	108.7303	0.773	7	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.6330	0.000	1	108.6330	0.000	1	108.3670	0.142	2	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H){1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.1010	0.000	1	108.1010	0.000	1	108.3670	0.142	2	107.1386	4.170	15	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H){1|N<2>,1|S<2>,2|N<3>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]2C)	104.8280	0.000	1	104.8280	0.000	1	104.8280	0.000	1	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	105.2090	0.000	1	105.2090	0.000	1	106.0550	1.431	2	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){3|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	106.9010	0.000	1	106.9010	0.000	1	106.0550	1.431	2	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]2)(CC[6a]O)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]2)(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,3|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C)	106.0637	0.084	3	106.0637	0.007	3	106.0637	0.007	3	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<1>,2|O<1>,3|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5]2C[5a])	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<1>,2|O<1>,3|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<1>,5|C<3>}	H(C[5]C[5,5]2C[5a])	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5,5]2C[6a])	102.7185	0.009	2	102.7185	0.000	2	102.7185	0.000	2	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]2C[6a])	104.8760	0.000	1	104.8760	0.000	1	104.5710	0.172	3	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	104.0980	0.000	1	104.4185	0.205	2	104.5710	0.172	3	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	104.7390	0.000	1	104.4185	0.205	2	104.5710	0.172	3	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O){2|C<4>,5|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	105.0660	0.000	1	105.0660	0.000	1	105.0660	0.000	1	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<1>,3|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.6300	0.000	1	104.6300	0.000	1	104.6300	0.000	1	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	105.9460	0.000	1	105.9460	0.000	1	106.9902	3.549	6	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H){1|N<3>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.5480	0.000	1	107.5480	0.000	1	106.9902	3.549	6	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.3760	0.000	1	107.3760	0.000	1	106.9902	3.549	6	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	105.3830	0.204	2	105.3830	0.041	2	106.9902	3.549	6	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	110.3050	0.000	1	110.3050	0.000	1	106.9902	3.549	6	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.1360	0.000	1	108.1360	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	109.2490	0.000	1	109.2490	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.1280	0.000	1	108.1280	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	109.2080	0.000	1	109.2080	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.5950	0.000	1	107.5950	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.8270	0.000	1	108.8270	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.6650	0.000	1	107.6650	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.9220	0.000	1	108.9220	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	109.1940	0.000	1	109.1940	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.8402	0.401	5	107.8402	0.161	5	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.5910	0.000	1	108.5195	0.270	4	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.4465	0.889	2	108.5195	0.270	4	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.5940	0.000	1	108.5195	0.270	4	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	109.1270	0.000	1	109.1270	0.000	1	108.3858	0.411	19	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5465	0.211	2	106.5465	0.045	2	106.5465	0.045	2	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3460	0.000	1	107.2230	0.030	2	107.2230	0.030	2	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1000	0.000	1	107.2230	0.030	2	107.2230	0.030	2	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]N)	108.6555	0.148	2	108.6555	0.022	2	108.6555	0.022	2	107.0039	3.055	48	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,6|C<3>}	H(C[5]C[5,5]2C)	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	108.3023	6.867	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5,6]C)	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	108.3023	6.867	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	108.3023	6.867	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,5]2C)	108.4780	0.000	1	108.4780	0.000	1	108.2634	1.017	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,5]2C)	106.0680	0.000	1	106.0680	0.000	1	108.2634	1.017	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,5]2C)	108.8713	0.052	3	108.8713	0.003	3	108.2634	1.017	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,5]2C)	108.5790	0.000	1	108.5790	0.000	1	108.2634	1.017	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]2C)	108.1050	0.000	1	108.1050	0.000	1	108.2634	1.017	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H){2|H<1>,9|C<3>}	H(C[5]C[5,5]2C[6a])	106.2950	0.000	1	106.2950	0.000	1	106.2950	0.000	1	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5,6]C)	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	109.0980	0.000	1	108.9145	0.067	2	108.7670	0.099	3	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.7310	0.000	1	108.9145	0.067	2	108.7670	0.099	3	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]C)	108.4720	0.000	1	108.4720	0.000	1	108.7670	0.099	3	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H){5|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	105.3550	0.000	1	105.3550	0.000	1	105.3550	0.000	1	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H)	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	109.8800	0.178	2	109.8800	0.032	2	109.7390	0.570	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	109.5435	0.400	2	109.5435	0.160	2	109.7390	0.570	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	110.0070	1.669	2	109.7753	1.553	3	109.7390	0.570	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	109.3120	0.000	1	109.7753	1.553	3	109.7390	0.570	7	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H)	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	110.4760	0.000	1	110.4760	0.000	1	109.3965	1.216	4	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.4180	0.000	1	108.4180	0.000	1	109.3965	1.216	4	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.4740	0.000	1	108.4740	0.000	1	109.3965	1.216	4	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,5]C[5]C)	110.2180	0.000	1	110.2180	0.000	1	109.3965	1.216	4	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5355	0.218	2	106.5927	0.020	4	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6500	0.023	2	106.5927	0.020	4	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.6150	0.000	1	110.6150	0.000	1	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7240	0.000	1	108.0726	0.183	10	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.0840	0.000	1	108.0726	0.183	10	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.3610	0.000	1	108.0726	0.183	10	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.0796	0.491	7	108.0726	0.183	10	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9585	0.443	2	107.9585	0.197	2	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6930	0.000	1	108.6930	0.000	1	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9770	0.185	2	106.9770	0.034	2	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.9710	0.000	1	108.9710	0.000	1	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.5660	0.000	1	108.5660	0.000	1	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.6100	0.000	1	107.6100	0.000	1	107.8880	0.930	23	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]N)	108.7915	0.039	2	108.7915	0.002	2	108.8745	0.087	13	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]N)	108.8713	0.229	7	108.8713	0.052	7	108.8745	0.087	13	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]N)	109.1560	0.000	1	109.1560	0.000	1	108.8745	0.087	13	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]N)	109.2810	0.000	1	109.2810	0.000	1	108.8745	0.087	13	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]N)	108.2120	0.000	1	108.2120	0.000	1	108.8745	0.087	13	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]N)	109.0370	0.000	1	109.0370	0.000	1	108.8745	0.087	13	108.4211	1.261	61	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.2605	0.012	2	108.2605	0.000	2	108.2605	0.000	2	108.2605	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]2C)	106.3480	0.000	1	106.3480	0.000	1	106.1172	0.027	4	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]2)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]2)(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,3|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]2C)	106.0403	0.068	3	106.0403	0.005	3	106.1172	0.027	4	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	108.7350	0.000	1	108.7350	0.000	1	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	H(C[5]C[5,5]2C)	108.0770	0.000	1	108.0770	0.000	1	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	105.2520	0.000	1	105.2520	0.000	1	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2C)	108.1590	0.000	1	108.1590	0.000	1	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	108.2110	0.000	1	108.2110	0.000	1	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]2C)	106.5077	0.374	3	106.5077	0.140	3	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]2C)	106.1155	0.168	2	106.1527	0.018	3	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	106.2270	0.000	1	106.1527	0.018	3	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	106.0270	0.000	1	106.3612	0.088	6	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	106.2180	0.000	1	106.3612	0.088	6	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	106.3270	0.000	1	106.3612	0.088	6	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	106.3425	0.074	2	106.3612	0.088	6	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	H(C[5]C[5,5]2C)	106.9100	0.000	1	106.3612	0.088	6	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(COO)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]2C)	106.1970	0.181	2	106.1970	0.033	2	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)2(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)2(COO)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	H(C[5]C[5,5]2C)	106.1745	0.107	2	106.1745	0.011	2	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	105.2530	0.000	1	105.2530	0.000	1	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	106.9180	0.000	1	106.9180	0.000	1	106.5868	0.816	23	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	106.8330	0.000	1	106.5230	0.192	2	105.2592	1.419	5	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.2130	0.000	1	106.5230	0.192	2	105.2592	1.419	5	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	104.2600	0.119	2	104.4167	0.081	3	105.2592	1.419	5	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,5|C<3>,8|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	104.7300	0.000	1	104.4167	0.081	3	105.2592	1.419	5	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.8020	0.000	1	107.8020	0.000	1	107.8718	0.962	12	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.2052	0.878	6	107.2052	0.770	6	107.8718	0.962	12	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.6858	0.433	5	108.6858	0.187	5	107.8718	0.962	12	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.0150	0.230	4	106.9482	0.701	6	107.3804	1.061	9	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	105.5310	0.000	1	106.9482	0.701	6	107.3804	1.061	9	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.0980	0.000	1	106.9482	0.701	6	107.3804	1.061	9	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.7255	0.035	2	108.2450	0.810	3	107.3804	1.061	9	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){2|H<1>,2|S<4>,3|C<3>}	H(C[5]C[5,5]C[5]C)	109.2840	0.000	1	108.2450	0.810	3	107.3804	1.061	9	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.5430	0.000	1	108.5430	0.000	1	108.5308	0.129	6	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.9050	0.291	2	108.9050	0.085	2	108.5308	0.129	6	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.5030	0.000	1	108.5030	0.000	1	108.5308	0.129	6	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|Br<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.1645	0.112	2	108.1645	0.013	2	108.5308	0.129	6	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	106.9170	0.000	1	106.9170	0.000	1	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.7357	0.280	4	107.7357	0.079	4	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.7510	0.000	1	107.7510	0.000	1	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.6400	0.000	1	107.6400	0.000	1	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	111.0750	0.000	1	111.0750	0.000	1	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.3300	0.000	1	108.3300	0.000	1	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.2995	0.231	2	108.2995	0.053	2	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.7770	0.000	1	107.9557	1.522	3	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.5530	0.000	1	107.9557	1.522	3	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	106.5370	0.000	1	107.9557	1.522	3	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.5890	0.000	1	108.0905	0.503	2	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.5920	0.000	1	108.0905	0.503	2	108.0814	1.009	16	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	107.2105	0.910	2	107.2105	0.828	2	107.2105	0.828	2	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(COO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){2|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8515	0.112	2	106.8515	0.013	2	106.8515	0.013	2	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:3:	4:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	107.2900	1.605	82	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	3:4:4:4:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.3095	0.360	2	108.3095	0.130	2	108.3095	0.130	2	108.3095	0.130	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.3010	0.000	1	107.2955	0.000	2	107.2955	0.000	2	107.2955	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.2900	0.000	1	107.2955	0.000	2	107.2955	0.000	2	107.2955	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(COO)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,2|O<2>}	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.8268	0.346	4	108.8268	0.119	4	108.8268	0.119	4	108.5850	0.382	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	108.5850	0.382	5	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.6552	0.147	5	107.6552	0.022	5	107.7347	0.055	6	107.7347	0.055	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:2:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.1320	0.000	1	108.1320	0.000	1	107.7347	0.055	6	107.7347	0.055	6	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5]C[5,5]2C)	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	107.4985	1.001	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	107.4985	1.001	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:2:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[5]C[5,5]2C[6a])	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	107.0410	0.015	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H){2|C<3>,2|O<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){4|H<1>}	H(C[5]C[5,5]C[5]C)	107.1280	0.000	1	107.1280	0.000	1	107.1280	0.000	1	107.0410	0.015	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	H(C[5]C[5,5]2C[6a])	102.7115	0.043	2	102.7115	0.002	2	103.5053	0.841	4	103.5053	0.841	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S){5|C<3>}	H(C[5]C[5,5]2C[6a])	104.2990	0.000	2	104.2990	0.000	2	103.5053	0.841	4	103.5053	0.841	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	107.9090	0.392	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.2660	0.000	1	107.2660	0.000	1	107.6055	0.231	2	107.9090	0.392	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.9450	0.000	1	107.9450	0.000	1	107.6055	0.231	2	107.9090	0.392	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.7820	0.278	3	107.6848	0.195	5	107.5977	0.201	6	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.5390	0.744	2	107.6848	0.195	5	107.5977	0.201	6	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.1620	0.000	1	107.1620	0.000	1	107.5977	0.201	6	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]2C)	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	107.2230	0.000	1	106.8096	0.070	5	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.7370	0.165	3	106.8096	0.070	5	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.6140	0.000	1	106.8096	0.070	5	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	107.2780	0.000	1	106.7511	0.133	8	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.7680	0.000	1	106.7511	0.133	8	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.6338	0.381	5	106.7511	0.133	8	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.7940	0.000	1	106.7511	0.133	8	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.9220	0.000	1	106.9220	0.000	1	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.7680	0.000	2	106.7680	0.000	2	106.7822	0.083	16	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){3|H<1>,4|C<4>}	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	103.8350	0.000	1	103.8350	0.000	1	103.8350	0.000	1	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	107.6005	0.047	2	107.6005	0.002	2	107.6320	0.004	3	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	107.6950	0.000	1	107.6950	0.000	1	107.6320	0.004	3	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.0910	0.321	2	106.7577	0.385	3	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.0910	0.000	1	106.7577	0.385	3	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1268	0.304	6	107.0473	0.217	11	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.5670	0.000	1	107.0473	0.217	11	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	108.0260	0.000	1	107.0473	0.217	11	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.9570	0.000	1	107.0473	0.217	11	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.6045	0.282	2	107.0473	0.217	11	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.2900	0.000	1	105.1927	1.057	3	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	104.6440	0.554	2	105.1927	1.057	3	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.2040	0.000	1	106.2040	0.000	1	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.5330	0.000	1	106.5330	0.000	1	106.6373	0.745	19	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	106.9088	0.865	47	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	107.4377	1.177	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H){1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]C)	107.0720	0.000	1	107.0720	0.000	1	107.0720	0.000	1	107.4377	1.177	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]N)	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	107.4377	1.177	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]2C)	106.0600	0.000	1	106.0600	0.000	1	108.2350	1.221	6	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C)	108.8000	0.000	1	108.8667	0.005	3	108.2350	1.221	6	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	108.9000	0.059	2	108.8667	0.005	3	108.2350	1.221	6	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]2C)	108.6300	0.000	1	108.6300	0.000	1	108.2350	1.221	6	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]2C)	108.1200	0.000	1	108.1200	0.000	1	108.2350	1.221	6	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	H(C[5]C[5,5]2C)	105.9820	0.000	1	105.9820	0.000	1	105.9820	0.000	1	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	H(C[5]C[5,5]2C[6a])	106.6180	0.000	1	106.6180	0.000	1	106.4665	0.046	2	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	106.3150	0.000	1	106.3150	0.000	1	106.4665	0.046	2	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C)	106.1830	0.000	1	106.1830	0.000	1	106.1830	0.000	1	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]C)	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.5550	0.000	1	108.5550	0.000	1	107.5473	0.650	15	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	108.1680	0.000	1	108.2485	0.013	2	107.5473	0.650	15	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]C)	108.3290	0.000	1	108.2485	0.013	2	107.5473	0.650	15	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.3913	0.695	6	107.2479	0.546	7	107.5473	0.650	15	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	106.3870	0.000	1	107.2479	0.546	7	107.5473	0.650	15	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.3523	1.182	3	107.4844	0.789	5	107.5473	0.650	15	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.6825	0.483	2	107.4844	0.789	5	107.5473	0.650	15	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	108.3500	0.000	2	108.3500	0.000	2	108.3500	0.000	2	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.9210	0.144	2	105.9408	0.076	9	105.9408	0.076	9	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.9464	0.312	7	105.9408	0.076	9	105.9408	0.076	9	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<2>,1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.6670	0.000	1	104.8845	0.095	2	104.8845	0.095	2	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.1020	0.000	1	104.8845	0.095	2	104.8845	0.095	2	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.8195	0.344	2	104.8195	0.119	2	104.8195	0.119	2	106.9149	1.612	41	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[3]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[3]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[3]N[5])	110.9580	0.000	1	110.9580	0.000	1	110.9580	0.000	1	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]C)	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]N)	108.7600	0.000	1	108.7600	0.000	1	109.4017	1.637	3	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]N)	108.5700	0.000	1	108.5700	0.000	1	109.4017	1.637	3	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]N)	110.8750	0.000	1	110.8750	0.000	1	109.4017	1.637	3	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]N[5])	109.2227	0.337	3	109.2227	0.113	3	110.3467	0.706	11	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]N[5])	110.7682	0.481	8	110.7682	0.232	8	110.3467	0.706	11	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H){1|O<2>,1|O<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	109.2515	0.538	2	109.2515	0.290	2	110.0898	1.276	5	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.2905	0.042	2	111.2905	0.002	2	110.0898	1.276	5	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H){1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]O)	109.3650	0.000	1	109.3650	0.000	1	110.0898	1.276	5	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:P-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]P)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<3>,5|H<1>}	H(C[5]C[5,5]C[5]P)	109.3770	0.168	4	109.3770	0.028	4	109.3770	0.028	4	110.0498	0.853	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]2C)	108.7860	0.000	1	108.7860	0.000	1	108.4170	0.272	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]2C)	108.0480	0.000	1	108.0480	0.000	1	108.4170	0.272	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){2|C<3>,2|N<2>,4|H<1>}	H(C[5]C[5,5]2C[5a])	106.2025	0.515	2	106.2025	0.266	2	106.2025	0.266	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H){3|C<4>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]2C[6a])	107.8410	0.000	1	107.8410	0.000	1	107.2635	0.667	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	106.6860	0.000	1	106.6860	0.000	1	107.2635	0.667	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.8860	0.000	1	106.6195	0.142	2	106.6195	0.142	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.3530	0.000	1	106.6195	0.142	2	106.6195	0.142	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5,6]C)	109.6780	0.000	1	109.4090	0.145	2	109.4090	0.145	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5,6]C)	109.1400	0.000	1	109.4090	0.145	2	109.4090	0.145	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.6000	0.000	1	107.4630	0.038	2	107.4630	0.038	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.3260	0.000	1	107.4630	0.038	2	107.4630	0.038	2	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	109.7750	0.000	1	109.7750	0.000	1	109.0170	0.437	3	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.7160	0.000	1	108.7160	0.000	1	109.0170	0.437	3	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.5600	0.000	1	108.5600	0.000	1	109.0170	0.437	3	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.4435	0.504	2	107.4435	0.254	2	107.7390	0.516	4	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.7220	0.000	1	108.7220	0.000	1	107.7390	0.516	4	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.3470	0.000	1	107.3470	0.000	1	107.7390	0.516	4	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7570	0.000	1	107.7570	0.000	1	107.6210	0.330	3	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){2|C<2>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9910	0.000	1	106.9910	0.000	1	107.6210	0.330	3	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|S<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1150	0.000	1	108.1150	0.000	1	107.6210	0.330	3	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]N[5])	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	107.8826	1.312	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[4]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5])	H(C[5]C[5,5]C[4]N[5])	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[4]N[5])	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a])	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C)	106.2210	0.000	1	106.2210	0.000	1	106.2210	0.000	1	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5])	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2C[5a])	106.1720	0.528	2	106.1720	0.278	2	106.1720	0.278	2	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(N[5]C[5])	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(N[5]C[5]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5])	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.7420	0.000	2	106.7420	0.000	2	105.5757	1.875	4	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	104.1070	0.000	1	104.4095	0.183	2	105.5757	1.875	4	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	104.7120	0.000	1	104.4095	0.183	2	105.5757	1.875	4	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.6400	0.000	1	108.6400	0.000	1	107.7053	0.660	3	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.1700	0.000	1	107.2380	0.009	2	107.7053	0.660	3	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.3060	0.000	1	107.2380	0.009	2	107.7053	0.660	3	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]C)	107.3050	0.000	1	107.3050	0.000	1	107.5985	0.172	2	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H)	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.8920	0.000	1	107.8920	0.000	1	107.5985	0.172	2	106.7904	1.789	14	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){3|C<3>,3|H<1>}	H(C[5]C[5,5]2C)	105.3980	0.000	1	105.3980	0.000	1	105.3980	0.000	1	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	107.8480	0.000	1	107.8480	0.000	1	107.2053	0.394	3	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,2|C<4>,7|C<3>}	H(C[5]C[5,5]2C[6a])	106.5930	0.000	1	106.5930	0.000	1	107.2053	0.394	3	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	H(C[5]C[5,5]2C[6a])	107.1750	0.000	1	107.1750	0.000	1	107.2053	0.394	3	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.8170	0.000	1	106.8170	0.000	1	106.8170	0.000	1	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	104.2630	0.107	2	104.2630	0.012	2	104.2635	0.005	4	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H){2|C<4>,2|N<2>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	104.3080	0.000	1	104.3080	0.000	1	104.2635	0.005	4	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H){2|C<4>,2|N<2>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,8|C<3>}	H(C[5]C[5,5]2C[6a])	104.2200	0.000	1	104.2200	0.000	1	104.2635	0.005	4	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|O<2>,8|C<3>}	H(C[5]C[5,5]2C[6a])	106.0380	0.000	1	106.0380	0.000	1	106.0380	0.000	1	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0800	0.105	2	106.0800	0.011	2	106.0800	0.011	2	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<2>,1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0830	0.000	1	106.0830	0.000	1	107.2088	0.713	5	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4903	0.650	4	107.4903	0.423	4	107.2088	0.713	5	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:C[5,5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9860	0.000	1	106.9860	0.000	1	106.7250	0.194	3	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5945	0.535	2	106.5945	0.287	2	106.7250	0.194	3	106.3189	1.511	21	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|N<2>,2|O<1>,3|C<3>}	H(C[5]C[5,5]2C[6a])	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.8860	0.000	1	107.8860	0.000	1	108.9550	0.442	8	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.7160	0.000	1	108.7160	0.000	1	108.9550	0.442	8	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.8960	0.410	4	108.8960	0.168	4	108.9550	0.442	8	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.7270	0.430	2	109.7270	0.185	2	108.9550	0.442	8	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3920	0.000	1	108.3920	0.000	1	107.4690	1.168	3	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7350	0.000	1	107.0075	1.059	2	107.4690	1.168	3	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.2800	0.000	1	107.0075	1.059	2	107.4690	1.168	3	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.0960	0.259	2	108.0960	0.067	2	108.0960	0.067	2	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HN)(C[5]N[5]HH)(H){2|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]N)	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HN)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]N)	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C[6])	106.1700	0.000	2	106.1700	0.000	2	106.1700	0.000	2	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C[6])	105.8930	0.373	4	105.8930	0.139	4	105.8930	0.139	4	107.7351	1.690	25	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	107.7675	2.067	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){8|H<1>}	H(C[5]C[5,5]C[5]C)	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	107.7675	2.067	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[3,5]C[5,5]C[6a])	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[3,5]C[5,5]C[6a])	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	H(C[5]C[5,5]2C[6a])	107.1920	0.000	1	107.1920	0.000	1	106.6035	0.377	12	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	107.2730	0.000	1	106.8577	0.098	4	106.6035	0.377	12	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.7193	0.178	3	106.8577	0.098	4	106.6035	0.377	12	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]2C[6a])	106.8140	0.000	1	106.8140	0.000	1	106.6035	0.377	12	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.7360	0.000	1	106.5854	0.056	5	106.6035	0.377	12	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	106.5478	0.255	4	106.5854	0.056	5	106.6035	0.377	12	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	104.8780	0.000	1	104.8780	0.000	1	106.6035	0.377	12	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	105.0490	0.000	1	105.0490	0.000	1	105.0490	0.000	1	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,5|C<3>,8|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.6630	0.249	2	106.6630	0.062	2	106.6630	0.062	2	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(C[5]C[5,5]C[5]C)	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCO)(H)	C[5,5](C[5]C[5]ClH)(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCO)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5]C[5]ClH)(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]H){1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2050	0.000	1	107.2050	0.000	1	106.8390	0.268	2	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4730	0.000	1	106.4730	0.000	1	106.8390	0.268	2	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NHH)(H)	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NHH)(H){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]N)	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.5610	0.000	1	106.5610	0.000	1	106.5610	0.000	1	106.7010	1.208	23	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7850	0.000	1	105.7850	0.000	1	105.7850	0.000	1	109.0795	3.195	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NCH)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NCH)(H){1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO){8|H<1>}	H(C[5]C[5,5]C[5]N)	110.2334	0.307	5	110.2334	0.094	5	109.5501	1.660	7	109.0795	3.195	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NNiC)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NNiC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)2{8|H<1>}	H(C[5]C[5,5]C[5]N)	107.8420	1.188	2	107.8420	1.411	2	109.5501	1.660	7	109.0795	3.195	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	108.0065	0.303	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]2)	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	108.0065	0.303	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:3:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H){1|O<1>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(C[5]C[5,5]C[5]C)	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:3:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:3:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	107.8925	0.261	2	107.8925	0.068	2	107.8925	0.068	2	107.8925	0.068	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:2:3:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]C)	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.1125	0.005	2	107.1125	0.000	2	107.1125	0.000	2	107.1125	0.000	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.5115	0.035	2	107.5115	0.001	2	107.4437	0.014	4	107.4437	0.014	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.3760	0.151	2	107.3760	0.023	2	107.4437	0.014	4	107.4437	0.014	4	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H){1|H<1>,1|S<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|Br<1>,1|H<1>,5|C<3>}	H(C[5]C[5,5]2C)	105.1730	0.000	1	105.1730	0.000	1	105.1730	0.000	1	105.7653	0.963	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:3:3:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H){1|H<1>,1|S<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,4|C<3>}	H(C[5]C[5,5]2C)	105.2250	0.000	1	105.2250	0.000	1	105.2250	0.000	1	105.7653	0.963	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]2)	106.8980	0.000	1	106.8980	0.000	1	106.8980	0.000	1	105.7653	0.963	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[3,5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H)	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5,5]C)	108.9160	0.184	2	108.9160	0.034	2	108.9160	0.034	2	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[4]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	H(C[5]C[5,5]C[4]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[4]C[5])	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.1090	0.000	1	108.1090	0.000	1	108.4847	4.052	3	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	106.6860	0.000	1	106.6860	0.000	1	108.4847	4.052	3	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	110.6590	0.000	1	110.6590	0.000	1	108.4847	4.052	3	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.8500	0.000	1	107.8500	0.000	1	109.0518	1.140	9	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|Cl<1>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.8420	0.000	2	107.8420	0.000	2	109.0518	1.140	9	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.5780	0.000	1	109.5780	0.000	1	109.0518	1.140	9	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,6|H<1>}	H(C[5]C[5,5]C[5]C)	110.4630	0.000	1	110.4630	0.000	1	109.0518	1.140	9	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]C)	110.1270	0.000	1	109.4727	0.590	4	109.0518	1.140	9	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.8215	0.271	2	109.4727	0.590	4	109.0518	1.140	9	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	110.1210	0.000	1	109.4727	0.590	4	109.0518	1.140	9	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]2)	108.8170	0.000	1	108.8170	0.000	1	108.6865	0.034	2	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]2)	108.5560	0.000	1	108.5560	0.000	1	108.6865	0.034	2	108.8345	1.078	19	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C)	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	105.4690	0.000	1	105.4505	0.001	2	106.5681	1.285	7	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	105.4320	0.000	1	105.4505	0.001	2	106.5681	1.285	7	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.0690	0.000	1	108.0690	0.000	1	106.5681	1.285	7	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.4095	0.115	2	107.4095	0.013	2	106.5681	1.285	7	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]C)	105.3600	0.000	1	105.3600	0.000	1	106.5681	1.285	7	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	106.8280	0.000	1	106.8280	0.000	1	106.5681	1.285	7	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H)	C[5,5](N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	106.8058	1.290	9	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:2:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H)	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H){1|Fe<10>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	H(C[5]C[5,5]C[5]2)	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,5,6]O)(C[5]C[5]CH)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]C)	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.3347	1.002	4	108.3347	1.005	4	108.3347	1.005	4	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]C)	105.8722	0.318	6	105.8722	0.101	6	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H){1|C<3>,1|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|F<1>,3|H<1>}	H(C[5]C[5,5]C[5]C)	110.3860	0.996	2	110.3860	0.991	2	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H){1|C<3>,1|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.3390	0.325	2	107.3390	0.106	2	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.2850	0.000	1	108.2850	0.000	1	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.4020	0.000	1	108.4020	0.000	1	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H)	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]CH)(O[5]C[4,5])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.1630	0.000	1	107.1630	0.000	1	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	109.2020	0.000	1	109.2020	0.000	1	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.2590	0.492	2	108.2590	0.242	2	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.2310	0.000	1	108.2310	0.000	1	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	109.4540	0.000	1	109.4540	0.000	1	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]C)	109.2170	0.000	1	109.2170	0.000	1	107.7450	2.567	19	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]N)	109.4090	0.000	1	109.4090	0.000	1	110.0010	0.297	3	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]N)	110.4810	0.000	1	110.4810	0.000	1	110.0010	0.297	3	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]N)	110.1130	0.000	1	110.1130	0.000	1	110.0010	0.297	3	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:P-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]P)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<4>,5|H<1>}	H(C[5]C[5,5]C[5]P)	109.8550	0.082	2	109.8550	0.007	2	109.8550	0.007	2	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5]C[5,5]N[5,5]C)	108.2880	0.000	1	108.2880	0.000	1	107.6180	0.898	2	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]N[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5]C[5,5]N[5,5]C)	106.9480	0.000	1	106.9480	0.000	1	107.6180	0.898	2	108.1814	2.435	30	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2C)	107.2190	0.000	1	107.2190	0.000	1	107.6673	0.168	3	107.4661	0.855	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){4|C<4>,4|H<1>}	H(C[5]C[5,5]2C)	107.8915	0.185	2	107.8915	0.034	2	107.6673	0.168	3	107.4661	0.855	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H){3|C<4>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.8700	0.000	1	107.8700	0.000	1	107.3454	1.364	5	107.4661	0.855	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5]C[5]CH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	C[5,5](C[5]C[5]CH)2(O[5]C[5])2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	106.0740	0.000	1	106.0740	0.000	1	107.3454	1.364	5	107.4661	0.855	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H)	C[5,5](C[5]C[5]CH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H){3|C<4>,3|H<1>}	C[5,5](C[5]C[5]CH)2(O[5]C[5])2{8|H<1>}	H(C[5]C[5,5]C[5]C)	108.3355	0.288	2	108.3355	0.083	2	107.3454	1.364	5	107.4661	0.855	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H)	C[5,5](C[5]C[5]CH)2(O[5]C[5])2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H){1|H<1>,5|C<4>}	C[5,5](C[5]C[5]CH)2(O[5]C[5])2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	106.1120	0.000	1	106.1120	0.000	1	107.3454	1.364	5	107.4661	0.855	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3){2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]C)	105.6230	0.000	1	105.6230	0.000	1	106.5453	0.240	15	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.9310	0.479	2	106.9310	0.230	2	106.5453	0.240	15	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.9454	0.134	5	106.9454	0.018	5	106.5453	0.240	15	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.2157	0.402	3	106.2157	0.162	3	106.5453	0.240	15	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.4110	0.000	1	106.4110	0.000	1	106.5453	0.240	15	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.3920	0.474	2	106.3920	0.224	2	106.5453	0.240	15	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.1260	0.000	1	106.1260	0.000	1	106.5453	0.240	15	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]2)	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	106.4754	0.303	16	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H)	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5,5]C)	108.2260	0.000	1	108.2260	0.000	1	109.4730	3.110	2	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H)	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5,5]C)	110.7200	0.000	1	110.7200	0.000	1	109.4730	3.110	2	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[5]C[3,5]C[5,5]C)	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]2C)	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]C)	104.5390	0.000	1	104.5390	0.000	1	107.6980	4.855	4	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	109.6670	0.000	1	109.6670	0.000	1	107.6980	4.855	4	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.2930	0.030	2	108.2930	0.001	2	107.6980	4.855	4	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	105.4380	0.000	1	105.4380	0.000	1	106.2915	1.457	2	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.1450	0.000	1	107.1450	0.000	1	106.2915	1.457	2	108.1988	3.699	11	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH){1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	108.0849	0.177	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC){2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	108.0849	0.177	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5]){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]C)	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	108.0849	0.177	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]C)	107.7790	0.000	1	107.7790	0.000	1	108.1288	0.290	5	108.0849	0.177	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]C)	108.0590	0.000	1	107.7615	0.177	2	108.1288	0.290	5	108.0849	0.177	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]C)	107.4640	0.000	1	107.7615	0.177	2	108.1288	0.290	5	108.0849	0.177	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	108.6710	0.037	2	108.6710	0.001	2	108.1288	0.290	5	108.0849	0.177	8	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H)	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.3630	0.000	1	107.3630	0.000	1	107.5945	0.107	2	107.2857	0.340	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){6|H<1>}	H(C[5]C[5,5]C[5]C)	107.8260	0.000	1	107.8260	0.000	1	107.5945	0.107	2	107.2857	0.340	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	107.2857	0.340	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	106.3545	0.615	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]2)	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	106.3545	0.615	2	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H)	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[3x5]O[5]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]2C)	107.9215	0.260	2	107.9215	0.067	2	107.9215	0.067	2	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.0660	0.370	3	107.8738	0.239	4	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){4|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.2970	0.000	1	107.8738	0.239	4	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.8360	0.000	1	107.6635	0.120	26	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.6910	0.000	1	107.6635	0.120	26	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.6770	0.000	1	107.6635	0.120	26	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|H<1>,1|O<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	106.8205	0.122	2	107.6635	0.120	26	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){3|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.7336	0.268	21	107.6635	0.120	26	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.2990	0.000	1	108.2990	0.000	1	107.7111	0.141	31	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]C)	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.8810	0.000	1	107.8810	0.000	1	108.0943	0.019	6	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.2450	0.000	2	108.1370	0.011	5	108.0943	0.019	6	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.0900	0.000	2	108.1370	0.011	5	108.0943	0.019	6	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.0150	0.000	1	108.1370	0.011	5	108.0943	0.019	6	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]C)	108.8540	0.000	1	108.8540	0.000	1	108.3595	0.489	2	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,8|C<3>}	H(C[5]C[5,5]C[5]C)	107.8650	0.000	1	107.8650	0.000	1	108.3595	0.489	2	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.4240	0.000	1	107.4240	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	105.6980	0.000	1	105.6980	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	106.4010	0.000	1	106.4010	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.3810	0.000	1	108.3810	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]C)	109.5930	0.000	1	109.5930	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]C)	112.0620	0.000	1	112.0620	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.7280	0.000	1	107.7885	0.007	2	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.8490	0.000	1	107.7885	0.007	2	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]C)	110.4740	0.000	1	110.4740	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]C)	106.1994	1.106	5	106.1994	1.224	5	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]C)	107.3030	0.000	1	107.3030	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.8750	0.000	1	106.8750	0.000	1	107.5491	3.546	16	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.8630	0.000	1	108.8085	0.006	2	108.8085	0.006	2	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(S[5]C[5]OO)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.7540	0.000	1	108.8085	0.006	2	108.8085	0.006	2	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]C)	109.7500	0.000	1	109.7500	0.000	1	108.3770	1.444	3	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H){1|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|C<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.5180	0.000	1	107.5180	0.000	1	108.3770	1.444	3	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H){1|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.8630	0.000	1	107.8630	0.000	1	108.3770	1.444	3	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]2)	109.7435	1.869	2	109.7435	3.493	2	109.7435	3.493	2	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]Si)	105.5290	2.289	4	105.5290	5.238	4	105.5290	5.238	4	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5,5]C)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H){2|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5,6,6]C[5,5]C)	107.7190	0.455	2	107.7190	0.207	2	107.7190	0.207	2	107.7290	1.625	71	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H)	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5])	H(C[5]C[5,5]C[3]C[5])	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H){2|O<2>,4|C<4>,6|H<1>}	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5]){4|C<4>,5|H<1>}	H(C[5]C[5,5]C[3]C[5])	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH)	H(C[5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]2C)	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){3|H<1>,4|C<4>}	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	H(C[5]C[5,5]C[5]C)	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]C)	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	106.0690	1.806	2	106.0690	3.261	2	107.0093	1.906	6	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,6|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]C)	106.8210	0.000	1	106.8210	0.000	1	107.0093	1.906	6	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]C)	106.2950	0.000	1	106.2950	0.000	1	107.0093	1.906	6	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	108.4010	0.280	2	108.4010	0.078	2	107.0093	1.906	6	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5])	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C[6])	107.1580	0.000	1	107.1580	0.000	1	105.0970	3.313	3	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]C[6])	104.0665	0.504	2	104.0665	0.254	2	105.0970	3.313	3	107.0062	4.057	13	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]C)	106.0550	0.000	1	106.0550	0.000	1	106.0550	0.000	1	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(C[5]O[5]O){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.1910	0.000	1	106.1910	0.000	1	106.8093	0.423	3	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(C[5]O[5]O){1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.4870	0.000	1	107.4870	0.000	1	106.8093	0.423	3	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H){1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.7500	0.000	1	106.7500	0.000	1	106.8093	0.423	3	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.1830	0.000	1	106.1830	0.000	1	106.1830	0.000	1	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5]C[5]ClH)(C[5]C[5]2H)(C[5]N[5]HH)(N[5]C[5]H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	C[5,5](C[5]C[5]ClH)(C[5]C[5]2H)(C[5]N[5]HH)(N[5]C[5]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]2)	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C[6])	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H)	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O){6|H<1>}	H(C[5]C[5,5]C[5]Si)	107.7210	0.000	1	107.7210	0.000	1	107.9274	0.027	5	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H)	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O){6|H<1>}	H(C[5]C[5,5]C[5]Si)	107.9790	0.133	4	107.9790	0.018	4	107.9274	0.027	5	107.2219	0.589	12	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H)	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]C)	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	107.4840	0.417	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.7610	0.000	1	106.7610	0.000	1	107.3825	0.773	2	107.4840	0.417	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]CW)(CH3)(H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]CH)(C[5]C[5]CW)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]CW)(CH3)(H){1|W<6>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]CH)(C[5]C[5]CW)(CH3){1|W<6>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.0040	0.000	1	108.0040	0.000	1	107.3825	0.773	2	107.4840	0.417	3	110.1569	2.935	7556	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.4410	0.000	1	110.4410	0.000	1	110.3135	0.042	4	111.0352	2.533	16	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.2710	0.228	3	110.2710	0.052	3	110.3135	0.042	4	111.0352	2.533	16	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	112.7105	2.621	4	112.7105	6.868	4	112.7105	6.868	4	111.0352	2.533	16	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6095	0.016	2	110.6095	0.000	2	110.6050	0.000	4	111.0352	2.533	16	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6005	0.019	2	110.6005	0.000	2	110.6050	0.000	4	111.0352	2.533	16	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	111.2390	0.025	2	111.2390	0.001	2	111.2390	0.001	2	111.0352	2.533	16	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6,6]-4:S[5]-2:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]S[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6,6]S[5]H)	109.7845	0.016	2	109.7845	0.000	2	109.7845	0.000	2	111.0352	2.533	16	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:O[5,6,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H){1|C<4>,1|F<1>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	112.5445	2.801	2	112.5445	7.845	2	112.5445	7.845	2	112.5445	7.845	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:3:4:2:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,6,6]O[5]H)	110.9390	0.643	2	110.9390	0.414	2	110.9390	0.414	2	110.9390	0.414	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[3,6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.6057	0.064	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.2580	0.017	2	110.2580	0.000	2	110.2580	0.000	2	110.6057	0.064	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.7725	0.042	2	110.7725	0.002	2	110.7110	0.007	4	110.6057	0.064	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6495	0.052	2	110.6495	0.003	2	110.7110	0.007	4	110.6057	0.064	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	110.7409	0.096	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	110.7409	0.096	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6460	0.000	1	110.6460	0.000	1	110.9943	0.091	3	110.7409	0.096	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[5,6,6]O[5]H)	111.1685	0.009	2	111.1685	0.000	2	110.9943	0.091	3	110.7409	0.096	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6115	0.011	2	110.6115	0.000	2	110.6115	0.000	2	110.7409	0.096	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6])	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	112.1412	2.562	4	112.1412	6.565	4	112.1412	6.565	4	112.1412	6.565	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]O[5]HH)(N[5]C[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]O[5]HH)(N[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.2970	0.000	1	110.2970	0.000	1	110.2970	0.000	1	110.4274	0.055	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.2978	0.010	4	110.2978	0.000	4	110.2978	0.000	4	110.4274	0.055	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.8055	0.018	2	110.8055	0.000	2	110.8055	0.000	2	110.4274	0.055	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.4274	0.055	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]O)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2{1|C<3>,2|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.7690	0.030	4	110.7455	0.002	6	110.7455	0.002	6	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6985	0.005	2	110.7455	0.002	6	110.7455	0.002	6	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	111.1330	0.055	2	111.1330	0.003	2	111.1330	0.003	2	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH){2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.4320	0.048	2	110.4320	0.002	2	110.4320	0.002	2	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.1405	0.031	4	110.1405	0.001	4	110.1405	0.001	4	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.3521	0.152	18	110.3521	0.023	18	110.4033	0.046	20	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2{1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.8645	0.062	2	110.8645	0.004	2	110.4033	0.046	20	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.3547	0.070	3	110.3547	0.005	3	110.1849	0.082	13	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.1352	0.360	4	110.1340	0.095	10	110.1849	0.082	13	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.3250	0.540	2	110.1340	0.095	10	110.1849	0.082	13	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.0373	0.147	4	110.1340	0.095	10	110.1849	0.082	13	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.5230	0.000	1	110.5230	0.000	1	110.7416	0.056	7	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.6598	0.193	4	110.6598	0.037	4	110.7416	0.056	7	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	111.0145	0.028	2	111.0145	0.001	2	110.7416	0.056	7	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.1570	0.034	2	110.1570	0.001	2	110.5810	0.240	4	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	111.0050	0.010	2	111.0050	0.000	2	110.5810	0.240	4	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6,6]O[5]H)	110.5250	0.020	2	110.5250	0.000	2	110.5418	0.017	16	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.6066	0.094	10	110.5441	0.019	14	110.5418	0.017	16	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.3880	0.105	4	110.5441	0.019	14	110.5418	0.017	16	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	110.8350	0.054	4	110.8350	0.003	4	110.8350	0.003	4	110.4865	0.093	79	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:2:1:	3:4:4:4:	4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	H(C[5]C[5,6,6]O[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]O)	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:2:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H)	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]O)	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]O)	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	109.1100	1.984	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:2:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	H(C[5]C[5,6,6]O[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5,6,6]O[5]O)	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	109.1100	1.984	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:3:1:	4:3:4:4:	4:	C[5,6,6]-4:O[5]-2:C-3:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH)	H(C[5]C[5,6,6]O[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]C)	107.1327	1.114	3	107.1327	1.241	3	107.1327	1.241	3	107.1327	1.241	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H)	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,6,6]O[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6,6]O[5]C)	109.5750	0.191	3	109.5750	0.036	3	109.5750	0.036	3	109.5623	0.025	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	H(C[5]C[5,6,6]O[5]C)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	H(C[5]C[5,6,6]O[5]C)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.5623	0.025	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]O[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H){2|C<4>,2|N<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]C)	108.1620	0.267	2	108.1620	0.071	2	108.1620	0.071	2	108.1620	0.071	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	3:2:4:3:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:O[6,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6330	0.025	2	110.6330	0.001	2	110.6330	0.001	2	110.6330	0.001	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8988	0.116	4	110.8827	0.009	6	110.8827	0.009	6	110.8827	0.009	6	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8505	0.032	2	110.8827	0.009	6	110.8827	0.009	6	110.8827	0.009	6	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5]O)(H)2	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7425	0.019	2	110.7425	0.000	2	110.7425	0.000	2	110.7425	0.000	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,4x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H)	H(C[5]C[5,6,6]N[5,6]H)	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]N[5,6]H)	110.0765	1.736	2	110.0765	3.014	2	110.0765	3.014	2	110.0765	3.014	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	111.8102	2.535	4	111.8102	6.427	4	111.8102	6.427	4	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	110.7230	0.037	2	110.7230	0.001	2	110.8510	0.062	4	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	110.9790	0.345	2	110.9790	0.119	2	110.8510	0.062	4	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	110.8250	0.021	2	110.8250	0.000	2	110.8250	0.000	2	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	110.8260	3.422	2	110.8260	11.713	2	110.9128	3.921	4	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	110.9995	0.141	2	110.9995	0.020	2	110.9128	3.921	4	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	H(C[5]C[5,6,6]C[5]Cl)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	H(C[5]C[5,6,6]C[5]Cl)	114.0650	0.000	1	114.0650	0.000	1	111.0457	6.863	3	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	H(C[5]C[5,6,6]C[5]Cl)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]Cl)	109.5360	0.228	2	109.5360	0.052	2	111.0457	6.863	3	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7078	0.052	4	110.7078	0.003	4	111.0970	1.055	9	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.6520	0.000	1	111.4084	1.835	5	111.0970	1.055	9	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.6805	0.052	2	111.4084	1.835	5	111.0970	1.055	9	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5]H)	112.5145	1.805	2	111.4084	1.835	5	111.0970	1.055	9	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.3765	0.030	2	111.3765	0.001	2	111.0588	0.087	16	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8481	0.058	7	110.8481	0.003	7	111.0588	0.087	16	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6,6]C[5]H)	111.0040	0.042	2	110.9193	0.011	4	111.0588	0.087	16	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.8345	0.046	2	110.9193	0.011	4	111.0588	0.087	16	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2{2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.5247	0.086	3	111.5247	0.007	3	111.0588	0.087	16	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.9840	0.014	2	110.9840	0.000	2	110.9840	0.000	2	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7817	0.040	3	110.7817	0.002	3	110.6250	0.093	8	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.2690	0.091	3	110.2690	0.008	3	110.6250	0.093	8	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9240	0.006	2	110.9240	0.000	2	110.6250	0.093	8	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]N[5]H)	110.4760	0.071	2	110.4760	0.005	2	110.4760	0.005	2	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6,6]N[5]H)	110.9800	0.054	3	110.9800	0.003	3	110.7863	0.072	15	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6,6]N[5]H)	111.1082	0.080	4	111.1082	0.006	4	110.7863	0.072	15	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2{1|Ru<11>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6,6]N[5]H)	110.5662	0.084	4	110.5662	0.007	4	110.7863	0.072	15	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5,6,6]N[5]H)	110.5392	0.026	4	110.5392	0.001	4	110.7863	0.072	15	110.9504	0.892	70	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0305	0.009	2	111.0305	0.000	2	111.0305	0.000	2	111.0305	0.000	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	112.4300	1.973	2	112.4300	3.892	2	112.4300	3.892	2	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	111.1445	0.034	4	111.1445	0.001	4	110.7938	0.141	8	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	110.4430	0.010	4	110.4430	0.000	4	110.7938	0.141	8	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	111.2730	0.047	2	111.2730	0.002	2	111.2730	0.002	2	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6390	0.016	2	110.6390	0.000	2	111.0416	3.509	14	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.3186	2.512	8	111.1088	4.112	12	111.0416	3.509	14	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7120	0.006	2	111.1088	4.112	12	111.0416	3.509	14	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6660	0.013	2	111.1088	4.112	12	111.0416	3.509	14	111.0755	2.117	27	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	111.3310	0.018	2	111.3310	0.000	2	111.3310	0.000	2	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:Br-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]Br)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H){5|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]Br)	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.0705	4.611	2	110.0705	21.262	2	110.0705	21.262	2	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6125	0.030	2	110.6125	0.001	2	110.6125	0.001	2	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5080	0.040	2	110.5249	0.008	15	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5884	0.104	5	110.5249	0.008	15	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5247	0.044	6	110.5249	0.008	15	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3835	0.015	2	110.5249	0.008	15	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3665	0.009	2	110.3665	0.000	2	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2{5|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7811	0.083	15	110.7811	0.007	15	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{5|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7247	0.122	7	110.7247	0.015	7	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7295	0.045	2	110.7295	0.002	2	110.6550	0.025	41	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2	C[5,6,6](C[6,6]C[6]O[6]C)2(C[5]C[5]HH)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6]O[6]C)2(C[5]C[5]HH)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8887	0.038	3	110.8887	0.001	3	110.8887	0.001	3	110.6639	0.483	51	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5]O)	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	109.4377	0.374	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	H(C[5]C[5,6,6]N[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6,6]N[5]O)	108.6740	0.000	1	108.6740	0.000	1	109.5123	0.527	3	109.4377	0.374	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	H(C[5]C[5,6,6]N[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]N[5]O)	109.9315	0.008	2	109.9315	0.000	2	109.5123	0.527	3	109.4377	0.374	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5,6a]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5,6a]O)	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.7061	0.599	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]O)	108.8920	0.000	1	108.8920	0.000	1	108.7260	0.695	7	108.7061	0.599	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]O)	109.6750	0.000	1	109.6750	0.000	1	108.7260	0.695	7	108.7061	0.599	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]O)	109.0025	0.037	2	109.0025	0.001	2	108.7260	0.695	7	108.7061	0.599	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]O)	108.7685	0.097	2	108.1700	1.079	3	108.7260	0.695	7	108.7061	0.599	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]O)	106.9730	0.000	1	108.1700	1.079	3	108.7260	0.695	7	108.7061	0.599	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]O)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6,6]-4:N[5,5]-3:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H)	H(C[5]C[5,6,6]N[5,5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6,6]N[5,5]C)	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	H(C[5]C[5,6,6]C[6a]S[5])	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6,6]C[6a]S[5])	106.3730	0.264	2	106.3730	0.070	2	106.3730	0.070	2	106.3730	0.070	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[5]-4:N[5,6]-3:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])	H(C[5]C[5,6,6]C[6a]C[5])	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,6|C<3>,7|H<1>}	H(C[5]C[5,6,6]C[6a]C[5])	105.7360	0.000	1	105.7360	0.000	1	105.7360	0.000	1	105.7360	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]C)	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]O[5])(C[5,6,6]N[5,5,6]C[5,6]H)(C[5]C[5]CH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]C)	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	110.0565	3.083	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	H(C[5]C[5,6,6]C[6a]C[5])	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,6,6]C[6a]C[5])	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	110.0565	3.083	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|N<4>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	H(C[5]C[5,6,6]C[5]C)	104.7860	0.294	2	104.7860	0.087	2	104.7860	0.087	2	106.8630	5.782	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]C)	108.9400	0.059	2	108.9400	0.004	2	108.9400	0.004	2	106.8630	5.782	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	2:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0305	1.312	2	110.9973	0.248	8	110.9973	0.248	8	110.9973	0.248	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	2:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9185	0.028	2	110.9973	0.248	8	110.9973	0.248	8	110.9973	0.248	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	2:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0200	0.020	4	110.9973	0.248	8	110.9973	0.248	8	110.9973	0.248	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8010	0.051	2	110.8010	0.003	2	110.8010	0.003	2	110.8010	0.003	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:2:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6430	0.023	2	110.6430	0.001	2	110.6430	0.001	2	110.6430	0.001	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2{1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8080	0.010	2	110.8080	0.000	2	110.8080	0.000	2	110.9748	0.029	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8898	0.122	6	110.8898	0.015	6	110.9290	0.016	8	110.9748	0.029	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0465	0.008	2	111.0465	0.000	2	110.9290	0.016	8	110.9748	0.029	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.1930	0.000	1	111.1930	0.000	1	111.2083	0.000	3	110.9748	0.029	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]O[5]CH)(H)2	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.2160	0.010	2	111.2160	0.000	2	111.2083	0.000	3	110.9748	0.029	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5]-4:	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	110.9373	0.103	10	110.9373	0.011	10	110.9373	0.011	10	110.9373	0.011	10	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	N[5,3x6]-3:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5,5]H)	110.9010	0.016	2	110.9010	0.000	2	110.9010	0.000	2	110.9010	0.000	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.4548	0.286	5	110.4548	0.082	5	110.4548	0.082	5	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4384	0.032	5	110.4384	0.001	5	110.5316	0.026	7	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7645	0.043	2	110.7645	0.002	2	110.5316	0.026	7	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6185	0.022	2	110.6185	0.000	2	110.6185	0.000	2	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,9|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3825	2.483	2	110.6828	1.298	6	110.6884	1.082	7	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7125	0.009	2	110.6828	1.298	6	110.6884	1.082	7	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{4|H<1>,5|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){10|H<1>,1|C<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.9535	0.011	2	110.6828	1.298	6	110.6884	1.082	7	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7220	0.000	1	110.7220	0.000	1	110.6884	1.082	7	110.5739	0.358	21	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.2625	0.025	2	110.7606	0.406	10	110.7606	0.406	10	110.7606	0.406	10	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0825	0.012	2	110.7606	0.406	10	110.7606	0.406	10	110.7606	0.406	10	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4860	0.706	6	110.7606	0.406	10	110.7606	0.406	10	110.7606	0.406	10	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9255	0.057	2	110.9255	0.003	2	110.9255	0.003	2	110.7305	2.005	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5355	2.420	2	110.5355	5.858	2	110.5355	5.858	2	110.7305	2.005	4	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8865	0.032	2	110.9747	0.010	18	110.9747	0.010	18	110.9368	0.023	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9857	0.100	16	110.9747	0.010	18	110.9747	0.010	18	110.9368	0.023	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C){2|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5955	0.008	2	110.5955	0.000	2	110.5955	0.000	2	110.9368	0.023	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5,5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5,5]H)	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	110.3599	1.046	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5198	0.033	4	110.5198	0.001	4	110.5198	0.001	4	110.3599	1.046	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6110	0.013	2	110.6110	0.000	2	110.6110	0.000	2	110.3599	1.046	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH){2|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6715	0.033	2	110.6715	0.001	2	110.1117	2.365	6	110.3599	1.046	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0760	0.013	2	111.0760	0.000	2	110.1117	2.365	6	110.3599	1.046	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	108.5875	2.166	2	108.5875	4.691	2	110.1117	2.365	6	110.3599	1.046	13	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0825	0.012	2	111.0763	0.000	3	111.0763	0.000	3	110.8787	0.086	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0640	0.000	1	111.0763	0.000	3	111.0763	0.000	3	110.8787	0.086	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	H(C[5]C[5,6,6]C[5]H)	110.4515	0.008	2	110.4515	0.000	2	110.4515	0.000	2	110.8787	0.086	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6]){2|O<2>,7|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0095	0.036	2	111.0095	0.001	2	111.0095	0.001	2	110.8787	0.086	7	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.2350	0.020	2	111.2350	0.000	2	111.2350	0.000	2	111.2350	0.000	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	110.8472	0.029	5	110.8472	0.001	5	110.8472	0.001	5	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH){1|H<1>,2|C<3>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.3755	0.036	2	110.3755	0.001	2	110.3755	0.001	2	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8010	0.035	2	110.8010	0.001	2	110.8010	0.001	2	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	H(C[5]C[5,6,6]C[5]H)	109.8230	0.034	2	109.8230	0.001	2	110.0225	0.053	4	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.2220	0.007	2	110.2220	0.000	2	110.0225	0.053	4	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7960	0.064	2	110.7960	0.004	2	110.8937	0.215	4	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9915	0.776	2	110.9915	0.602	2	110.8937	0.215	4	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.2990	0.017	2	111.2990	0.000	2	111.2990	0.000	2	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6455	0.081	2	110.6455	0.007	2	110.6455	0.007	2	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0095	0.059	2	111.0095	0.003	2	111.0095	0.003	2	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	110.6964	0.178	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>,4|O<2>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5,5]H)	110.7815	0.011	2	110.7815	0.000	2	110.7815	0.000	2	110.7815	0.000	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6]){3|C<3>,9|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6690	0.042	2	110.6690	0.002	2	110.6690	0.002	2	110.6690	0.002	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH){4|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	H(C[5]C[5,6,6]C[4,5]H)	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[4,5]H)	110.7460	0.027	2	110.7460	0.001	2	110.7460	0.001	2	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H)	H(C[5]C[5,6,6]C[5,5]F)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6,6]C[5,5]F)	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.6852	0.030	6	110.6852	0.001	6	110.7364	0.006	10	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.8132	0.062	4	110.8132	0.004	4	110.7364	0.006	10	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9910	1.334	2	110.8932	0.606	4	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7955	0.009	2	110.8932	0.606	4	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.3873	1.490	4	110.5588	1.812	5	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.2450	0.000	1	110.5588	1.812	5	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6190	0.007	2	110.6190	0.000	2	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){1|Br<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7840	0.000	1	110.7873	0.034	4	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7883	0.225	3	110.7873	0.034	4	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.5310	0.028	2	110.5715	0.003	4	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.6120	0.054	2	110.5715	0.003	4	110.6863	0.530	19	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[4,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9008	0.225	27	110.9008	0.051	27	110.9164	0.050	29	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.1280	0.004	2	111.1280	0.000	2	110.9164	0.050	29	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	109.2647	3.109	4	109.2647	9.668	4	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6620	0.180	4	110.6620	0.033	4	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3170	0.652	2	110.3170	0.425	2	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.9100	0.013	2	111.9100	0.000	2	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4510	0.023	2	110.4510	0.001	2	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0735	0.045	2	110.8505	0.067	4	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6275	0.011	2	110.8505	0.067	4	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7540	0.024	2	110.7540	0.001	2	110.4986	2.137	20	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2{2|H<1>,5|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<4>,4|O<2>}	H(C[5]C[5,6,6]C[5]H)	110.1735	0.025	2	110.1735	0.001	2	110.1735	0.001	2	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,6]C[5])(C[5,6,6]C[5,6]O[5,6]C)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5175	0.008	2	110.5175	0.000	2	110.5175	0.000	2	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.5344	1.898	8	110.5344	3.604	8	110.3323	2.828	12	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	108.9285	0.945	2	108.9285	0.894	2	110.3323	2.828	12	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9280	0.031	2	110.9280	0.001	2	110.3323	2.828	12	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.1710	0.023	2	111.1100	0.018	15	111.1149	0.016	17	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.1006	0.140	13	111.1100	0.018	15	111.1149	0.016	17	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.1520	0.027	2	111.1520	0.001	2	111.1149	0.016	17	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	108.9725	1.105	2	108.9725	1.221	2	108.9725	1.221	2	110.6840	0.864	119	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.6617	0.025	8	110.7855	0.069	10	110.7855	0.069	10	110.8323	0.051	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	111.2805	0.045	2	110.7855	0.069	10	110.7855	0.069	10	110.8323	0.051	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0560	0.021	4	111.0560	0.000	4	111.0560	0.000	4	110.8323	0.051	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5])	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5]){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7990	0.113	5	110.7990	0.013	5	110.7990	0.013	5	110.8323	0.051	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.8323	0.051	20	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.8305	0.050	2	110.8305	0.003	2	110.8305	0.003	2	110.8273	0.005	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8355	0.036	2	110.8355	0.001	2	110.8355	0.001	2	110.8273	0.005	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7315	0.022	2	110.7315	0.000	2	110.7315	0.000	2	110.8273	0.005	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9115	0.012	2	110.9115	0.000	2	110.9115	0.000	2	110.8273	0.005	8	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.9535	0.039	2	110.9535	0.002	2	110.9535	0.002	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9500	0.157	3	110.9500	0.025	3	110.9500	0.025	3	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.0250	0.027	2	110.0250	0.001	2	110.0250	0.001	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.1930	0.011	2	111.1930	0.000	2	111.1930	0.000	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7350	0.018	2	110.7350	0.000	2	110.7350	0.000	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9520	0.000	1	110.9520	0.000	1	110.7044	0.069	5	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6425	0.258	4	110.6425	0.067	4	110.7044	0.069	5	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,7|H<1>,8|C<4>}	H(C[5]C[5,6,6]C[5]H)	109.6050	0.028	2	109.6050	0.001	2	109.6050	0.001	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.2475	0.028	2	110.2475	0.001	2	110.8211	0.105	10	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|H<1>,3|C<3>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.9385	0.057	2	110.9385	0.003	2	110.8211	0.105	10	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7780	0.024	2	110.9230	0.028	4	110.8211	0.105	10	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0680	0.014	2	110.9230	0.028	4	110.8211	0.105	10	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0735	0.016	2	111.0735	0.000	2	110.8211	0.105	10	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9260	0.028	2	110.9260	0.001	2	110.9260	0.001	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8935	0.098	2	110.8935	0.010	2	110.8935	0.010	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.1475	0.035	2	110.1475	0.001	2	111.2001	1.009	8	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	112.6895	0.381	2	112.6895	0.145	2	111.2001	1.009	8	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.1150	0.027	2	111.1150	0.001	2	111.2001	1.009	8	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8485	0.028	2	110.8485	0.001	2	111.2001	1.009	8	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.2810	0.028	2	110.2810	0.001	2	110.2810	0.001	2	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.1565	0.008	2	110.1565	0.000	2	110.3196	0.035	14	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.2290	0.135	5	110.2290	0.018	5	110.3196	0.035	14	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3895	0.016	2	110.3895	0.000	2	110.3196	0.035	14	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{5|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4420	0.024	2	110.4420	0.001	2	110.3196	0.035	14	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4090	0.000	1	110.4090	0.000	1	110.3196	0.035	14	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.4720	0.437	2	110.4720	0.191	2	110.3196	0.035	14	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,6|H<1>}	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2{2|N<3>,4|H<1>,4|O<1>}	H(C[5]C[5,6,6]C[5]H)	110.6445	0.005	2	110.4840	0.062	6	110.4973	0.091	23	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2{12|H<1>,1|N<3>,1|N<4>}	H(C[5]C[5,6,6]C[5]H)	110.4038	0.278	4	110.4840	0.062	6	110.4973	0.091	23	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|N<3>,6|H<1>}	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2{2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5019	0.325	17	110.5019	0.106	17	110.4973	0.091	23	110.6261	0.255	80	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	3:3:4:4:	4:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[5]C[5]O[5]H)	H(C[5]C[5,6,6]C[5]O[5])	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H){1|Fe<10>,2|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[5]C[5]O[5]H){2|H<1>,4|C<3>,6|C<4>}	H(C[5]C[5,6,6]C[5]O[5])	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH){1|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5,6,6]C[5]O)	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:3:4:3:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]O)	109.5665	1.672	2	109.5665	2.797	2	109.5665	2.797	2	109.5665	2.797	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	H(C[5]C[5,6,6]C[5]O)	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5,6,6]O)	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5,6,6]O)	108.2570	0.000	1	108.2570	0.000	1	108.3835	0.032	2	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H)	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|N<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5,6,6]O)	108.5100	0.000	1	108.5100	0.000	1	108.3835	0.032	2	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	H(C[5]C[5,6,6]2O)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]2O)	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5,6]O)	108.3402	0.590	4	108.2192	0.247	6	108.1621	0.228	7	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5,6]O)	108.0610	0.000	1	108.2192	0.247	6	108.1621	0.228	7	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5,6]O)	107.8930	0.000	1	108.2192	0.247	6	108.1621	0.228	7	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5,6]O)	107.8200	0.000	1	107.8200	0.000	1	108.1621	0.228	7	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]O)	111.0650	0.000	1	111.0650	0.000	1	111.5020	0.382	2	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]O)	111.9390	0.000	1	111.9390	0.000	1	111.5020	0.382	2	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]O)	111.2650	0.000	1	110.4385	1.366	2	109.9660	1.353	3	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]O)	109.6120	0.000	1	110.4385	1.366	2	109.9660	1.353	3	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6,6]C[5]O)	109.0210	0.000	1	109.0210	0.000	1	109.9660	1.353	3	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]O)	110.2075	0.429	2	110.2075	0.184	2	110.2075	0.184	2	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]O)	112.0042	1.794	4	112.0042	3.220	4	112.0042	3.220	4	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]O)	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:S-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	H(C[5]C[5,6,6]C[5]S)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]S)	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.7318	2.945	24	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	H(C[5]C[5,5,6]C[5,6,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5,6,6]O)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	111.0147	6.292	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]O)	112.2120	0.000	1	112.2120	0.000	1	112.4560	0.119	2	111.0147	6.292	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	H(C[5]C[5,6,6]C[5]O)	112.7000	0.000	1	112.7000	0.000	1	112.4560	0.119	2	111.0147	6.292	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O)	H(C[5]C[5,6,6]C[5]O[5])	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,4|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O){1|N<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]O[5])	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[5]C[5,6,6]2O)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	H(C[5]C[5,6,6]2O)	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	109.0107	0.615	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH){1|C<3>,1|C<4>,8|H<1>}	H(C[5]C[5,6,6]C[5]O)	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	109.0107	0.615	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,6,6]C[5]O)	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	109.0107	0.615	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]C)	107.8555	0.260	2	107.8555	0.067	2	107.8555	0.067	2	107.8555	0.067	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	H(C[5]C[5,6,6]C[5]C)	106.2185	0.080	2	106.2185	0.006	2	106.2185	0.006	2	106.2185	0.006	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	2:3:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H)	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6,6]C[5]C)	106.0570	0.000	1	106.0570	0.000	1	106.0570	0.000	1	106.0570	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Cl<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]C)	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5,5]-4:C-4:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5,5]C)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5,5]C)	107.7310	0.458	2	107.7310	0.210	2	107.7310	0.210	2	107.7310	0.210	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]C)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]C)	108.0890	0.649	2	108.0890	0.421	2	108.0890	0.421	2	108.0890	0.421	2	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Br<1>,1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]C)	105.0210	0.000	1	105.0210	0.000	1	105.0210	0.000	1	108.4473	9.156	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]C)	110.1605	0.838	2	110.1605	0.702	2	110.1605	0.702	2	108.4473	9.156	3	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]C)	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]C)	106.8400	0.530	2	106.8400	0.281	2	106.8400	0.281	2	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[5]C[5,6,6]C[5]C)	105.8305	0.319	2	105.8305	0.102	2	105.8305	0.102	2	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]C)	105.9640	0.000	1	105.9640	0.000	1	105.9640	0.000	1	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6,6]C[5]C)	107.1860	0.000	1	107.1860	0.000	1	107.2354	0.300	5	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]C)	106.6360	0.000	1	106.6360	0.000	1	107.2354	0.300	5	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6,6]C[5]C)	107.6365	0.701	2	107.6365	0.491	2	107.2354	0.300	5	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]C)	107.0820	0.000	1	107.0820	0.000	1	107.2354	0.300	5	106.8262	0.575	11	110.4656	1.515	756	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	2:4:3:1:	4:	C[5,5]-3:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	2:4:4:1:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]N[5,6]H)	111.5315	0.005	2	111.5315	0.000	2	111.5315	0.000	2	111.5315	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.2245	0.026	2	111.2245	0.001	2	111.2245	0.001	2	111.3203	1.299	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.3683	1.468	4	111.3683	2.156	4	111.3683	2.156	4	111.3203	1.299	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:3:2:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC){1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0950	0.072	2	111.0950	0.005	2	111.0950	0.005	2	111.0950	0.005	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:3:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9550	0.038	2	110.9550	0.001	2	110.9550	0.001	2	110.9550	0.001	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0387	0.082	11	111.0387	0.007	11	111.0387	0.007	11	111.2800	0.516	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	112.9575	1.224	2	111.9988	2.148	4	111.7823	1.402	6	111.2800	0.516	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0400	1.127	2	111.9988	2.148	4	111.7823	1.402	6	111.2800	0.516	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3495	0.021	2	111.3495	0.000	2	111.7823	1.402	6	111.2800	0.516	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1000	0.038	2	111.1000	0.001	2	111.1000	0.001	2	111.2800	0.516	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:2:2:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.2927	0.089	8	111.2927	0.008	8	111.2980	0.006	10	111.2980	0.006	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:2:2:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3190	0.021	2	111.3190	0.000	2	111.2980	0.006	10	111.2980	0.006	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.7230	3.865	2	111.7230	14.939	2	111.7230	14.939	2	111.0900	2.452	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1725	0.202	4	111.1725	0.041	4	111.1725	0.041	4	111.0900	2.452	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:2:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.2920	0.048	2	110.2920	0.002	2	110.2920	0.002	2	111.0900	2.452	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1075	0.046	2	111.1075	0.002	2	111.1075	0.002	2	110.8970	0.060	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.6865	0.023	2	110.6865	0.001	2	110.6865	0.001	2	110.8970	0.060	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9207	1.178	4	110.9207	1.387	4	110.9207	1.387	4	110.9207	1.387	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1249	0.048	8	111.0957	0.006	10	111.0957	0.006	10	110.8110	0.099	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	110.9790	0.011	2	111.0957	0.006	10	111.0957	0.006	10	110.8110	0.099	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0200	0.017	2	111.0200	0.000	2	111.0200	0.000	2	110.8110	0.099	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]N[5,5]H)	110.4578	0.074	8	110.4578	0.005	8	110.4578	0.005	8	110.8110	0.099	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5,6]H)	110.5920	0.013	2	110.5920	0.000	2	110.5920	0.000	2	110.8110	0.099	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3225	0.022	2	111.3225	0.000	2	111.3225	0.000	2	111.0555	0.115	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1285	0.023	2	111.1285	0.001	2	110.9657	0.106	11	111.0555	0.115	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3005	0.014	4	111.3005	0.000	4	110.9657	0.106	11	111.0555	0.115	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.6328	0.032	5	110.6328	0.001	5	110.9657	0.106	11	111.0555	0.115	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	H(C[5]N[5,5a]C[5,6]H)	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.0555	0.115	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:2:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6])	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6]){1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9513	0.046	4	110.9513	0.002	4	110.9513	0.002	4	110.9513	0.002	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9260	0.011	2	110.9260	0.000	2	111.0757	0.014	6	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1560	0.008	2	111.1560	0.000	2	111.0757	0.014	6	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1450	0.008	2	111.1450	0.000	2	111.0757	0.014	6	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1820	0.028	2	111.0058	0.042	4	111.0058	0.042	4	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.8295	0.005	2	111.0058	0.042	4	111.0058	0.042	4	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3460	0.193	6	111.2489	0.380	28	111.2489	0.380	28	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3260	0.126	16	111.2489	0.380	28	111.2489	0.380	28	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9280	1.744	4	111.2489	0.380	28	111.2489	0.380	28	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9820	0.071	2	111.2489	0.380	28	111.2489	0.380	28	111.1959	0.291	38	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.2622	0.941	4	110.2622	0.886	4	110.5460	0.725	6	110.5460	0.725	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1135	0.005	2	111.1135	0.000	2	110.5460	0.725	6	110.5460	0.725	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.9160	0.004	2	111.9160	0.000	2	111.9160	0.000	2	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5a]C[5,6]H)	111.8665	0.068	19	111.8665	0.005	19	111.8152	0.031	21	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H){1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5,6]H)	111.3275	0.039	2	111.3275	0.002	2	111.8152	0.031	21	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5a]C[5,6]H)	111.8217	0.134	6	111.8217	0.018	6	111.7890	0.012	10	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5a]C[5,6]H)	111.7400	0.005	4	111.7400	0.000	4	111.7890	0.012	10	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0675	0.186	4	111.0675	0.034	4	111.0675	0.034	4	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.2010	0.017	2	111.2010	0.000	2	111.5943	1.633	14	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.4509	0.693	8	111.4509	0.480	8	111.5943	1.633	14	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	112.5940	3.922	2	112.5940	15.379	2	111.5943	1.633	14	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.5615	0.141	2	111.5615	0.020	2	111.5943	1.633	14	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9780	0.000	1	110.9780	0.000	1	111.2044	0.012	11	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1840	0.037	2	111.1840	0.001	2	111.2044	0.012	11	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3650	0.000	1	111.3650	0.000	1	111.2044	0.012	11	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1677	0.023	4	111.2196	0.007	7	111.2044	0.012	11	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1980	0.000	1	111.2196	0.007	7	111.2044	0.012	11	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3340	0.018	2	111.2196	0.007	7	111.2044	0.012	11	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5a]C[5,6]H)	111.8375	0.006	2	111.8375	0.000	2	111.6543	0.015	12	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5,6]H)	111.5212	0.070	4	111.5212	0.005	4	111.6543	0.015	12	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5,6]H)	111.6820	0.027	6	111.6820	0.001	6	111.6543	0.015	12	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5,6]H)	111.0700	0.022	4	111.0700	0.000	4	110.7633	0.226	6	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6]N[5,6]H)	110.1500	0.025	2	110.1500	0.001	2	110.7633	0.226	6	111.5487	0.399	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.7185	0.022	2	110.7185	0.000	2	110.7185	0.000	2	110.7185	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]HH)2(C[6]O[6]HH)2	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2{1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5]C[5,6]HH)2(C[6]O[6]HH)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]2H)	111.3103	0.057	7	111.3103	0.003	7	111.3103	0.003	7	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	110.9882	0.156	4	110.9650	0.016	6	111.0508	0.043	10	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	110.9185	0.006	2	110.9650	0.016	6	111.0508	0.043	10	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	110.9570	0.025	2	110.9570	0.001	2	111.0508	0.043	10	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.4020	0.007	2	111.4020	0.000	2	111.0508	0.043	10	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.8633	0.048	6	110.8633	0.002	6	110.9154	0.007	10	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9935	0.048	4	110.9935	0.002	4	110.9154	0.007	10	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6,6]-3:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[5]N[5,6,6]C[5,6]H)	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2{5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[5]N[5,6,6]C[5,6]H)	108.6165	4.084	2	108.6165	16.675	2	108.6165	16.675	2	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5,6]H)	110.8230	0.014	2	110.8230	0.000	2	110.8230	0.000	2	110.8940	0.966	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:2:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]O)	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:2:1:	4:2:2:4:	4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H)	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.2696	0.187	7	109.2696	0.035	7	109.2696	0.035	7	109.2696	0.035	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.4620	0.000	1	109.4450	0.001	2	109.4450	0.001	2	109.4450	0.001	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.4280	0.000	1	109.4450	0.001	2	109.4450	0.001	2	109.4450	0.001	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,5a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,5a]C[5,6]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]C[5,6]O)	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	111.4685	0.178	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H){3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]O)	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	111.4685	0.178	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:2:1:	4:4:4:2:	4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:2:2:4:	4:	C[5a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H)	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	H(C[5]C[5,6]C[5a]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6]C[5a]N[5])	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:2:3:3:	4:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]2C[6a])	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:3:3:3:	4:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)(H)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C)	106.8300	0.455	2	106.8300	0.207	2	106.8300	0.207	2	106.8300	0.207	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C)	108.9275	0.186	2	108.9275	0.035	2	108.9275	0.035	2	109.2667	0.362	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]C[6a])	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.2667	0.362	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2{2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]C)	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]H)(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	H(C[5]C[5,6a]C[5,6]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,6]N)	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]C)	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	H(C[5]C[5,5a]C[5,6]S)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5a]C[5,6]S)	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	108.7781	1.133	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C)	106.8690	0.000	1	106.8690	0.000	1	108.3180	1.577	3	108.7781	1.133	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C)	109.0425	0.064	2	109.0425	0.004	2	108.3180	1.577	3	108.7781	1.133	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C)	108.7730	0.000	2	108.7730	0.000	2	108.7730	0.000	2	108.7781	1.133	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	H(C[5]C[5,6a]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C[5])	108.4810	0.154	2	108.4810	0.024	2	108.4810	0.024	2	108.7781	1.133	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2{2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C)	106.8660	0.000	1	106.8660	0.000	1	106.8660	0.000	1	106.8660	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4773	0.076	3	106.4773	0.006	3	106.4793	0.004	4	106.4793	0.004	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4850	0.000	1	106.4850	0.000	1	106.4793	0.004	4	106.4793	0.004	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H){2|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5,6]2C)	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	107.7590	0.107	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C)	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	107.7590	0.107	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	106.8530	0.259	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	106.8530	0.259	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:2:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2{3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	110.7780	0.066	2	110.7780	0.004	2	110.7780	0.004	2	110.7780	0.004	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	111.2310	0.030	4	111.2310	0.001	4	111.0863	0.016	10	111.0863	0.016	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.9898	0.028	6	110.9898	0.001	6	111.0863	0.016	10	111.0863	0.016	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.0772	0.072	6	111.0746	0.003	16	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.0731	0.044	10	111.0746	0.003	16	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.9578	0.035	18	111.0608	0.177	49	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.1315	0.057	6	111.0608	0.177	49	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	111.1179	0.583	25	111.0608	0.177	49	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.0682	0.121	24	111.3870	1.872	28	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	113.3000	3.324	4	111.3870	1.872	28	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	H(C[5]C[5,6]O[5]H)	111.0080	0.016	2	111.0080	0.000	2	111.1581	0.651	95	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	H(C[5]C[5,6]S[5]H)	109.4920	4.035	2	109.4920	16.279	2	109.4920	16.279	2	111.1238	0.864	97	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	2:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.2300	0.031	2	111.2300	0.001	2	111.2300	0.001	2	111.2300	0.001	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	111.3175	0.019	2	111.2008	0.012	6	111.2008	0.012	6	111.1103	0.026	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	111.1425	0.077	4	111.2008	0.012	6	111.2008	0.012	6	111.1103	0.026	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.9470	0.013	2	110.9470	0.000	2	110.9293	0.001	3	111.1103	0.026	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.8940	0.000	1	110.8940	0.000	1	110.9293	0.001	3	111.1103	0.026	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8035	0.016	2	110.8035	0.000	2	110.8035	0.000	2	110.8628	0.037	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.7705	0.008	4	110.7705	0.000	4	110.8704	0.050	5	110.8628	0.037	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	111.2700	0.000	1	111.2700	0.000	1	110.8704	0.050	5	110.8628	0.037	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	111.1265	0.021	2	111.1265	0.000	2	111.1265	0.000	2	110.8628	0.037	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:3:4:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]S[5]H)	110.7512	0.126	4	110.7512	0.016	4	110.7512	0.016	4	110.8628	0.037	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:3:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2{2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH){2|H<1>,6|C<3>}	H(C[5]C[5,6]O[5]H)	110.3420	0.033	3	110.3420	0.001	3	110.3420	0.001	3	110.3420	0.001	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:2:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7037	0.029	3	110.7037	0.001	3	110.7037	0.001	3	110.7037	0.001	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.0985	3.928	2	111.0985	15.429	2	111.0030	7.742	3	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8120	0.000	1	110.8120	0.000	1	111.0030	7.742	3	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.8478	0.246	4	110.8478	0.060	4	111.3044	2.383	13	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.8697	0.036	3	111.7089	4.322	7	111.3044	2.383	13	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	113.2500	4.347	2	111.7089	4.322	7	111.3044	2.383	13	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	111.4265	0.097	2	111.7089	4.322	7	111.3044	2.383	13	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.8020	0.008	2	110.8020	0.000	2	111.3044	2.383	13	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]S[5]H)	111.2790	0.000	1	110.8469	0.055	9	110.8469	0.055	9	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]S[5]H)	110.5995	0.013	2	110.8469	0.055	9	110.8469	0.055	9	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]S[5]H)	110.8573	0.161	6	110.8469	0.055	9	110.8469	0.055	9	111.1035	1.903	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	111.0540	0.020	2	111.0540	0.000	2	111.0540	0.000	2	110.1060	1.198	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]Si[5])(H)2	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]Si[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	H(C[5]C[5,6]O[5]H)	109.1580	0.006	2	109.1580	0.000	2	109.1580	0.000	2	110.1060	1.198	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.8023	0.079	6	110.8023	0.006	6	111.0892	1.650	10	111.0120	1.383	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	111.5195	2.128	4	111.5195	4.529	4	111.0892	1.650	10	111.0120	1.383	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.6410	0.000	1	110.6410	0.000	1	110.6410	0.000	1	111.0120	1.383	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:3:4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(S[5]C[5])(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]C[6]C)(S[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	H(C[5]C[5,6]S[5]H)	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	111.0120	1.383	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7480	0.030	2	110.7480	0.001	2	110.7480	0.001	2	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.4020	4.968	2	110.4020	24.682	2	110.5442	2.751	10	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	110.5975	0.082	4	110.5975	0.007	4	110.5442	2.751	10	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[5]C[5,6]O[5]H)	110.5895	0.036	2	110.5895	0.001	2	110.5442	2.751	10	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	110.5345	0.035	2	110.5345	0.001	2	110.5442	2.751	10	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	111.9865	1.215	6	111.9865	1.477	6	111.9865	1.477	6	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.8850	0.039	5	110.8850	0.002	5	110.8073	0.019	7	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	H(C[5]C[5,6]O[5]H)	110.6130	0.006	2	110.6130	0.000	2	110.8073	0.019	7	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	110.9055	0.045	2	110.9055	0.002	2	110.9055	0.002	2	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.8450	0.042	2	110.8450	0.002	2	111.1747	1.154	15	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.6105	0.009	2	110.6105	0.000	2	111.1747	1.154	15	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7680	0.000	1	110.8059	0.129	9	111.1747	1.154	15	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.5890	0.058	2	110.8059	0.129	9	111.1747	1.154	15	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.8845	0.423	6	110.8059	0.129	9	111.1747	1.154	15	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	113.7280	0.052	2	113.7280	0.003	2	111.1747	1.154	15	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.1615	0.033	2	111.1615	0.001	2	111.1615	0.001	2	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H){3|C<3>}	H(C[5]C[5,6]S[5]H)	110.0640	0.000	1	110.0640	0.000	1	110.0640	0.000	1	111.0295	1.320	45	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.2466	0.037	5	110.2466	0.001	5	110.2466	0.001	5	110.2543	0.001	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.2735	0.032	2	110.2735	0.001	2	110.2735	0.001	2	110.2543	0.001	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.4875	0.019	2	110.4875	0.000	2	110.4680	0.001	4	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3){2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.4485	0.016	2	110.4485	0.000	2	110.4680	0.001	4	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.5380	0.011	2	110.5380	0.000	2	110.6535	0.575	4	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.7690	1.293	2	110.7690	1.671	2	110.6535	0.575	4	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.2720	0.013	2	110.2720	0.000	2	110.6642	0.052	11	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.9003	0.130	3	110.9003	0.017	3	110.6642	0.052	11	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.6795	0.033	2	110.6795	0.001	2	110.6642	0.052	11	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.6315	0.036	2	110.6315	0.001	2	110.6642	0.052	11	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7195	0.040	2	110.7195	0.002	2	110.6642	0.052	11	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2{2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.4665	0.009	2	110.4665	0.000	2	110.4665	0.000	2	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.0953	0.031	3	110.0953	0.001	3	110.0953	0.016	6	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]HH)2{1|Ir<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.0953	0.195	3	110.0953	0.038	3	110.0953	0.016	6	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO){1|C<3>,1|C<4>}	H(C[5]C[5,6]O[5]H)	112.5420	3.356	2	112.5420	11.262	2	112.5420	11.262	2	110.6338	0.814	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.8840	0.070	3	110.8840	0.005	3	110.8840	0.005	3	110.8736	0.003	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.8580	0.010	2	110.8580	0.000	2	110.8580	0.000	2	110.8736	0.003	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	112.2342	1.345	19	112.2342	1.809	19	112.2342	1.809	19	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	111.4813	1.675	12	111.4813	2.807	12	111.4813	2.807	12	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.0550	0.027	2	111.0550	0.001	2	111.7982	1.834	6	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	113.4855	0.742	2	112.1697	2.505	4	111.7982	1.834	6	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.8540	0.198	2	112.1697	2.505	4	111.7982	1.834	6	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6953	0.038	3	110.6953	0.001	3	110.6953	0.001	3	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.9880	0.051	2	110.9880	0.003	2	110.9880	0.003	2	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.8092	2.507	8	110.9808	4.330	12	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.3238	0.985	4	110.9808	4.330	12	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.7087	1.044	10	111.7087	1.090	10	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	110.9565	0.011	2	110.9565	0.000	2	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6805	2.685	2	110.6805	7.209	2	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.8360	0.017	2	110.8360	0.000	2	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6118	1.077	4	110.6118	1.160	4	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.7365	0.059	6	110.7365	0.003	6	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.9040	0.011	2	110.9040	0.000	2	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]O[5]H)	111.6925	1.315	2	111.6925	1.728	2	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.7575	0.053	8	110.7589	0.005	12	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	H(C[5]C[5,6]O[5]H)	110.7618	0.109	4	110.7589	0.005	12	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.9910	0.018	2	111.0374	0.007	9	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	111.0710	0.000	1	111.0374	0.007	9	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	111.0473	0.101	6	111.0374	0.007	9	111.0207	1.257	63	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]S[5]H)	110.5075	0.358	4	110.5075	0.128	4	110.5075	0.128	4	111.2973	1.649	109	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:2:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2{3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.3260	0.013	2	110.3260	0.000	2	110.3260	0.000	2	110.3260	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:3:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.2653	0.050	4	110.2653	0.002	4	110.2653	0.002	4	110.2653	0.002	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[3,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6880	0.035	2	110.6880	0.001	2	110.6880	0.001	2	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.7523	0.345	6	110.7523	0.119	6	110.8105	0.118	11	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	111.0380	0.114	4	110.8804	0.134	5	110.8105	0.118	11	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.2500	0.000	1	110.8804	0.134	5	110.8105	0.118	11	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6480	0.006	2	110.6480	0.000	2	110.6480	0.000	2	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.9175	0.033	2	110.9175	0.001	2	110.9175	0.001	2	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.5544	0.173	5	110.5544	0.030	5	110.6353	0.039	7	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.8375	0.006	2	110.8375	0.000	2	110.6353	0.039	7	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]O[5]H)	110.6455	0.040	2	110.6455	0.002	2	110.6455	0.002	2	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]S[5]H)	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:1:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]S[5]H)	110.8830	0.192	4	110.8830	0.037	4	110.8830	0.037	4	110.7436	0.066	31	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]O[5]H)	111.5890	4.216	2	111.5890	17.773	2	111.5890	17.773	2	110.7499	2.267	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.2380	0.038	2	110.2380	0.001	2	110.2380	0.001	2	110.7499	2.267	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:N[5]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6]){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.8680	0.051	4	110.8680	0.003	4	110.8680	0.003	4	110.7499	2.267	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:2:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	H(C[5]C[5,6]S[5]H)	110.1865	0.021	2	110.1865	0.000	2	110.1865	0.000	2	110.7499	2.267	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.5431	0.046	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.4065	0.013	2	110.4065	0.000	2	110.4065	0.000	2	110.5431	0.046	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.4725	0.013	2	110.4725	0.000	2	110.4725	0.000	2	110.5431	0.046	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8510	0.018	2	110.8510	0.000	2	110.8510	0.000	2	110.5431	0.046	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	111.1165	1.879	2	110.5074	0.506	10	110.6292	0.495	12	110.6292	0.495	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.3551	0.117	8	110.5074	0.506	10	110.6292	0.495	12	110.6292	0.495	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:2:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]O[5]H)	111.2385	0.021	2	111.2385	0.000	2	110.6292	0.495	12	110.6292	0.495	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:2:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{2|O<2>,4|C<4>}	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.8720	0.021	2	110.8720	0.000	2	110.8720	0.000	2	110.8720	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(H)2{1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	110.7425	0.013	2	110.7425	0.000	2	110.7425	0.000	2	110.7425	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	111.2730	0.013	2	111.2730	0.000	2	111.2730	0.000	2	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	110.6930	0.017	2	111.8455	15.927	4	111.3135	10.235	6	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	112.9980	6.517	2	111.8455	15.927	4	111.3135	10.235	6	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.2495	0.015	2	110.2495	0.000	2	111.3135	10.235	6	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.1235	0.323	8	111.1235	0.105	8	111.2653	0.746	22	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.7691	1.266	8	111.4528	1.248	12	111.2653	0.746	22	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	110.9530	0.000	1	111.4528	1.248	12	111.2653	0.746	22	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.5440	0.000	1	111.4528	1.248	12	111.2653	0.746	22	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8920	0.006	2	111.4528	1.248	12	111.2653	0.746	22	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.7070	0.037	2	110.7070	0.001	2	111.2653	0.746	22	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.8705	0.009	2	110.8705	0.000	2	110.8705	0.000	2	111.2501	2.166	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	110.7255	0.043	2	110.7255	0.002	2	110.7255	0.002	2	110.6928	0.378	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.4570	0.008	2	110.4570	0.000	2	110.4570	0.000	2	110.6928	0.378	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.9075	1.561	2	110.9075	2.435	2	110.7943	0.829	4	110.6928	0.378	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	110.6810	0.006	2	110.6810	0.000	2	110.7943	0.829	4	110.6928	0.378	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[4,5]C[6]2)(O[5]C[5])(H)2	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[4,5]C[6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.9065	0.040	2	110.9065	0.002	2	110.9065	0.002	2	110.6050	0.122	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:3:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	H(C[5]C[5,6]S[5]H)	110.3035	0.009	2	110.3035	0.000	2	110.3035	0.000	2	110.6050	0.122	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3){1|S<4>,3|C<3>}	H(C[5]C[5,6]N[5]H)	110.9995	0.019	2	110.9995	0.000	2	110.9995	0.000	2	110.9047	0.105	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	111.0617	0.052	3	111.0617	0.003	3	111.0617	0.003	3	110.9047	0.105	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7900	0.041	2	110.7900	0.002	2	110.7395	0.211	4	110.9047	0.105	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6890	0.788	2	110.6890	0.620	2	110.7395	0.211	4	110.9047	0.105	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.9565	0.025	2	110.9565	0.001	2	110.9565	0.001	2	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7085	0.008	2	110.7085	0.000	2	110.7085	0.000	2	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2{3|H<1>,4|C<4>}	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	111.6030	1.665	2	111.6030	2.771	2	111.6030	2.771	2	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.6950	0.017	2	110.6950	0.000	2	110.6950	0.000	2	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6260	0.021	2	110.6260	0.000	2	110.8261	0.050	12	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	111.1170	0.427	2	111.1170	0.182	2	110.8261	0.050	12	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8395	0.175	4	110.8325	0.018	6	110.8261	0.050	12	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.8185	0.011	2	110.8325	0.018	6	110.8261	0.050	12	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.7160	0.010	2	110.7160	0.000	2	110.8261	0.050	12	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){4|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	110.3650	0.014	2	110.3650	0.000	2	111.0841	1.365	7	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.3610	0.000	1	110.3610	0.000	1	111.0841	1.365	7	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	112.7925	0.081	2	112.7925	0.007	2	111.0841	1.365	7	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]O[5]H)	110.4565	0.011	2	110.4565	0.000	2	111.0841	1.365	7	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br){1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	111.2565	0.009	2	111.2565	0.000	2	111.2565	0.000	2	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.4868	0.124	6	110.4868	0.015	6	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.3320	2.225	2	110.3320	4.949	2	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8049	0.032	7	110.8049	0.001	7	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.7410	0.017	2	112.2540	3.395	4	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	113.7670	1.014	2	112.2540	3.395	4	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8200	0.000	1	110.4638	0.271	9	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.4193	0.538	8	110.4638	0.271	9	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	110.8060	0.022	3	110.8060	0.000	3	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.8035	0.042	2	110.5292	0.064	5	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.3205	0.016	2	110.5292	0.064	5	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.3980	0.000	1	110.5292	0.064	5	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	115.7575	1.983	2	115.7575	3.934	2	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	110.3658	0.062	5	110.3658	0.004	5	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.9745	0.012	2	111.0060	0.006	5	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	H(C[5]C[5,6]O[5]H)	111.0270	0.101	3	111.0060	0.006	5	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	112.2860	0.791	2	111.4695	1.099	4	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.6530	0.069	2	111.4695	1.099	4	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	110.3820	0.118	5	110.3820	0.014	5	110.9410	1.566	57	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.6780	0.020	2	110.6780	0.000	2	110.6780	0.000	2	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	H(C[5]C[5,6]O[5]H)	110.4615	0.018	2	110.4615	0.000	2	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	112.3580	0.298	2	112.3580	0.089	2	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.8195	0.023	2	110.8195	0.001	2	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	110.7715	0.870	2	110.7715	0.758	2	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7175	0.268	6	110.6898	0.054	8	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.6065	0.023	2	110.6898	0.054	8	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	111.1670	0.000	1	110.9959	0.021	9	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	110.9745	0.137	8	110.9959	0.021	9	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	111.6490	1.280	6	111.6490	1.640	6	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	111.0650	0.007	2	111.0623	0.000	4	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.0595	0.026	2	111.0623	0.000	4	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.8270	0.018	2	110.8270	0.000	2	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.8830	0.058	2	110.8830	0.003	2	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	116.6647	2.163	4	116.6647	4.678	4	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.3715	0.056	2	110.3715	0.003	2	111.5170	3.377	45	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]O[5]H)	110.7530	0.013	2	110.7530	0.000	2	110.6710	0.065	9	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	H(C[5]C[5,6]O[5]H)	110.6090	0.023	2	110.6090	0.001	2	110.6710	0.065	9	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.7415	0.651	2	110.7415	0.424	2	110.6710	0.065	9	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.7060	0.011	2	110.7060	0.000	2	110.6710	0.065	9	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	110.4200	0.000	1	110.4200	0.000	1	110.6710	0.065	9	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.3625	0.050	2	110.3625	0.003	2	110.6973	0.089	14	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.3215	0.005	2	110.3215	0.000	2	110.6973	0.089	14	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	111.0890	0.000	1	110.7453	0.089	3	110.6973	0.089	14	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.5735	0.013	2	110.7453	0.089	3	110.6973	0.089	14	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.6045	0.035	2	110.6045	0.001	2	110.6973	0.089	14	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.9898	0.066	5	110.9898	0.004	5	110.6973	0.089	14	111.0705	1.710	156	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2	C[5,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[5]O[5]HH)(O[5]S[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[5]O[5]HH)(O[5]S[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.3665	0.012	2	110.3665	0.000	2	110.3665	0.000	2	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.4305	0.069	2	110.4305	0.005	2	110.4305	0.005	2	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.3735	0.053	2	110.3735	0.003	2	110.3593	0.001	6	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.3420	0.023	2	110.3522	0.001	4	110.3593	0.001	6	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.3625	0.047	2	110.3522	0.001	4	110.3593	0.001	6	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7385	0.016	2	110.7385	0.000	2	110.7385	0.000	2	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	110.8450	0.632	2	110.8450	0.400	2	110.8450	0.400	2	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	111.3860	0.000	1	111.3860	0.000	1	111.3193	0.004	3	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	111.2860	0.035	2	111.2860	0.001	2	111.3193	0.004	3	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.7490	0.018	2	110.7490	0.000	2	110.7490	0.000	2	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.1475	0.022	2	110.1475	0.000	2	110.1475	0.000	2	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.7805	0.006	2	110.7805	0.000	2	110.9345	0.016	6	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	111.0540	0.049	2	111.0115	0.003	4	110.9345	0.016	6	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.9690	0.006	2	111.0115	0.003	4	110.9345	0.016	6	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5])	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2{1|O<2>,1|S<1>,2|C<4>,4|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5]){1|C<4>,1|O<2>,1|S<1>,4|H<1>}	H(C[5]C[5,6]O[5]H)	109.7385	0.009	2	109.7385	0.000	2	109.7385	0.000	2	110.6121	0.190	29	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	109.9980	0.074	3	109.9980	0.005	3	109.9980	0.005	3	110.4547	0.138	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(COO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|N<3>,1|N<4>,4|C<3>}	H(C[5]C[5,6]O[5]H)	110.5830	0.017	4	110.5830	0.000	4	110.5830	0.000	4	110.4547	0.138	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.8597	0.025	4	110.8597	0.001	4	110.8597	0.001	4	110.4547	0.138	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.0730	0.051	2	110.0730	0.003	2	110.0730	0.003	2	110.4547	0.138	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6])(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6])(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.2823	0.046	6	110.2823	0.002	6	110.2823	0.002	6	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<3>}	H(C[5]C[5,6]N[5]H)	109.8975	0.023	2	109.8975	0.001	2	109.8975	0.001	2	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.5602	0.091	4	110.5602	0.008	4	111.0453	2.326	13	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.5980	1.510	2	110.5980	2.281	2	111.0453	2.326	13	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]O)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]O)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.1730	0.000	1	110.1730	0.000	1	111.0453	2.326	13	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	114.1870	1.444	2	114.1870	2.085	2	111.0453	2.326	13	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CCHH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CCHH){2|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.4013	0.088	4	110.4013	0.008	4	111.0453	2.326	13	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.3143	0.243	4	110.3143	0.059	4	110.4353	0.071	6	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.6775	0.032	2	110.6775	0.001	2	110.4353	0.071	6	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.3960	0.000	1	110.3960	0.000	1	110.5334	0.035	14	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.2630	0.138	3	110.2630	0.019	3	110.5334	0.035	14	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.6283	0.096	10	110.6283	0.009	10	110.5334	0.035	14	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	109.9995	0.008	2	109.9995	0.000	2	109.9995	0.000	2	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.3510	0.006	2	110.3510	0.000	2	110.3510	0.000	2	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.5035	0.009	2	110.4548	0.002	6	110.4548	0.002	6	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.4305	0.034	4	110.4548	0.002	6	110.4548	0.002	6	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.8465	0.035	2	110.8465	0.001	2	110.6695	0.042	4	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.4925	0.013	2	110.4925	0.000	2	110.6695	0.042	4	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.7720	0.016	2	110.7720	0.000	2	110.7720	0.000	2	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.4040	0.040	2	110.4040	0.002	2	110.5439	0.059	26	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.0910	0.065	2	110.0910	0.004	2	110.5439	0.059	26	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.3110	0.047	2	110.3110	0.002	2	110.5439	0.059	26	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.4795	0.025	4	110.7018	0.081	8	110.5439	0.059	26	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	110.9240	0.240	4	110.7018	0.081	8	110.5439	0.059	26	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH){1|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	110.6505	0.013	2	110.6505	0.000	2	110.5439	0.059	26	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	110.5614	0.109	10	110.5614	0.012	10	110.5439	0.059	26	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	110.2165	0.223	6	110.2165	0.050	6	110.2165	0.050	6	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	110.5970	0.047	2	110.5970	0.002	2	110.5970	0.002	2	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC){3|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.1230	0.018	2	110.1230	0.000	2	110.1230	0.000	2	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	110.2940	0.000	1	110.2940	0.000	1	109.9975	0.041	4	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	109.8987	0.057	3	109.8987	0.003	3	109.9975	0.041	4	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2{1|N<4>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	H(C[5]C[5,6]S[5]H)	110.5270	0.017	2	110.5270	0.000	2	110.5270	0.000	2	110.5125	0.391	99	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]O)	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,2|S<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]O)	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	110.6620	1.186	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]O)	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	110.6620	1.186	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	3:4:4:2:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]O[5]O)	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]O)	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	112.4270	11.664	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	3:4:4:4:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]O)	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	112.4270	11.664	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	110.9110	0.000	1	110.5380	0.126	3	110.5380	0.126	3	110.5380	0.126	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]O)	110.3515	0.206	2	110.5380	0.126	3	110.5380	0.126	3	110.5380	0.126	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]O)	110.0020	0.000	2	110.0020	0.000	2	110.3088	0.182	4	110.3088	0.182	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]O)	110.9060	0.000	1	110.6155	0.169	2	110.3088	0.182	4	110.3088	0.182	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]O)	110.3250	0.000	1	110.6155	0.169	2	110.3088	0.182	4	110.3088	0.182	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]O)	110.2500	0.054	2	110.2780	0.004	3	110.1572	0.039	6	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]O)	110.3340	0.000	1	110.2780	0.004	3	110.1572	0.039	6	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]O)	109.9365	0.197	2	109.9365	0.039	2	110.1572	0.039	6	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]O)	110.2360	0.000	1	110.2360	0.000	1	110.1572	0.039	6	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]O)	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]O)	112.2280	0.000	1	116.7995	41.797	2	114.6190	35.162	3	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	121.3710	0.000	1	116.7995	41.797	2	114.6190	35.162	3	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H){1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]O)	110.2580	0.000	1	110.2580	0.000	1	114.6190	35.162	3	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]O)	110.9960	0.000	1	110.9960	0.000	1	113.4175	9.291	4	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]O)	116.0495	0.275	2	114.2247	10.028	3	113.4175	9.291	4	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]O)	110.5750	0.000	1	114.2247	10.028	3	113.4175	9.291	4	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]O)	109.9960	0.227	3	109.9172	0.059	4	109.9172	0.059	4	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]O)	109.6810	0.000	1	109.9172	0.059	4	109.9172	0.059	4	111.4939	9.283	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]O)	109.7530	0.000	1	109.7530	0.000	1	110.0255	0.149	2	110.0255	0.149	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:2:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	H(C[5]C[5,6]O[5]O)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]O)	110.2980	0.000	1	110.2980	0.000	1	110.0255	0.149	2	110.0255	0.149	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	2:4:3:3:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|O<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	2:4:4:3:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	3:3:4:1:	4:	C[5,6]-4:N[5]-2:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,6]N[5]C)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	3:3:4:2:	4:	C[5,6]-4:S[5]-2:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5])	H(C[5]C[5,6]S[5]C)	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H){1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5]){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]S[5]C)	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]O[5]C)	110.1650	0.000	1	110.1650	0.000	1	109.9662	0.014	5	109.9662	0.014	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]C)	109.8970	0.059	2	109.9165	0.002	4	109.9662	0.014	5	109.9662	0.014	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]C)	109.9360	0.020	2	109.9165	0.002	4	109.9662	0.014	5	109.9662	0.014	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	3:4:4:2:	4:	C[5,6]-4:O[5]-2:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O[5])	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	107.7820	0.000	1	107.7820	0.000	1	109.0247	1.238	3	109.0247	1.238	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	109.6460	0.399	2	109.6460	0.159	2	109.0247	1.238	3	109.0247	1.238	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	108.5720	0.000	2	108.5720	0.000	2	108.5720	0.000	2	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H)	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	110.2960	0.008	2	110.2960	0.000	2	110.2960	0.000	2	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5,6]O[5]C)	108.0270	0.000	1	108.0270	0.000	1	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	111.2230	2.623	2	109.9742	4.843	4	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]C)	107.8860	0.000	1	109.9742	4.843	4	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	109.5650	0.000	1	109.9742	4.843	4	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]C)	109.0080	0.000	1	109.0080	0.000	1	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]O[5]C)	109.8310	0.000	1	107.9910	6.771	2	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]O[5]C)	106.1510	0.000	1	107.9910	6.771	2	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]C)	109.1100	0.000	1	109.1100	0.000	1	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]C)	108.8050	0.000	1	108.8050	0.000	1	109.0829	3.118	10	109.1832	2.414	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:3:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]C)	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	109.5005	0.258	2	109.5005	0.067	2	109.2630	0.422	4	109.2630	0.422	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	2:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]C)	109.0255	0.986	2	109.0255	0.973	2	109.2630	0.422	4	109.2630	0.422	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]C)	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]C)	110.4010	0.000	1	110.2975	0.021	2	110.2975	0.021	2	110.2975	0.021	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]C)	110.1940	0.000	1	110.2975	0.021	2	110.2975	0.021	2	110.2975	0.021	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){2|C<3>}	H(C[5]C[5,6]O[5]C)	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.7945	0.173	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	109.7945	0.173	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	109.6710	0.000	1	109.6710	0.000	1	109.9260	0.063	9	109.7945	0.173	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]C)	109.9277	0.251	7	109.9277	0.063	7	109.9260	0.063	9	109.7945	0.173	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]C)	110.1690	0.000	1	110.1690	0.000	1	109.9260	0.063	9	109.7945	0.173	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[3,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]C)	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	109.3490	0.442	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H){2|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]C)	109.6950	0.030	2	109.6950	0.001	2	109.6950	0.001	2	109.3490	0.442	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	H(C[5]C[5,6]O[5]C)	109.3510	0.000	1	109.3510	0.000	1	109.4670	0.516	6	109.3490	0.442	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	110.7670	0.000	1	110.7670	0.000	1	109.4670	0.516	6	109.3490	0.442	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]C)	109.0580	0.000	1	109.0580	0.000	1	109.4670	0.516	6	109.3490	0.442	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]C)	109.2087	0.505	3	109.2087	0.255	3	109.4670	0.516	6	109.3490	0.442	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,6]O[5]C)	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	109.3490	0.442	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:3:4:4:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.4020	0.000	1	108.4020	0.000	1	108.4020	0.000	1	108.4020	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	110.6110	0.453	2	109.3940	1.922	11	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	110.2910	0.000	1	109.3940	1.922	11	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	109.7630	1.510	4	109.3940	1.922	11	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	107.9523	0.834	3	109.3940	1.922	11	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.9120	0.000	1	109.3940	1.922	11	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	108.2350	0.000	1	108.3920	0.030	4	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	108.4443	0.168	3	108.3920	0.030	4	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	108.9140	0.000	1	108.9140	0.000	1	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.0630	0.000	1	108.0630	0.000	1	109.0517	1.458	17	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	108.9691	1.495	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:2:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]O[5]C)	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:3:3:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H)	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H){4|C<3>,4|H<1>}	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6]O[5]C)	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]N[5]C)	108.7627	0.090	3	108.7627	0.008	3	108.7627	0.008	3	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6]O[5]C)	108.9525	0.122	2	108.9525	0.015	2	108.9525	0.015	2	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]C)	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]C)	108.9630	0.000	1	108.9630	0.000	1	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	107.3120	0.777	4	107.6157	0.615	6	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.2230	0.397	2	107.6157	0.615	6	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]C)	109.0120	0.000	1	109.0120	0.000	1	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.4780	0.000	1	108.3835	0.018	2	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.2890	0.000	1	108.3835	0.018	2	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]C)	109.0770	0.000	1	109.0770	0.000	1	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]C)	109.0330	0.000	1	109.0330	0.000	1	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.4330	0.000	1	108.4330	0.000	1	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]C)	108.1050	0.000	1	108.1050	0.000	1	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]C)	106.0110	0.000	1	106.0110	0.000	1	108.0730	0.895	15	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]O[5]C)	108.9990	0.000	1	108.9990	0.000	1	109.2210	0.099	2	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]O[5]C)	109.4430	0.000	1	109.4430	0.000	1	109.2210	0.099	2	108.3248	0.737	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:2:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5])	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]C)	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:3:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H)	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]C)	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	107.7483	0.679	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO){2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	107.7483	0.679	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:2:4:1:	4:4:4:4:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H)	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	107.7483	0.679	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	2:4:2:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6805	0.063	2	110.6805	0.004	2	110.6805	0.004	2	110.6805	0.004	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	2:4:4:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,4|C<4>}	H(C[5]C[5,6]N[5,6]H)	111.5515	0.039	2	111.5515	0.002	2	111.5515	0.002	2	111.5515	0.002	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	2:4:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	O[6]-2:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,3|H<1>}	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6]){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8855	0.260	4	110.8855	0.068	4	110.8855	0.068	4	110.8855	0.068	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,8|C<3>}	H(C[5]C[5,6]C[5]H)	112.2020	5.578	2	112.2020	31.110	2	112.2020	31.110	2	112.2020	31.110	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9355	0.006	2	110.9355	0.000	2	110.9355	0.000	2	110.9904	1.612	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0503	0.122	3	111.0503	0.015	3	111.4556	0.073	11	110.9904	1.612	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.6277	0.048	4	111.6277	0.002	4	111.4556	0.073	11	110.9904	1.612	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{1|C<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.6325	0.030	2	111.5875	0.003	4	111.4556	0.073	11	110.9904	1.612	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.5425	0.006	2	111.5875	0.003	4	111.4556	0.073	11	110.9904	1.612	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	109.7385	2.339	4	109.7385	5.470	4	109.7385	5.470	4	110.9904	1.612	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.4287	0.055	6	111.4287	0.003	6	111.4287	0.003	6	111.3056	0.025	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2750	0.143	3	111.2750	0.020	3	111.2750	0.020	3	111.3056	0.025	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0963	0.149	3	111.0963	0.022	3	111.0963	0.022	3	111.3056	0.025	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[6]-3:N[6]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2{1|C<4>,4|C<3>}	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.2965	0.013	2	111.2965	0.000	2	111.2965	0.000	2	111.3056	0.025	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]N[5]H)	110.6237	0.012	3	110.6237	0.000	3	110.6237	0.000	3	110.6237	0.000	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:2:2:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.4985	0.018	2	111.4985	0.000	2	111.4985	0.000	2	111.4985	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:2:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1250	0.122	2	111.1250	0.015	2	111.1250	0.015	2	111.1250	0.015	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:2:4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5a,6]-3:C[5]-4:O[5]-2:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0680	0.007	2	111.0680	0.000	2	111.0680	0.000	2	110.9953	0.016	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	110.9953	0.016	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]2H)	110.2166	1.897	8	110.5004	2.758	11	110.5596	2.549	12	110.7266	1.965	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.2570	0.107	3	110.5004	2.758	11	110.5596	2.549	12	110.7266	1.965	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.2110	0.000	1	111.2110	0.000	1	110.5596	2.549	12	110.7266	1.965	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.0805	0.021	2	111.2275	0.033	4	111.2275	0.033	4	110.7266	1.965	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.3745	0.112	2	111.2275	0.033	4	111.2275	0.033	4	110.7266	1.965	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.6600	0.023	2	110.6600	0.001	2	110.6600	0.001	2	110.6600	0.001	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2{1|Br<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	H(C[5]C[5,6]2H)	110.8790	0.011	2	110.8790	0.000	2	110.8790	0.000	2	110.8017	0.007	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7650	0.013	2	110.7708	0.007	5	110.7708	0.007	5	110.8017	0.007	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7747	0.116	3	110.7708	0.007	5	110.7708	0.007	5	110.8017	0.007	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.2875	0.013	2	111.2875	0.000	2	111.2875	0.000	2	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.5210	0.082	2	110.5210	0.007	2	110.4912	0.002	6	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4762	0.026	4	110.4762	0.001	4	110.4912	0.002	6	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8560	0.000	1	110.8560	0.000	1	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7406	0.114	10	110.7406	0.013	10	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.6223	0.978	6	111.6223	0.957	6	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3340	0.059	2	111.3340	0.004	2	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6010	0.021	2	110.6010	0.000	2	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7150	0.008	2	110.7150	0.000	2	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6645	0.016	2	110.6645	0.000	2	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.6335	0.015	2	110.6653	0.001	6	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6813	0.020	4	110.6653	0.001	6	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8465	0.018	2	110.7308	0.008	6	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6730	0.005	4	110.7308	0.008	6	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7785	0.047	2	110.7785	0.002	2	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.8157	0.008	6	110.8157	0.000	6	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0160	0.007	2	111.0160	0.000	2	110.8827	0.210	47	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1570	0.065	2	111.1570	0.004	2	110.8820	0.056	6	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6365	0.019	2	110.6365	0.000	2	110.8820	0.056	6	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8525	0.021	2	110.8525	0.000	2	110.8820	0.056	6	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.9600	0.020	2	110.9600	0.000	2	110.9600	0.000	2	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4015	0.049	2	111.4015	0.002	2	111.4015	0.002	2	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.5937	0.077	3	111.6378	0.007	5	111.6378	0.007	5	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{2|H<1>,3|C<4>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.7040	0.008	2	111.6378	0.007	5	111.6378	0.007	5	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0680	0.022	6	111.2890	0.115	18	111.2421	0.146	24	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3995	0.371	12	111.2890	0.115	18	111.2421	0.146	24	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4870	0.013	2	110.4870	0.000	2	111.2421	0.146	24	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2475	0.022	2	111.4085	0.035	4	111.2421	0.146	24	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<4>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.5695	0.026	2	111.4085	0.035	4	111.2421	0.146	24	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.6835	0.053	2	111.6835	0.003	2	111.6835	0.003	2	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	110.8830	0.042	2	110.8830	0.002	2	110.8830	0.002	2	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.3425	0.022	2	111.1140	0.070	4	111.1140	0.070	4	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.8855	0.026	2	111.1140	0.070	4	111.1140	0.070	4	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.1306	0.333	8	111.1306	0.111	8	111.1218	0.309	18	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.1845	0.023	2	111.1845	0.001	2	111.1218	0.309	18	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9973	0.519	4	111.1234	0.736	7	111.1218	0.309	18	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.2780	0.000	1	111.1234	0.736	7	111.1218	0.309	18	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.2985	1.860	2	111.1234	0.736	7	111.1218	0.309	18	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.9150	0.000	1	110.9150	0.000	1	111.1218	0.309	18	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	112.6150	0.638	2	112.6150	0.407	2	112.6150	0.407	2	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]H)	110.8402	0.047	6	110.8402	0.002	6	110.8402	0.002	6	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.8120	0.059	4	110.9884	0.060	7	110.9884	0.060	7	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.0280	0.000	1	110.9884	0.060	7	110.9884	0.060	7	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,6]N[5]H)	111.3215	0.032	2	110.9884	0.060	7	110.9884	0.060	7	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.1635	0.011	2	111.1635	0.000	2	111.1635	0.000	2	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	110.7615	0.018	2	111.0723	0.047	7	111.0381	0.040	9	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.2025	0.065	4	111.0723	0.047	7	111.0381	0.040	9	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Rh<6>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.1730	0.000	1	111.0723	0.047	7	111.0381	0.040	9	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.9185	0.023	2	110.9185	0.001	2	111.0381	0.040	9	111.0525	0.224	146	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:2:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.7045	1.158	2	110.7045	1.340	2	110.7045	1.340	2	110.7045	1.340	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	H(C[5]C[5,5a]C[5,6]H)	111.2745	1.394	2	111.2745	1.942	2	111.2745	1.942	2	111.1754	1.080	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,6]H)	112.0075	2.454	2	112.0075	6.024	2	112.0075	6.024	2	111.1754	1.080	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6840	0.013	2	110.6840	0.000	2	110.6840	0.000	2	111.1754	1.080	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9217	0.126	3	110.9217	0.016	3	110.9217	0.016	3	111.1754	1.080	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5890	0.031	2	111.1360	0.898	3	111.1360	0.898	3	111.1754	1.080	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	112.2300	0.000	1	111.1360	0.898	3	111.1360	0.898	3	111.1754	1.080	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.7647	0.029	3	110.7647	0.001	3	110.7647	0.001	3	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.6082	0.080	4	110.6082	0.006	4	110.6082	0.006	4	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0750	0.072	2	111.0750	0.005	2	110.8245	0.021	13	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6300	0.068	2	110.6300	0.005	2	110.8245	0.021	13	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7788	0.051	4	110.7824	0.002	7	110.8245	0.021	13	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7873	0.048	3	110.7824	0.002	7	110.8245	0.021	13	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9155	0.018	2	110.9155	0.000	2	110.8245	0.021	13	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2680	0.020	2	110.2680	0.000	2	110.2680	0.000	2	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.0675	0.016	2	111.0675	0.000	2	111.0675	0.000	2	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9340	0.009	4	110.9340	0.000	4	110.9340	0.000	4	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]H)	110.8697	0.037	4	110.8697	0.001	4	110.8697	0.001	4	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	110.5735	0.009	2	110.5735	0.000	2	110.5735	0.000	2	110.7788	0.040	34	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7995	0.030	2	110.7995	0.001	2	110.7995	0.001	2	110.7060	0.012	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:2:4:1:	4:	C[5,6]-4:S[5]-3:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]S[5]H)	110.6125	0.013	2	110.6125	0.000	2	110.6125	0.000	2	110.7060	0.012	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(H)2{1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.4760	0.072	2	111.4760	0.005	2	111.4760	0.005	2	111.4760	0.005	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|Br<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.3185	0.009	2	111.2732	0.003	4	111.2732	0.003	4	111.2732	0.003	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.2280	0.008	2	111.2732	0.003	4	111.2732	0.003	4	111.2732	0.003	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.5990	0.000	1	110.5072	0.004	4	110.5072	0.004	4	110.5072	0.004	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.4767	0.023	3	110.5072	0.004	4	110.5072	0.004	4	110.5072	0.004	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]H)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|H<1>,7|C<4>}	H(C[5]C[5,6]C[5]H)	110.6130	0.000	1	110.6130	0.000	1	110.6130	0.000	1	110.6130	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H){7|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3770	0.042	2	111.3770	0.002	2	111.3770	0.002	2	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1310	0.021	4	111.1310	0.000	4	111.1310	0.000	4	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1043	0.031	3	111.1043	0.001	3	111.1043	0.001	3	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.5175	0.021	2	110.5175	0.000	2	110.5175	0.000	2	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7550	0.011	2	110.7188	0.002	4	110.7188	0.002	4	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6825	0.005	2	110.7188	0.002	4	110.7188	0.002	4	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.4970	0.027	2	111.4970	0.001	2	111.4970	0.001	2	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1655	0.013	2	111.1655	0.000	2	111.1655	0.000	2	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	111.4150	0.033	2	111.4150	0.001	2	111.4150	0.001	2	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.6620	0.000	1	111.6620	0.000	1	111.4515	0.029	4	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.4440	0.066	2	111.4440	0.004	2	111.4515	0.029	4	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.2560	0.000	1	111.2560	0.000	1	111.4515	0.029	4	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.4350	0.100	2	111.4350	0.010	2	111.4350	0.010	2	111.1428	0.108	28	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3030	0.013	2	111.3030	0.000	2	111.3030	0.000	2	111.3030	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.5360	0.034	2	110.5360	0.001	2	110.5360	0.001	2	110.7238	0.087	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0615	0.032	2	111.0615	0.001	2	111.0615	0.001	2	110.7238	0.087	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.7238	0.087	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.7238	0.087	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2{1|C<4>,2|C<3>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	111.1560	0.000	1	111.1560	0.000	1	111.1560	0.000	1	111.4107	2.591	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.8185	3.591	2	111.8185	12.898	2	112.1697	4.644	8	111.4107	2.591	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.7140	0.006	2	112.8350	5.224	4	112.1697	4.644	8	111.4107	2.591	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	113.9560	3.263	2	112.8350	5.224	4	112.1697	4.644	8	111.4107	2.591	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1905	0.039	2	111.1905	0.002	2	112.1697	4.644	8	111.4107	2.591	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.6835	0.076	8	110.6835	0.006	8	110.6835	0.006	8	111.4107	2.591	17	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:2:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.3997	0.027	4	110.3997	0.001	4	110.3997	0.001	4	110.3997	0.001	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.4220	0.006	2	111.4220	0.000	2	111.4220	0.000	2	111.3102	0.062	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1985	0.370	2	111.1985	0.137	2	111.1985	0.137	2	111.3102	0.062	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.2332	0.067	10	111.2332	0.005	10	111.2332	0.005	10	111.1587	0.023	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]O[5]O)(H)2{1|C<4>,2|C<3>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	111.1587	0.023	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1555	0.054	2	111.1555	0.003	2	110.9945	0.036	4	111.1587	0.023	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8335	0.012	2	110.8335	0.000	2	110.9945	0.036	4	111.1587	0.023	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]2H)	111.0865	0.035	2	111.0865	0.001	2	111.0865	0.001	2	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6]2H)	110.7250	0.010	2	110.7250	0.000	2	110.7250	0.000	2	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2{1|O<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9985	0.556	4	110.9985	0.309	4	110.9985	0.309	4	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1720	0.011	2	111.1720	0.000	2	111.3610	0.048	4	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.5500	0.049	2	111.5500	0.002	2	111.3610	0.048	4	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.8888	0.675	4	110.8888	0.455	4	110.8340	0.213	8	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6880	0.000	1	110.6880	0.000	1	110.8340	0.213	8	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9305	0.028	2	110.9305	0.001	2	110.8340	0.213	8	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(H)2{1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5680	0.000	1	110.5680	0.000	1	110.8340	0.213	8	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	112.7605	3.569	2	112.7605	12.736	2	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1825	0.008	2	111.1825	0.000	2	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3552	0.057	4	111.3552	0.003	4	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.7065	1.473	2	111.7065	2.169	2	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	109.3200	1.580	2	109.3200	2.495	2	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	112.2470	1.400	2	112.2470	1.960	2	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7460	0.058	2	111.0493	0.124	4	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3525	0.030	2	111.0493	0.124	4	111.3362	2.014	18	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0305	0.035	2	111.0305	0.001	2	111.0305	0.001	2	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[5]C[5,6]N[5,6]H)	111.0585	0.030	2	111.0585	0.001	2	111.0585	0.001	2	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	110.9040	0.018	2	110.9040	0.000	2	110.9040	0.000	2	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.6350	0.025	2	111.6350	0.001	2	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.9017	0.033	3	110.9017	0.001	3	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.9670	0.008	2	111.2881	0.086	8	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.5800	0.024	2	111.2881	0.086	8	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.3028	0.272	4	111.2881	0.086	8	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	112.0220	0.011	2	111.5134	1.310	16	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	112.6350	1.908	4	111.5134	1.310	16	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.9795	0.137	6	111.5134	1.310	16	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.8280	0.024	2	111.5134	1.310	16	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.0485	0.013	2	111.5134	1.310	16	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.9170	1.566	2	110.9190	0.614	5	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.9203	0.059	3	110.9190	0.614	5	111.3261	0.753	34	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.0460	0.301	4	111.0460	0.091	4	111.0460	0.091	4	111.2086	0.792	83	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0865	0.011	2	111.0865	0.000	2	111.2422	0.033	4	111.3495	1.539	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3980	0.033	2	111.3980	0.001	2	111.2422	0.033	4	111.3495	1.539	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.9458	2.464	4	110.9458	6.070	4	111.3134	2.905	12	111.3495	1.539	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]H)(H)2	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.9648	1.929	4	111.9648	3.721	4	111.3134	2.905	12	111.3495	1.539	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O)(H)2	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0298	0.097	4	111.0298	0.009	4	111.3134	2.905	12	111.3495	1.539	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.4930	0.117	6	111.4930	0.014	6	111.4930	0.014	6	111.3495	1.539	22	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.7742	0.047	4	110.7742	0.002	4	110.7742	0.002	4	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0355	0.022	2	111.0355	0.000	2	111.0145	0.001	4	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9935	0.022	2	110.9935	0.000	2	111.0145	0.001	4	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6510	0.212	4	110.6510	0.045	4	110.6510	0.045	4	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.9375	0.071	2	110.9375	0.005	2	110.9375	0.005	2	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.0600	0.008	2	111.0600	0.000	2	111.0600	0.000	2	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.8760	0.040	2	110.8760	0.002	2	110.8760	0.002	2	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.1067	0.391	6	111.1067	0.153	6	111.1067	0.153	6	110.9227	0.069	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2{1|Br<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	H(C[5]C[5,6]2H)	111.2425	0.006	2	111.2425	0.000	2	111.2425	0.000	2	112.1363	15.021	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(H)2	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	115.3900	5.820	4	115.3900	33.878	4	115.3900	33.878	4	112.1363	15.021	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7675	0.021	2	110.7675	0.000	2	110.5324	2.779	7	112.1363	15.021	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.3110	3.473	2	109.3110	12.064	2	110.5324	2.779	7	112.1363	15.021	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1900	0.328	3	111.1900	0.108	3	110.5324	2.779	7	112.1363	15.021	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:B[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(B[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]B[5]H)	C[5](C[5,6]C[5,6]C[6]H)(B[5]O[5]O)(H)2{5|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]B[5]H)	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:B[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H)	H(C[5]C[5,6]B[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2{5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]B[5]H)	111.9223	0.446	4	111.9223	0.199	4	111.9223	0.199	4	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.3595	0.014	4	111.3595	0.000	4	111.3595	0.000	4	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5a]C[5,6]H)	111.9280	0.021	2	111.9280	0.000	2	112.0136	0.022	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	H(C[5]C[5,5a]C[5,6]H)	111.9725	0.058	6	112.0350	0.025	8	112.0136	0.022	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5a]C[5,6]H)	112.2225	0.260	2	112.0350	0.025	8	112.0136	0.022	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]2H)	111.1275	0.008	2	111.1275	0.000	2	111.1275	0.000	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	111.8085	0.247	2	111.8085	0.061	2	111.8085	0.061	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.9305	0.076	2	110.9305	0.006	2	110.9305	0.006	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.2045	0.075	4	110.9902	0.038	31	110.9994	0.034	35	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9585	0.187	27	110.9902	0.038	31	110.9994	0.034	35	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0845	0.011	2	111.0845	0.000	2	110.9994	0.034	35	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0560	0.010	2	111.0560	0.000	2	110.9994	0.034	35	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.7465	0.040	2	111.1173	0.094	6	111.4280	0.218	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1870	0.018	2	111.1173	0.094	6	111.4280	0.218	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.4185	0.063	2	111.1173	0.094	6	111.4280	0.218	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.8015	0.008	2	111.8940	0.013	4	111.4280	0.218	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,2|N<2>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.9865	0.077	2	111.8940	0.013	4	111.4280	0.218	10	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]Cl)	107.6550	0.000	1	107.6550	0.000	1	107.6110	0.004	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]Cl)	107.5670	0.000	1	107.5670	0.000	1	107.6110	0.004	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.7540	0.037	2	110.7540	0.001	2	110.7540	0.001	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	113.4955	0.681	2	113.4955	0.464	2	113.4955	0.464	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0990	0.007	2	111.0990	0.000	2	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0180	0.000	1	111.0180	0.000	1	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8800	0.016	2	110.8918	0.004	9	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8951	0.072	7	110.8918	0.004	9	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.3020	0.042	2	111.3020	0.002	2	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1150	0.027	2	111.1150	0.001	2	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9510	0.044	4	110.9510	0.002	4	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3025	0.019	2	111.3025	0.000	2	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3410	0.047	4	111.3410	0.002	4	111.0711	0.036	26	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7980	0.064	3	110.7980	0.004	3	110.7980	0.004	3	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1685	0.035	2	111.1685	0.001	2	110.8545	0.020	15	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8083	0.049	9	110.8083	0.002	9	110.8545	0.020	15	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8015	0.096	4	110.8015	0.009	4	110.8545	0.020	15	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.7215	2.077	2	111.7215	4.313	2	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	114.0455	1.484	2	114.0455	2.203	2	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9500	0.045	2	110.9500	0.002	2	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9350	0.018	2	110.9350	0.000	2	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8485	0.030	2	111.9021	1.905	10	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3945	0.006	2	111.9021	1.905	10	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	114.3770	1.133	2	111.9021	1.905	10	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4453	0.111	4	111.9021	1.905	10	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5815	3.082	2	110.5815	9.500	2	111.7744	2.593	20	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3085	0.012	2	110.3085	0.000	2	110.3085	0.000	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7925	0.026	4	110.7925	0.001	4	110.6528	0.047	6	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.3735	0.033	2	110.3735	0.001	2	110.6528	0.047	6	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	114.1920	5.759	2	114.1920	33.162	2	111.6924	3.106	34	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1718	0.316	4	111.1718	0.100	4	111.6924	3.106	34	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.6075	0.008	2	111.6042	2.202	26	111.6924	3.106	34	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9006	0.304	10	111.6042	2.202	26	111.6924	3.106	34	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	113.3748	1.535	8	111.6042	2.202	26	111.6924	3.106	34	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7482	0.514	6	111.6042	2.202	26	111.6924	3.106	34	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.3810	0.007	2	111.3810	0.000	2	111.6924	3.106	34	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3040	0.018	2	111.5905	2.408	4	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	112.8770	0.776	2	111.5905	2.408	4	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9100	0.007	2	110.9100	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.2810	0.122	2	110.2810	0.015	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.6730	0.008	2	111.6730	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.4365	0.022	2	110.4365	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4680	0.049	2	111.4680	0.002	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3240	0.048	4	111.1842	0.048	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9045	0.018	2	111.1842	0.048	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.5210	0.018	2	111.5210	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1525	0.045	2	111.4453	0.305	4	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.7380	0.755	2	111.4453	0.305	4	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|Br<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.6637	0.024	3	111.6637	0.001	3	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2100	0.051	3	111.2100	0.003	3	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5975	0.016	2	112.1028	12.763	16	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5045	0.037	2	112.1028	12.763	16	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6693	0.320	4	112.1028	12.763	16	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8010	0.013	2	112.1028	12.763	16	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	120.5890	0.735	2	112.1028	12.763	16	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4958	2.819	4	112.1028	12.763	16	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7000	0.020	3	110.7000	0.000	3	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9695	0.015	2	110.9695	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.6085	0.018	2	111.6085	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.3895	0.960	2	111.3895	0.921	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|Os<6>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3010	0.231	2	111.5462	1.453	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0825	0.015	2	111.5462	1.453	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	112.2550	2.379	2	111.5462	1.453	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|F<1>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	H(C[5]C[5,6]C[5]H)	111.0095	0.047	2	111.0095	0.002	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.5555	0.009	2	110.5555	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.9228	0.020	4	110.9228	0.000	4	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9855	0.995	6	110.9855	0.990	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6470	0.006	2	110.7443	0.008	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.7930	0.065	4	110.7443	0.008	6	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9630	0.006	2	110.9630	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8125	0.009	2	110.8125	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1145	0.009	2	111.1145	0.000	2	111.3077	2.676	89	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.4383	0.242	3	111.4383	0.059	3	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.2145	0.163	10	111.2145	0.027	10	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.5020	0.023	2	111.5020	0.001	2	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.2115	0.064	2	111.2115	0.004	2	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	114.8985	2.333	2	114.8985	5.442	2	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.5625	0.028	2	111.5625	0.001	2	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.4035	0.037	2	111.3760	0.003	3	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3210	0.000	1	111.3760	0.003	3	111.6224	1.287	24	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Br<1>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.6230	0.091	2	111.4022	0.036	45	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.6006	0.025	10	111.4022	0.036	45	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4880	0.078	2	111.4022	0.036	45	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.3577	0.170	7	111.4022	0.036	45	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.3421	0.127	16	111.4022	0.036	45	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2368	0.230	8	111.4022	0.036	45	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	109.0495	1.501	2	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	116.1230	2.362	2	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.9905	0.039	2	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.7227	0.051	3	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.7055	0.278	18	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|I<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3110	0.057	4	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.6650	0.058	4	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.6530	0.069	2	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.7225	0.054	2	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.6810	0.079	4	111.7575	1.500	43	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5730	0.016	2	110.5730	0.000	2	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1930	0.000	1	111.1930	0.000	1	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4062	0.102	4	111.1529	0.041	12	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0010	0.071	2	111.1529	0.041	12	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0100	0.079	4	111.1529	0.041	12	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0840	0.011	2	111.1529	0.041	12	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9270	0.011	2	110.9270	0.000	2	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.5831	0.305	8	111.5831	0.093	8	111.4988	0.652	113	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5,6]H)	111.3690	0.035	2	111.3690	0.001	2	111.3690	0.001	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.7950	0.041	2	110.7950	0.002	2	110.7950	0.002	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.0965	0.035	2	110.0965	0.001	2	110.0965	0.001	2	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,4|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]H)	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.3298	0.070	9	111.3298	0.005	9	111.3298	0.005	9	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6]N[5]H)	111.6655	0.403	4	111.6655	0.162	4	111.6655	0.162	4	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.5370	0.059	2	110.5370	0.004	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|I<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.2395	0.025	2	111.2395	0.001	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.9575	0.019	2	110.9575	0.000	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]N[5]H)	111.2870	0.011	2	111.2870	0.000	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.5740	0.006	2	111.1916	0.123	7	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.2550	0.000	1	111.1916	0.123	7	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]H)	110.9845	0.299	4	111.1916	0.123	7	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.2870	0.000	1	111.2870	0.000	1	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3590	0.024	2	111.3590	0.001	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.1405	0.025	2	111.1405	0.001	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.2585	0.036	2	111.2585	0.001	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.2100	0.055	2	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.3568	0.262	4	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	110.7745	0.006	2	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.5975	0.047	2	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.3503	0.062	4	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.8280	1.645	3	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.2130	0.040	4	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	H(C[5]C[5,6]N[5]H)	111.2373	0.145	4	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.1835	0.006	2	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.1505	0.053	2	111.3084	0.265	29	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.2398	0.250	6	111.2398	0.062	6	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.2040	0.244	4	111.3988	0.062	14	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,6]N[5]H)	111.4767	0.215	10	111.3988	0.062	14	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]N[5]H)	111.1215	0.045	2	111.1215	0.002	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.2270	0.023	2	111.2270	0.001	2	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]H)	111.0115	0.145	13	111.0115	0.021	13	111.2273	0.137	88	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]H)	111.2021	0.095	12	111.2021	0.009	12	111.2021	0.009	12	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	H(C[5]C[5,6]N[5]H)	110.8060	0.045	2	110.7100	0.013	4	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,6]N[5]H)	110.6140	0.020	2	110.7100	0.013	4	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6]N[5]H)	113.5985	2.673	6	113.5985	7.147	6	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]N[5]H)	110.9100	0.062	2	110.9100	0.004	2	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]N[5]H)	111.5940	0.292	4	111.5940	0.085	4	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	111.3955	0.005	2	111.3955	0.000	2	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	110.9260	0.069	2	110.9260	0.005	2	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.3757	0.009	3	111.3757	0.000	3	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	111.4140	0.051	2	111.4140	0.003	2	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.2025	0.008	2	111.2025	0.000	2	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	111.2320	0.013	2	111.2320	0.000	2	111.6929	2.346	29	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	111.1663	0.101	16	111.1663	0.010	16	111.1663	0.010	16	111.3533	1.149	573	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8330	0.000	1	110.8330	0.000	1	111.3207	1.064	15	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.4348	0.352	12	111.4348	0.124	12	111.3207	1.064	15	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8800	3.571	2	110.8800	12.751	2	111.3207	1.064	15	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7210	0.051	2	110.7210	0.003	2	110.7210	0.003	2	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3645	0.047	2	111.3645	0.002	2	111.3645	0.002	2	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.2870	0.008	2	111.2870	0.000	2	111.2870	0.000	2	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.7350	0.018	2	111.7350	0.000	2	111.7350	0.000	2	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.3165	0.697	24	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1925	0.008	2	111.1925	0.000	2	110.8937	0.068	6	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8760	0.018	2	110.7442	0.023	4	110.8937	0.068	6	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6125	0.012	2	110.7442	0.023	4	110.8937	0.068	6	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6135	0.033	2	110.6135	0.001	2	110.6135	0.001	2	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.8225	0.042	2	111.8225	0.002	2	111.9126	2.445	8	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0640	0.000	2	111.0640	0.000	2	111.9126	2.445	8	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	113.8485	2.484	2	113.8485	6.171	2	111.9126	2.445	8	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9155	0.026	2	110.9155	0.001	2	111.9126	2.445	8	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|Br<1>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	109.6370	0.008	2	109.6370	0.000	2	111.3725	9.680	6	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7715	0.062	2	110.7715	0.004	2	111.3725	9.680	6	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	113.7090	5.544	2	113.7090	30.733	2	111.3725	9.680	6	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1450	0.030	2	111.1450	0.001	2	111.1450	0.001	2	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6]N[5]H)	111.2560	0.011	2	111.2560	0.000	2	111.2560	0.000	2	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO){1|C<4>,6|C<3>}	H(C[5]C[5,6]N[5]H)	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	H(C[5]C[5,6]N[5]H)	111.1727	0.403	6	111.1727	0.163	6	111.1727	0.163	6	111.3024	2.246	33	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.4260	0.076	2	111.4260	0.006	2	111.4260	0.006	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(Br)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]Br)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(Br)(H){1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]Br)	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.6720	2.428	2	111.6720	5.896	2	111.6720	5.896	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5]O)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.9700	2.085	2	111.9700	4.345	2	111.9700	4.345	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8365	0.013	2	110.8365	0.000	2	110.8365	0.000	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.1660	0.007	2	110.1660	0.000	2	110.1660	0.000	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9495	0.011	2	110.9495	0.000	2	110.9495	0.000	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]O)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.5585	4.345	2	110.5585	18.881	2	112.1827	5.559	6	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	112.9947	0.578	4	112.9947	0.334	4	112.1827	5.559	6	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6386	0.099	5	110.6386	0.010	5	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9233	0.203	6	110.9233	0.041	6	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6980	0.000	1	110.6980	0.000	1	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5610	0.004	2	110.9403	0.192	4	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.3195	0.016	2	110.9403	0.192	4	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0655	0.033	2	111.0655	0.001	2	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0788	0.079	5	111.1202	0.014	16	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2015	0.091	8	111.1202	0.014	16	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9723	0.060	3	111.1202	0.014	16	110.9778	0.062	34	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2415	0.015	2	111.2415	0.000	2	111.2415	0.000	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6110	0.055	3	110.6110	0.003	3	110.9727	0.942	15	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8895	0.006	2	110.8895	0.000	2	110.9727	0.942	15	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.3100	1.243	8	111.3100	1.546	8	110.9727	0.942	15	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.2495	0.029	2	110.2495	0.001	2	110.9727	0.942	15	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4820	0.000	1	111.4957	0.001	7	111.2186	0.066	17	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4980	0.037	6	111.4957	0.001	7	111.2186	0.066	17	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1790	0.018	2	111.1790	0.000	2	111.2186	0.066	17	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0170	0.109	6	111.0170	0.012	6	111.2186	0.066	17	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8930	0.007	2	110.8930	0.000	2	111.2186	0.066	17	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC){3|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.3855	0.015	2	110.3855	0.000	2	110.3855	0.000	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6115	0.011	2	110.6115	0.000	2	110.5227	0.007	6	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.4783	0.066	4	110.4783	0.004	4	110.5227	0.007	6	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3010	0.027	2	110.3010	0.001	2	110.3010	0.001	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	110.3825	0.013	2	110.3825	0.000	2	110.5270	0.029	4	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,4|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	110.6715	0.063	2	110.6715	0.004	2	110.5270	0.029	4	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2{1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.5715	0.030	2	110.5715	0.001	2	110.5715	0.001	2	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.0590	0.028	2	111.0590	0.001	2	110.6505	0.082	8	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	110.5143	0.159	6	110.5143	0.025	6	110.6505	0.082	8	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	111.4472	0.106	4	111.4472	0.011	4	111.4472	0.011	4	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]N[5]H)	111.4760	0.755	6	111.4760	0.570	6	111.1472	0.254	18	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.9365	0.028	2	110.7943	0.027	4	111.1472	0.254	18	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{3|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	110.6520	0.024	2	110.7943	0.027	4	111.1472	0.254	18	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.1662	0.027	6	111.1662	0.001	6	111.1472	0.254	18	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]N[5]H)	110.8095	0.013	2	110.8095	0.000	2	111.1472	0.254	18	111.0210	0.663	133	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:3:4:1:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|C<4>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.7500	0.000	1	109.2750	0.330	3	109.2750	0.330	3	109.2750	0.330	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:3:4:1:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.0375	0.566	2	109.2750	0.330	3	109.2750	0.330	3	109.2750	0.330	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:3:4:2:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.0260	0.078	2	108.0260	0.006	2	108.0260	0.006	2	108.0260	0.006	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:3:4:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,6]O)	108.9177	0.037	3	108.9177	0.001	3	108.9177	0.001	3	108.9177	0.001	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:3:4:4:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|C<4>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]O)	108.5860	0.000	1	108.6145	0.002	2	108.6145	0.002	2	108.6145	0.002	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:3:4:4:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]O)	108.6430	0.000	1	108.6145	0.002	2	108.6145	0.002	2	108.6145	0.002	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:3:1:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H)	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]N[5]O)	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:3:4:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	108.6620	0.674	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H){4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	108.6620	0.674	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.0270	0.182	2	108.0270	0.033	2	108.0270	0.033	2	108.6620	0.674	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:2:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN){1|S<4>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.0100	0.000	1	109.0100	0.000	1	108.6415	0.074	4	108.6415	0.074	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:2:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.4990	0.000	1	108.5187	0.020	3	108.6415	0.074	4	108.6415	0.074	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:2:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.5285	0.200	2	108.5187	0.020	3	108.6415	0.074	4	108.6415	0.074	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO){1|S<4>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.1120	0.000	1	109.1120	0.000	1	108.9330	0.458	3	108.9330	0.458	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.1850	0.000	1	108.8435	0.867	2	108.9330	0.458	3	108.9330	0.458	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.5020	0.000	1	108.8435	0.867	2	108.9330	0.458	3	108.9330	0.458	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]O)	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	109.2200	1.096	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H){1|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	109.2200	1.096	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6]N[5]C)	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.2200	1.096	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:2:2:3:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:O[5,6]-2:N[6]-2:N-3:	C[5]-4:	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H)	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS){1|C<3>,1|S<2>,3|C<4>}	H(C[5]C[5,6]C[5a]O[5])	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.5242	0.210	10	109.5242	0.044	10	109.5242	0.044	10	109.5242	0.044	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]O)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.9000	0.147	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.9000	0.147	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.8220	0.000	1	108.8220	0.000	1	109.1425	0.205	2	108.9000	0.147	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.4630	0.000	1	109.4630	0.000	1	109.1425	0.205	2	108.9000	0.147	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]O)	108.9845	0.169	2	108.9845	0.029	2	108.9845	0.029	2	108.9845	0.029	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.2127	0.108	4	108.2127	0.012	4	108.2127	0.012	4	108.2127	0.012	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5a]O[5])	108.6960	0.000	1	108.6960	0.000	1	108.4994	0.291	9	108.0899	0.607	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5a]O[5])	108.3566	0.500	7	108.4749	0.326	8	108.4994	0.291	9	108.0899	0.607	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5a]O[5])	109.3030	0.000	1	108.4749	0.326	8	108.4994	0.291	9	108.0899	0.607	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:3:4:4:	4:	C[5,6]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	H(C[5]C[5,6]C[6a]S[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]S[5])	107.1685	0.136	4	107.1685	0.018	4	107.1685	0.018	4	108.0899	0.607	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:N-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]N)	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	111.1236	4.351	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]O)	111.5103	3.135	3	111.5103	9.830	3	111.5103	9.830	3	111.1236	4.351	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	111.1236	4.351	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	H(C[5]C[5,6]N[6a]O[5])	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	H(C[5]C[5,6]N[6a]O[5])	110.4260	0.000	2	110.4260	0.000	2	110.1917	0.165	3	111.1236	4.351	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H)	H(C[5]C[5,6]N[6a]O[5])	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6]N[6a]O[5])	109.7230	0.000	1	109.7230	0.000	1	110.1917	0.165	3	111.1236	4.351	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:1:	4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	H(C[5]C[5,6]N[6a]O[5])	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	H(C[5]C[5,6]N[6a]O[5])	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	111.1236	4.351	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-3:C-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.4885	0.385	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:2:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]O)	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.4885	0.385	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]O)	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5a]O[5])	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.5790	0.099	2	108.5790	0.010	2	108.6068	0.097	4	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.6345	0.528	2	108.6345	0.279	2	108.6068	0.097	4	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,6]N[5]O)	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]O)	110.7515	0.317	2	110.7515	0.101	2	110.7515	0.101	2	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	H(C[5]C[5,6]N[6a]O[5])	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6]N[6a]O[5])	110.3230	0.000	1	110.3230	0.000	1	109.7935	0.561	2	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	H(C[5]C[5,6]N[6a]O[5])	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6]N[6a]O[5])	109.2640	0.000	1	109.2640	0.000	1	109.7935	0.561	2	109.5354	1.666	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO){6|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	108.4810	0.053	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.4220	0.000	1	108.4220	0.000	1	108.5790	0.049	2	108.4810	0.053	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.7360	0.000	1	108.7360	0.000	1	108.5790	0.049	2	108.4810	0.053	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	109.0780	5.288	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	109.0780	5.288	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]2O)	111.1740	0.000	1	111.1740	0.000	1	111.0445	0.034	2	110.4221	0.699	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]2O)	110.9150	0.000	1	110.9150	0.000	1	111.0445	0.034	2	110.4221	0.699	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	110.4221	0.699	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	110.4221	0.699	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H){5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.0955	1.573	2	110.0955	2.475	2	110.0955	2.475	2	110.4221	0.699	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]O[5])	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.4221	0.699	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.9145	0.392	2	108.9145	0.154	2	108.9145	0.154	2	108.9317	0.053	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.8265	0.268	2	108.9386	0.040	5	108.9386	0.040	5	108.9317	0.053	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.1920	0.000	1	108.9386	0.040	5	108.9386	0.040	5	108.9317	0.053	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.9240	0.003	2	108.9386	0.040	5	108.9386	0.040	5	108.9317	0.053	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]O)	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	108.4429	2.636	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.9450	0.303	2	109.1357	0.155	3	108.1450	4.276	5	108.4429	2.636	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.5170	0.000	1	109.1357	0.155	3	108.1450	4.276	5	108.4429	2.636	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	104.4870	0.000	1	106.6590	9.435	2	108.1450	4.276	5	108.4429	2.636	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.8310	0.000	1	106.6590	9.435	2	108.1450	4.276	5	108.4429	2.636	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.0220	0.000	1	109.0990	0.012	2	109.0990	0.012	2	108.4429	2.636	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.1760	0.000	1	109.0990	0.012	2	109.0990	0.012	2	108.4429	2.636	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	108.5748	2.330	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3){1|O<2>,2|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.7130	0.163	2	110.7130	0.026	2	110.7130	0.026	2	108.5748	2.330	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	107.1312	0.507	4	107.1312	0.257	4	107.4544	0.715	5	108.5748	2.330	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	108.7470	0.000	1	108.7470	0.000	1	107.4544	0.715	5	108.5748	2.330	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	108.5748	2.330	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	H(C[5]C[5,6]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]N[5]O)	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	108.5748	2.330	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	2:3:2:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H){1|H<1>,6|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	H(C[5]C[5,6]N[5]C)	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H){4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	110.8930	0.000	1	110.8930	0.000	1	109.7865	2.449	2	109.7865	2.449	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.6800	0.000	1	108.6800	0.000	1	109.7865	2.449	2	109.7865	2.449	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H){3|H<1>,8|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	106.5815	0.224	2	106.5815	0.050	2	106.5815	0.050	2	106.9783	0.498	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:3:4:3:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,6]N[5]C)	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	106.9783	0.498	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:3:4:4:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH)	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]N)	108.3930	0.110	2	108.3930	0.012	2	108.3930	0.012	2	108.3930	0.012	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]C)(CCO)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]C)(CCO)(H){3|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	H(C[5]C[5,6]C[5]C)	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	108.9510	1.166	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.3355	0.244	2	108.3355	0.060	2	108.3355	0.060	2	108.9510	1.166	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C-3:H-1:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C)	106.2570	0.106	2	106.2570	0.011	2	106.2570	0.011	2	107.2303	2.848	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	107.2303	2.848	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6a]-3:N-3:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[5]C[5,6a]C[5,6]N)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]N)	107.9055	0.548	2	107.9055	0.300	2	107.9055	0.300	2	109.5020	7.797	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3){2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	109.5020	7.797	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0025	0.556	4	108.0025	0.310	4	108.0025	0.310	4	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.8610	0.076	2	109.8610	0.006	2	109.2838	0.397	9	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.1189	0.621	7	109.1189	0.386	7	109.2838	0.397	9	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	H(C[5]C[5,6]N[5,5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]N[5,5]C)	109.0343	0.058	3	109.0343	0.003	3	109.1407	0.048	4	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	H(C[5]C[5,6]N[5,5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]N[5,5]C)	109.4600	0.000	1	109.4600	0.000	1	109.1407	0.048	4	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]C)	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	109.0272	0.536	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]C)	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	109.2353	1.506	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	3:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.6545	0.993	2	108.6545	0.987	2	108.6545	0.987	2	109.2353	1.506	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:2:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.1980	0.088	2	110.1980	0.008	2	110.1980	0.008	2	110.1980	0.008	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1770	0.000	1	106.1770	0.000	1	106.1770	0.000	1	107.3815	2.902	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:3:2:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5])	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5]){3|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	107.3815	2.902	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2{2|C<4>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	108.8626	0.812	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	108.8626	0.812	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2{1|Br<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0750	0.881	2	108.0750	0.776	2	108.0750	0.776	2	108.8626	0.812	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:3:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.8626	0.812	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH){2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(COO)(H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(COO)(H){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.7644	1.749	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.7644	1.749	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	112.2660	0.000	1	111.2445	2.087	2	111.2445	2.087	2	109.7644	1.749	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	110.2230	0.000	1	111.2445	2.087	2	111.2445	2.087	2	109.7644	1.749	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	H(C[5]C[5,6]N[5,5]C[6a])	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5,5]C[6a])	108.4385	0.409	2	108.4385	0.168	2	108.4385	0.168	2	109.7644	1.749	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.7644	1.749	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.0440	1.727	2	109.0440	2.982	2	109.3955	0.776	13	109.3955	0.776	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	108.9707	0.219	3	108.9707	0.048	3	109.3955	0.776	13	109.3955	0.776	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.5010	0.286	2	109.3018	0.427	6	109.3955	0.776	13	109.3955	0.776	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.1190	0.000	1	109.3018	0.427	6	109.3955	0.776	13	109.3955	0.776	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.5633	0.430	3	109.3018	0.427	6	109.3955	0.776	13	109.3955	0.776	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.6650	0.192	2	110.6650	0.037	2	109.3955	0.776	13	109.3955	0.776	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.7455	0.049	2	106.7455	0.002	2	106.7455	0.002	2	107.6140	2.346	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	107.6140	2.346	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	106.1680	0.000	1	106.1680	0.000	1	107.3875	2.974	2	107.6140	2.346	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){4|C<3>,6|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.6070	0.000	1	108.6070	0.000	1	107.3875	2.974	2	107.6140	2.346	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]C)(CCO)(H)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]C)(CCO)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.7192	0.084	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]N[5]C)	109.5220	0.000	1	109.5220	0.000	1	109.7615	0.099	4	109.7192	0.084	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6]N[5]C)	109.7015	0.323	2	109.7015	0.104	2	109.7615	0.099	4	109.7192	0.084	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:3:4:4:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H){1|H<1>,1|N<3>,2|O<1>,2|O<2>,4|C<3>}	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	H(C[5]C[5,6]N[5]C)	110.1210	0.000	1	110.1210	0.000	1	109.7615	0.099	4	109.7192	0.084	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.4725	0.692	2	108.4725	0.479	2	108.4725	0.479	2	108.8377	0.508	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]N)	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	108.8377	0.508	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:2:2:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H)	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]N)	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	108.8377	0.508	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	105.0000	0.000	1	105.0000	0.000	1	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	112.5550	0.000	1	112.5550	0.000	1	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]N[5])	108.9480	0.000	1	108.9480	0.000	1	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.5990	0.000	1	109.5990	0.000	1	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.0960	0.000	1	108.3085	0.090	2	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.5210	0.000	1	108.3085	0.090	2	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]N[5])	106.6497	0.110	3	106.6497	0.012	3	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.5000	0.000	1	109.7290	0.091	3	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.8435	0.322	2	109.7290	0.091	3	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.8540	0.000	1	109.8540	0.000	1	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.9290	0.000	1	109.9290	0.000	1	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	110.7440	0.000	1	110.7440	0.000	1	108.8255	3.757	15	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	108.7059	3.105	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	109.2938	0.795	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.8280	0.286	3	109.8280	0.082	3	109.6595	0.168	4	109.2938	0.795	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1540	0.000	1	109.1540	0.000	1	109.6595	0.168	4	109.2938	0.795	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|C<4>,1|N<3>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.4100	0.000	1	109.4100	0.000	1	109.5350	0.031	2	108.9514	0.473	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O){9|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.6600	0.000	1	109.6600	0.000	1	109.5350	0.031	2	108.9514	0.473	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.2390	0.000	1	109.2390	0.000	1	108.6610	0.668	2	108.9514	0.473	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0830	0.000	1	108.0830	0.000	1	108.6610	0.668	2	108.9514	0.473	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2{3|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	108.9514	0.473	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	108.1126	2.417	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	108.1126	2.417	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.1780	0.631	3	108.1780	0.398	3	108.1780	0.398	3	108.1126	2.417	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]2C[6a])	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.6060	0.000	1	109.6060	0.000	1	109.1066	0.151	5	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.6180	0.000	1	108.6180	0.000	1	109.1066	0.151	5	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.3030	0.000	1	109.3030	0.000	1	109.1066	0.151	5	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.1700	0.000	1	109.1700	0.000	1	109.1066	0.151	5	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(COO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(COO)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.8360	0.000	1	108.8360	0.000	1	109.1066	0.151	5	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H){1|Cl<1>,1|C<3>,1|S<2>,1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H)	H(C[5]C[5,6]C[5a]N[5])	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H){1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5a]N[5])	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.3060	0.000	1	107.3060	0.000	1	108.5199	0.539	8	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.6050	0.000	1	108.6050	0.000	1	108.5199	0.539	8	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.4790	0.171	2	108.4790	0.029	2	108.5199	0.539	8	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Cl<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.4425	0.544	2	109.4425	0.296	2	108.5199	0.539	8	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2025	0.247	2	108.2025	0.061	2	108.5199	0.539	8	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.2480	0.000	1	109.2480	0.000	1	108.8325	0.345	2	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.4170	0.000	1	108.4170	0.000	1	108.8325	0.345	2	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]C)	107.9860	0.000	1	107.5975	0.302	2	107.5975	0.302	2	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,6]N[5]C)	107.2090	0.000	1	107.5975	0.302	2	107.5975	0.302	2	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]N[5]C)	110.2230	0.000	1	110.2230	0.000	1	108.8787	2.084	6	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5,6]N[5]C)	109.2670	0.000	1	109.2670	0.000	1	108.8787	2.084	6	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]N[5]C)	107.6803	0.586	3	107.6803	0.343	3	108.8787	2.084	6	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	110.7410	0.000	1	110.7410	0.000	1	108.8787	2.084	6	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]N)	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	108.7418	0.817	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H)	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]N)	107.3930	0.000	2	107.3930	0.000	2	107.3930	0.000	2	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.1260	0.000	1	107.1260	0.000	1	108.2657	1.236	3	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO){1|S<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.8355	0.723	2	108.8355	0.523	2	108.2657	1.236	3	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.4730	0.000	1	107.4730	0.000	1	107.8797	0.223	3	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,8|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.7690	0.000	1	107.7690	0.000	1	107.8797	0.223	3	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3970	0.000	1	108.3970	0.000	1	107.8797	0.223	3	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3790	0.000	1	108.7375	0.257	2	108.7375	0.257	2	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.0960	0.000	1	108.7375	0.257	2	108.7375	0.257	2	108.0697	0.578	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]C)	109.7970	1.158	2	109.7970	1.342	2	109.7970	1.342	2	107.0182	3.379	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	107.0182	3.379	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.7670	0.042	2	106.7073	0.012	3	106.7073	0.012	3	107.0182	3.379	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5880	0.000	1	106.7073	0.012	3	106.7073	0.012	3	107.0182	3.379	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<2>,1|N<3>,3|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]N[5])	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	107.0182	3.379	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5]N)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]N)	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	107.0182	3.379	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:3:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5]P)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]P)	104.5710	0.013	2	104.5710	0.000	2	104.5710	0.000	2	107.0182	3.379	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H)	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H){2|C<3>}	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H){4|C<3>}	H(C[5]C[5,6]C[5]C)	111.0270	0.296	2	111.0270	0.087	2	111.0270	0.087	2	111.0270	0.087	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.6320	0.000	2	108.6320	0.000	2	108.6320	0.000	2	108.6320	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:3:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	110.2740	0.000	1	110.1255	0.044	2	109.9943	0.074	3	109.9943	0.074	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.9770	0.000	1	110.1255	0.044	2	109.9943	0.074	3	109.9943	0.074	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.7320	0.000	1	109.7320	0.000	1	109.9943	0.074	3	109.9943	0.074	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:3:2:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.4930	0.000	1	104.4930	0.000	1	104.4930	0.000	1	104.4930	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]C)	109.0410	1.492	4	109.0410	2.225	4	109.0410	2.225	4	109.0410	2.225	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	105.5420	0.000	1	105.5420	0.000	1	105.5420	0.000	1	107.2580	5.889	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3){1|O<2>,3|H<1>,3|O<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	107.2580	5.889	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.2890	0.000	1	107.4200	1.510	2	107.4200	1.510	2	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	106.5510	0.000	1	107.4200	1.510	2	107.4200	1.510	2	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.3540	0.342	2	108.3540	0.117	2	108.3540	0.117	2	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.0610	0.000	1	107.0610	0.000	1	107.0610	0.000	1	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.2197	0.430	3	109.4817	0.264	6	109.4817	0.264	6	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,6]N[5]C)	109.7437	0.520	3	109.4817	0.264	6	109.4817	0.264	6	108.5044	1.288	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:2:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C)	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	109.2233	0.051	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]C)	109.1285	0.221	2	109.1285	0.049	2	109.1285	0.049	2	109.2233	0.051	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:N[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|Al<5>,1|C<4>,1|O<3>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]C)	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	103.8160	0.000	1	103.8160	0.000	1	107.2150	23.106	2	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	110.6140	0.000	1	110.6140	0.000	1	107.2150	23.106	2	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5a]C[5])	102.1060	0.000	1	104.9867	6.230	3	106.2028	2.254	10	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	106.4270	0.109	2	104.9867	6.230	3	106.2028	2.254	10	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	106.2480	0.000	1	106.2480	0.000	1	106.2028	2.254	10	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.4610	0.000	1	107.4610	0.000	1	106.2028	2.254	10	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.0150	0.000	1	106.6718	0.177	5	106.2028	2.254	10	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5a]C[5])	106.5860	0.433	4	106.6718	0.177	5	106.2028	2.254	10	106.5027	3.982	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:2:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,6]N[5]C)	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5735	0.086	2	104.5735	0.007	2	105.4043	2.075	3	105.9532	2.588	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<3>,3|C<3>,3|O<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.0660	0.000	1	107.0660	0.000	1	105.4043	2.075	3	105.9532	2.588	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	105.9532	2.588	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.3995	0.252	2	109.0418	0.280	5	109.2320	0.411	10	109.2320	0.411	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]C)	108.8033	0.561	3	109.0418	0.280	5	109.2320	0.411	10	109.2320	0.411	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]C)	109.4222	0.745	5	109.4222	0.556	5	109.2320	0.411	10	109.2320	0.411	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	106.1835	2.462	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.0740	0.000	1	105.0740	0.000	1	105.0740	0.000	1	106.1835	2.462	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H){1|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.5650	0.000	1	107.5650	0.000	1	107.7570	0.087	8	107.7570	0.087	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.8265	0.309	4	107.8265	0.095	4	107.7570	0.087	8	107.7570	0.087	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.7283	0.362	3	107.7283	0.131	3	107.7570	0.087	8	107.7570	0.087	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	109.3552	4.821	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-3:S-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]S)	111.8990	0.000	1	111.8990	0.000	1	111.8990	0.000	1	109.3552	4.821	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[6,6]-4:C[5]-4:O[5,6]-2:C-2:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	109.3552	4.821	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:2:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH){1|H<1>,2|O<1>,4|C<4>}	H(C[5]C[5,6]N[5]C)	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	109.3552	4.821	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]C)	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.9300	0.000	1	107.9300	0.000	1	108.4075	0.456	2	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.8850	0.000	1	108.8850	0.000	1	108.4075	0.456	2	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]C)	107.2160	0.000	1	107.2160	0.000	1	108.9885	6.284	2	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	110.7610	0.000	1	110.7610	0.000	1	108.9885	6.284	2	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2318	0.974	4	108.2318	0.948	4	107.8865	1.175	6	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0900	0.000	1	108.0900	0.000	1	107.8865	1.175	6	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3020	0.000	1	106.3020	0.000	1	107.8865	1.175	6	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]C)	109.1660	0.000	1	109.1660	0.000	1	108.8474	0.166	5	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]N[5]C)	108.3650	0.000	1	108.3650	0.000	1	108.8474	0.166	5	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	108.4440	0.000	1	108.4440	0.000	1	108.8474	0.166	5	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.1310	0.082	2	109.1310	0.007	2	108.8474	0.166	5	108.4232	1.182	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:2:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Br<1>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH){1|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.4910	0.000	1	104.4910	0.000	1	104.4910	0.000	1	104.8115	0.306	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5670	0.199	2	104.5670	0.040	2	104.9183	0.390	3	104.8115	0.306	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.6210	0.000	1	105.6210	0.000	1	104.9183	0.390	3	104.8115	0.306	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	104.0820	0.000	1	104.0820	0.000	1	104.0820	0.000	1	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.4010	1.097	2	109.4010	1.204	2	110.0298	0.634	6	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	110.1340	0.417	2	110.3443	0.260	4	110.0298	0.634	6	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]C)	110.5545	0.655	2	110.3443	0.260	4	110.0298	0.634	6	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[5a]C[5])	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	107.1280	0.000	1	106.9173	0.049	3	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.8120	0.175	2	106.9173	0.049	3	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3920	0.000	1	106.3920	0.000	1	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|H<1>,8|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.8620	0.000	1	106.4790	0.053	5	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3643	0.110	3	106.4790	0.053	5	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4400	0.000	1	106.4790	0.053	5	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.2430	0.000	1	106.3070	0.011	3	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3390	0.126	2	106.3070	0.011	3	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6050	0.000	1	106.6050	0.000	1	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.7700	0.000	1	106.7700	0.000	1	106.5596	0.078	14	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.6895	0.071	2	106.6895	0.005	2	106.6895	0.005	2	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.5923	0.255	3	106.5923	0.065	3	106.5923	0.065	3	107.2515	2.686	27	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	109.1160	0.000	1	109.1160	0.000	1	109.1160	0.000	1	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.8165	0.542	4	107.8165	0.294	4	107.8590	0.229	5	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.0290	0.000	1	108.0290	0.000	1	107.8590	0.229	5	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.4430	0.000	1	108.4430	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.4650	0.000	1	109.4650	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.6210	0.000	1	107.6210	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]C)	106.3560	0.305	2	106.3560	0.093	2	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.3390	0.000	1	107.3390	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	108.4910	0.000	1	108.4910	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.1990	0.007	2	107.1990	0.000	2	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.5600	0.000	1	109.5600	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.4260	0.000	1	108.4260	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.6330	0.000	1	107.6330	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.7890	0.000	1	107.7890	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.8949	0.826	12	108.8839	0.545	15	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.8785	0.342	2	108.8839	0.545	15	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.7630	0.000	1	108.8839	0.545	15	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.5440	0.000	1	107.5440	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.4970	0.000	1	107.4970	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.0130	0.000	1	108.0130	0.000	1	108.3287	0.973	31	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.8080	0.000	1	107.8080	0.000	1	108.3505	0.601	4	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H){1|Cl<1>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.4320	0.000	1	108.4320	0.000	1	108.3505	0.601	4	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	107.7460	0.000	1	107.7460	0.000	1	108.3505	0.601	4	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.4160	0.000	1	109.4160	0.000	1	108.3505	0.601	4	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-3:Si-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]Si)	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.4790	0.000	1	107.4790	0.000	1	107.4908	0.718	10	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.7560	0.000	1	108.7560	0.000	1	107.4908	0.718	10	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.1540	0.000	1	108.1540	0.000	1	107.4908	0.718	10	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5385	0.268	2	106.5385	0.072	2	107.4908	0.718	10	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.3730	0.000	1	107.4884	0.633	5	107.4908	0.718	10	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.9610	0.000	1	107.4884	0.633	5	107.4908	0.718	10	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.0360	0.235	3	107.4884	0.633	5	107.4908	0.718	10	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.4275	0.245	2	107.4275	0.060	2	107.4275	0.060	2	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]C)	109.0053	0.128	4	109.0053	0.017	4	108.9098	0.047	6	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]N[5]C)	108.5210	0.000	1	108.5210	0.000	1	108.9098	0.047	6	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	108.9170	0.000	1	108.9170	0.000	1	108.9098	0.047	6	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	108.8110	0.593	3	108.8110	0.351	3	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.4622	0.114	4	109.4622	0.013	4	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.5547	0.229	3	109.5547	0.052	3	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	108.4460	0.000	1	108.4460	0.000	1	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.1950	0.000	1	109.1950	0.000	1	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]C)	108.9960	0.000	1	108.7680	0.104	2	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	H(C[5]C[5,6]N[5]C)	108.5400	0.000	1	108.7680	0.104	2	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]N[5]C)	109.5870	0.000	1	109.4835	0.021	2	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	H(C[5]C[5,6]N[5]C)	109.3800	0.000	1	109.4835	0.021	2	109.1931	0.212	16	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]N[5]C)	108.8260	0.402	2	108.8260	0.161	2	109.4802	0.333	9	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]C)	110.3185	0.299	2	110.3185	0.089	2	109.4802	0.333	9	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.4113	0.200	3	109.4460	0.031	4	109.4802	0.333	9	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]N[5]C)	109.5500	0.000	1	109.4460	0.031	4	109.4802	0.333	9	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]C)	109.2490	0.000	1	109.2490	0.000	1	109.4802	0.333	9	108.5189	0.934	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]2C[5])	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H){2|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]2C[5])	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	107.8333	0.706	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	107.8333	0.706	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	107.8333	0.706	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	105.1010	0.000	1	105.1010	0.000	1	105.1010	0.000	1	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<2>,3|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3155	0.069	2	106.3155	0.005	2	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4170	0.000	1	106.4753	0.006	3	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.5045	0.087	2	106.4753	0.006	3	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.0913	0.630	4	106.0913	0.397	4	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1290	0.238	2	106.1290	0.056	2	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.8105	0.394	11	106.9692	0.394	15	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.8175	0.499	2	106.9692	0.394	15	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.1880	0.000	1	106.9692	0.394	15	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.8000	0.000	1	106.9692	0.394	15	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.5710	0.000	1	106.5710	0.000	1	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.0620	0.000	1	107.0620	0.000	1	106.6733	0.392	28	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9440	0.393	7	106.9440	0.154	7	106.8989	0.149	8	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.5830	0.000	1	106.5830	0.000	1	106.8989	0.149	8	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.6360	0.758	2	107.6360	0.575	2	107.6360	0.575	2	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S){1|C<4>,2|C<3>,8|H<1>}	H(C[5]C[5,6]C[6a]C[5])	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	106.8246	0.799	40	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	105.9490	0.000	1	105.9490	0.000	1	105.7155	0.109	2	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|S<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	105.4820	0.000	1	105.4820	0.000	1	105.7155	0.109	2	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]C)	103.2120	0.000	1	103.2120	0.000	1	103.2120	0.000	1	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.1060	0.000	1	106.1060	0.000	1	106.2730	2.330	13	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.2820	0.000	1	106.2820	0.000	1	106.2730	2.330	13	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]C)	103.9840	1.583	3	103.9840	2.505	3	106.2730	2.330	13	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.4163	0.171	3	107.4163	0.029	3	106.2730	2.330	13	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2940	0.078	2	107.2940	0.006	2	106.2730	2.330	13	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	106.5665	0.176	2	106.5665	0.031	2	106.2730	2.330	13	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]C)	107.2390	0.000	1	107.2390	0.000	1	106.2730	2.330	13	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.3735	0.042	2	107.3735	0.002	2	107.3735	0.002	2	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.7940	0.518	2	107.7940	0.268	2	107.5697	0.285	3	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.1210	0.000	1	107.1210	0.000	1	107.5697	0.285	3	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.8330	0.000	1	105.8330	0.000	1	106.8551	1.576	8	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5920	0.000	1	106.5920	0.000	1	106.8551	1.576	8	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.6060	0.000	1	106.6060	0.000	1	106.8551	1.576	8	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.4555	1.828	2	108.4555	3.341	2	106.8551	1.576	8	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.2997	0.481	3	106.2997	0.232	3	106.8551	1.576	8	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H)	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]N[5]Si)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]Si)	104.8900	0.000	1	104.8900	0.000	1	104.8900	0.000	1	106.4460	2.099	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2{1|C<2>,1|C<3>,1|O<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9073	0.058	4	110.9073	0.003	4	110.9032	0.002	6	110.9032	0.002	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8950	0.008	2	110.8950	0.000	2	110.9032	0.002	6	110.9032	0.002	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2{1|O<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2025	0.217	2	111.2025	0.047	2	111.2025	0.047	2	110.9868	0.053	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8430	0.064	3	110.8430	0.004	3	110.8430	0.004	3	110.9868	0.053	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	110.8005	0.030	2	110.8005	0.001	2	110.8005	0.001	2	111.1532	0.685	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.0105	0.023	2	110.9925	0.001	4	110.9370	0.004	11	111.1532	0.685	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	110.9745	0.009	2	110.9925	0.001	4	110.9370	0.004	11	111.1532	0.685	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	110.9053	0.049	7	110.9053	0.002	7	110.9370	0.004	11	111.1532	0.685	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	112.6950	2.008	2	112.6950	4.033	2	112.6950	4.033	2	111.1532	0.685	15	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-2:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0555	0.011	2	111.0555	0.000	2	111.0555	0.000	2	111.0555	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2{1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	112.3060	0.621	2	112.3060	0.385	2	110.9423	1.817	8	110.9423	1.817	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9650	0.040	2	110.9650	0.002	2	110.9423	1.817	8	110.9423	1.817	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3){1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.8800	2.479	2	109.8800	6.146	2	110.9423	1.817	8	110.9423	1.817	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2{3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6180	0.025	2	110.6180	0.001	2	110.9423	1.817	8	110.9423	1.817	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[4,5,5]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H)	H(C[5]C[4,5,5]C[5,6]H)	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[4,5,5]C[5,6]H)	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1093	0.055	3	111.1093	0.003	3	111.2449	0.021	7	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.4240	0.008	2	111.3465	0.008	4	111.2449	0.021	7	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2690	0.006	2	111.3465	0.008	4	111.2449	0.021	7	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0300	0.013	2	111.0300	0.000	2	111.0740	0.014	10	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9070	0.007	2	110.9070	0.000	2	111.0740	0.014	10	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1780	0.082	4	111.1780	0.007	4	111.0740	0.014	10	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0770	0.048	2	111.0770	0.002	2	111.0740	0.014	10	111.1578	0.025	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7885	0.052	2	110.7885	0.003	2	110.7885	0.003	2	110.7703	0.013	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:N-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2{1|C<2>,1|O<1>,4|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH){1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7612	0.146	4	110.7612	0.021	4	110.7612	0.021	4	110.7703	0.013	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:3:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.0645	0.013	2	111.0645	0.000	2	111.0645	0.000	2	111.0645	0.000	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	110.9140	0.013	2	110.9140	0.000	2	110.9140	0.000	2	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2{2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7360	0.037	2	110.7360	0.001	2	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	112.0850	1.022	2	112.0850	1.045	2	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9550	0.000	1	110.9550	0.000	1	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8270	0.064	2	110.8270	0.004	2	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7818	0.017	4	110.7818	0.000	4	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9030	0.027	2	110.9030	0.001	2	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0720	0.000	1	111.0720	0.000	1	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0030	0.024	2	111.1073	0.033	3	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3160	0.000	1	111.1073	0.033	3	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0250	0.023	2	111.0250	0.001	2	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9300	2.910	2	110.9300	8.471	2	111.0232	0.620	21	111.0137	0.564	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.6055	0.042	2	110.6055	0.002	2	110.6055	0.002	2	110.6055	0.002	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]2H)	111.0950	0.030	2	111.0950	0.001	2	111.0950	0.001	2	110.8990	0.075	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2{1|Br<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]2H)	110.6005	0.049	2	110.6005	0.002	2	110.6005	0.002	2	110.8990	0.075	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	2:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<2>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	110.8990	0.075	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.1260	0.006	2	111.1260	0.000	2	111.1260	0.000	2	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7420	0.042	4	110.7420	0.002	4	110.7420	0.002	4	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0855	0.043	2	111.0855	0.002	2	111.0929	0.031	10	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1890	0.008	2	111.1890	0.000	2	111.0929	0.031	10	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1100	0.062	2	111.1100	0.004	2	111.0929	0.031	10	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|S<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]H)	111.0400	0.286	4	111.0400	0.082	4	111.0929	0.031	10	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2{1|O<1>,2|C<3>}	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.2610	0.037	2	111.2610	0.001	2	111.2610	0.001	2	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0695	0.100	2	111.0695	0.010	2	111.0695	0.010	2	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8120	0.034	2	110.6335	1.990	4	110.6335	1.990	4	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4550	2.417	2	110.6335	1.990	4	110.6335	1.990	4	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2052	0.074	5	111.2052	0.006	5	111.2052	0.006	5	111.0138	0.261	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2{5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	H(C[5]C[5,6]C[5]H)	110.6490	0.057	2	110.6490	0.003	2	110.6490	0.003	2	110.6490	0.003	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,1|S<2>,3|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2055	0.040	2	111.2055	0.002	2	111.2055	0.002	2	111.2055	0.002	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.0290	0.000	1	111.0290	0.000	1	111.0290	0.000	1	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]2H)	110.9660	0.865	2	110.9660	0.749	2	110.9660	0.749	2	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.9430	1.701	2	109.9430	2.894	2	109.9430	2.894	2	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6910	0.020	2	110.6910	0.000	2	111.1586	0.039	22	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2256	0.124	18	111.2256	0.015	18	111.1586	0.039	22	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0230	0.013	2	111.0230	0.000	2	111.1586	0.039	22	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8680	0.000	1	110.8680	0.000	1	110.9470	0.168	7	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9620	0.000	1	110.9620	0.000	1	110.9470	0.168	7	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2{2|C<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4180	0.031	2	110.4180	0.001	2	110.9470	0.168	7	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.3210	0.107	3	111.3210	0.011	3	110.9470	0.168	7	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1545	0.025	2	111.1545	0.001	2	111.1545	0.001	2	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8250	0.000	1	110.8250	0.000	1	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0665	0.018	2	111.0665	0.000	2	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.1140	2.174	4	110.1140	4.726	4	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6775	0.146	4	111.0693	1.142	6	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.8530	1.950	2	111.0693	1.142	6	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7977	0.191	3	110.7288	0.027	5	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6255	0.013	2	110.7288	0.027	5	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3220	0.006	2	111.3220	0.000	2	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8247	0.047	4	110.8247	0.002	4	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9000	0.549	8	110.9000	0.301	8	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0736	0.067	5	111.0736	0.005	5	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.3830	0.000	1	111.3830	0.000	1	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2122	0.032	4	111.2122	0.001	4	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1395	0.016	2	111.0980	0.005	3	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0150	0.000	1	111.0980	0.005	3	110.9225	0.596	45	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0140	0.030	2	111.0140	0.001	2	111.0796	0.013	5	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1233	0.132	3	111.1233	0.017	3	111.0796	0.013	5	110.9784	0.406	87	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6,6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2{4|C<3>,5|C<4>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC){1|C<4>,2|O<2>,6|C<3>}	H(C[5]C[5,6]2H)	110.0195	0.025	2	110.0195	0.001	2	110.0195	0.001	2	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.1068	0.046	4	111.1068	0.002	4	111.2143	0.029	6	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.4295	0.009	2	111.4295	0.000	2	111.2143	0.029	6	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN){1|Si<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1302	0.127	4	111.1302	0.016	4	111.1302	0.016	4	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0918	0.058	4	111.0918	0.003	4	111.0918	0.003	4	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1102	0.236	4	111.1102	0.056	4	111.1102	0.056	4	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	109.7062	3.732	4	109.7062	13.931	4	109.8773	11.405	8	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6700	1.597	2	110.6700	2.549	2	109.8773	11.405	8	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	109.4265	5.806	2	109.4265	33.710	2	109.8773	11.405	8	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6]-3:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9145	0.067	2	110.9145	0.005	2	110.9145	0.005	2	110.7167	3.112	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4340	0.068	2	111.4340	0.005	2	111.4340	0.005	2	111.4636	1.042	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){5|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5280	0.004	2	110.5280	0.000	2	110.5280	0.000	2	111.4636	1.042	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	H(C[5]C[5,6]C[5]H)	113.6235	0.011	2	113.6235	0.000	2	113.6235	0.000	2	111.4636	1.042	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3840	0.102	2	111.3840	0.010	2	111.3840	0.010	2	111.4636	1.042	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3590	0.027	2	111.0623	0.118	4	111.0623	0.118	4	111.4636	1.042	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7655	0.019	2	111.0623	0.118	4	111.0623	0.118	4	111.4636	1.042	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	111.4636	1.042	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2260	0.035	2	110.2260	0.001	2	110.2260	0.001	2	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0830	0.021	2	111.0830	0.000	2	111.0830	0.000	2	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2{2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.6010	0.006	2	110.6010	0.000	2	110.6010	0.000	2	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6960	0.000	1	110.6960	0.000	1	110.6991	0.649	14	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1023	0.054	3	111.1023	0.003	3	110.6991	0.649	14	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0367	0.046	6	111.0367	0.002	6	110.6991	0.649	14	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.8912	1.244	4	109.8912	1.547	4	110.6991	0.649	14	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9787	0.027	6	110.9787	0.001	6	110.9787	0.001	6	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7545	0.015	2	110.7545	0.000	2	110.7545	0.000	2	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,2|C<3>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.4285	0.032	2	110.1190	0.128	4	110.2002	0.093	6	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,3|C<3>,5|C<4>}	H(C[5]C[5,6]C[5]H)	109.8095	0.006	2	110.1190	0.128	4	110.2002	0.093	6	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.3625	0.013	2	110.3625	0.000	2	110.2002	0.093	6	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	108.9640	0.426	2	108.9640	0.181	2	108.9640	0.181	2	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8375	0.012	2	110.8375	0.000	2	110.9493	0.017	4	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0610	0.004	2	111.0610	0.000	2	110.9493	0.017	4	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7225	0.023	2	110.7225	0.001	2	110.7225	0.001	2	110.6038	0.433	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{6|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H){2|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	110.4295	0.029	2	110.4295	0.001	2	110.4295	0.001	2	110.6536	2.624	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1330	3.404	2	111.1330	11.587	2	111.1330	11.587	2	110.6536	2.624	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.0515	3.623	2	110.0515	13.123	2	110.0515	13.123	2	110.6536	2.624	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7892	0.224	4	110.7892	0.050	4	110.7924	0.038	5	110.6536	2.624	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8050	0.000	1	110.8050	0.000	1	110.7924	0.038	5	110.6536	2.624	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:3:	4:	C[5,6]-4:S[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-2:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO){1|C<3>,2|H<1>,3|O<1>}	H(C[5]C[5,6]S[5]H)	111.3755	0.035	2	111.3755	0.001	2	111.3755	0.001	2	111.3755	0.001	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH){1|C<4>,6|C<3>}	H(C[5]C[5,6]2H)	110.5085	0.009	2	110.5085	0.000	2	110.5085	0.000	2	110.7657	0.095	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2120	0.035	2	111.2120	0.001	2	111.0155	0.054	4	110.7657	0.095	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8190	0.076	2	110.8190	0.006	2	111.0155	0.054	4	110.7657	0.095	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.5235	0.045	2	110.5235	0.002	2	110.5235	0.002	2	110.7657	0.095	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[3,5,6]C[5,6]H)	111.9183	1.134	4	111.9183	1.286	4	111.9183	1.286	4	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.1155	0.026	2	111.1155	0.001	2	111.1795	0.006	4	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.2435	0.018	2	111.2435	0.000	2	111.1795	0.006	4	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1519	0.198	8	111.1519	0.039	8	111.1519	0.039	8	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	111.0653	0.090	3	111.0653	0.008	3	111.1129	0.009	7	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	111.1485	0.096	4	111.1485	0.009	4	111.1129	0.009	7	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.5595	1.054	2	109.5595	1.112	2	108.5205	30.390	4	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	107.4815	9.260	2	107.4815	85.740	2	108.5205	30.390	4	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4830	0.064	3	111.4830	0.004	3	111.4830	0.004	3	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9915	0.595	4	110.9915	0.354	4	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5770	1.390	6	110.5770	1.932	6	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2005	0.011	2	111.1107	0.984	20	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0295	1.237	13	111.1107	0.984	20	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2856	0.126	5	111.1107	0.984	20	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2285	0.067	2	110.7940	0.258	4	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3595	0.125	2	110.7940	0.258	4	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3197	0.026	4	111.3197	0.001	4	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9165	0.013	2	110.9165	0.000	2	110.9982	0.823	40	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1925	0.403	4	111.1925	0.163	4	111.1925	0.163	4	110.9814	2.153	74	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.7275	0.015	2	110.7275	0.000	2	110.7275	0.000	2	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.1695	0.107	4	111.0176	0.032	11	111.0435	0.031	13	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	110.9309	0.153	7	111.0176	0.032	11	111.0435	0.031	13	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.1860	0.061	2	111.1860	0.004	2	111.0435	0.031	13	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.1775	0.006	2	111.1775	0.000	2	111.1775	0.000	2	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{2|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|Br<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0754	2.894	16	111.0754	8.377	16	111.0771	7.853	17	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1030	0.000	1	111.1030	0.000	1	111.0771	7.853	17	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1910	0.025	2	111.1910	0.001	2	111.1910	0.001	2	111.0574	3.609	36	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2{2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.0360	0.052	2	111.0360	0.003	2	111.0360	0.003	2	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]2H)	110.5177	0.019	3	110.5177	0.000	3	110.5726	0.006	5	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|O<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]2H)	110.6550	0.007	2	110.6550	0.000	2	110.5726	0.006	5	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:B[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C){1|B<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7520	0.047	2	110.7520	0.002	2	110.7520	0.002	2	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1850	0.017	2	111.1850	0.000	2	111.1850	0.000	2	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	108.2680	0.878	2	108.2680	0.771	2	108.2680	0.771	2	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(P[5]C[5,6a]C[6a]B)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(P[5]C[5,6a]C[6a]B)(H)2{2|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2{1|B<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]P[5]H)	109.3840	0.342	2	109.3840	0.117	2	109.3840	0.117	2	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:S[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2{1|C<3>,1|N<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO){1|C<3>,2|H<1>,3|O<1>}	H(C[5]C[5,6]S[5]H)	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,6]-4:Si[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	H(C[5]C[5,6]Si[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]Si[5]H)	110.5435	0.032	2	110.5435	0.001	2	110.5435	0.001	2	110.3361	0.864	18	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	H(C[5]C[5,6]2H)	110.1350	0.018	2	110.4446	0.052	7	110.5444	0.043	14	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	H(C[5]C[5,6]2H)	110.4950	0.049	3	110.4446	0.052	7	110.5444	0.043	14	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|O<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	H(C[5]C[5,6]2H)	110.6785	0.029	2	110.4446	0.052	7	110.5444	0.043	14	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[5]C[5,6]2H)	110.4735	0.005	2	110.4735	0.000	2	110.5444	0.043	14	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	110.6543	0.025	3	110.7126	0.007	5	110.5444	0.043	14	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	H(C[5]C[5,6]2H)	110.8000	0.021	2	110.7126	0.007	5	110.5444	0.043	14	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.1500	0.000	1	111.1500	0.000	1	110.6892	0.085	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.2320	0.000	1	110.2320	0.000	1	110.6892	0.085	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.6882	0.030	4	110.6882	0.001	4	110.6892	0.085	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9015	0.071	2	110.9015	0.005	2	111.1857	0.105	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1773	0.050	3	111.1773	0.003	3	111.1857	0.105	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]O[5]HS)(H)2	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]O[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.7790	0.000	1	111.7790	0.000	1	111.1857	0.105	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7060	0.116	3	110.7060	0.013	3	110.8803	0.042	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0547	0.018	3	111.0547	0.000	3	110.8803	0.042	6	110.7548	0.115	32	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.6450	0.057	2	110.6450	0.003	2	110.6450	0.003	2	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.5265	0.038	4	110.5265	0.001	4	110.8355	0.230	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.4535	0.033	2	111.4535	0.001	2	110.8355	0.230	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8905	0.023	2	110.8905	0.001	2	110.8122	0.022	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.9245	0.032	2	110.9245	0.001	2	110.8122	0.022	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.6215	0.005	2	110.6215	0.000	2	110.8122	0.022	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2{1|O<1>,2|H<1>,6|C<4>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	109.9215	3.791	2	109.9215	14.370	2	109.9215	14.370	2	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.9837	0.297	6	111.0673	0.087	8	111.0673	0.087	8	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{2|N<3>,3|C<3>,3|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	111.3180	0.030	2	111.0673	0.087	8	111.0673	0.087	8	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	110.8895	0.103	2	110.8895	0.011	2	110.8895	0.011	2	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	111.0377	0.017	3	111.0377	0.000	3	111.0377	0.000	3	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|S<4>,2|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]2H)	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:Br-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H)	H(C[5]C[5,6]C[5]Br)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]Br)	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5510	0.030	2	110.5510	0.001	2	110.5510	0.001	2	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8955	0.011	2	110.8955	0.000	2	110.7873	0.016	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6790	0.035	2	110.6790	0.001	2	110.7873	0.016	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.4365	2.183	2	111.4365	4.765	2	111.2278	1.646	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0190	0.020	2	111.0190	0.000	2	111.2278	1.646	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.5180	0.062	2	110.5180	0.004	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8470	0.068	2	110.8470	0.005	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8000	0.006	2	110.8000	0.000	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.5390	0.018	2	110.5390	0.000	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.4785	0.087	2	110.4785	0.008	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1102	0.155	5	111.1102	0.024	5	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2110	0.035	2	111.2110	0.001	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5005	0.008	2	110.4125	0.010	4	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.3245	0.009	2	110.4125	0.010	4	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2{1|B<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H){2|Si<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.3185	0.054	4	110.3185	0.003	4	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7690	0.017	2	110.7690	0.000	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8750	0.023	2	110.8750	0.001	2	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.1040	4.033	6	110.1040	16.269	6	110.6050	2.528	35	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7750	0.000	1	113.9652	8.271	5	113.4398	8.273	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	114.7627	2.605	4	113.9652	8.271	5	113.4398	8.273	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8130	0.000	1	110.8130	0.000	1	113.4398	8.273	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9275	0.043	2	110.9275	0.002	2	111.1032	1.989	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5975	0.009	2	110.5975	0.000	2	111.1032	1.989	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.7845	2.906	2	111.7845	8.442	2	111.1032	1.989	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8902	0.155	4	110.8902	0.024	4	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9340	0.025	2	111.0708	0.022	14	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1180	0.004	2	111.0708	0.022	14	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0050	0.014	2	111.0708	0.022	14	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0995	0.028	2	111.0708	0.022	14	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3780	0.054	2	111.0708	0.022	14	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9590	0.006	2	111.0708	0.022	14	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.0020	0.064	2	111.0708	0.022	14	111.0307	0.027	18	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	H(C[5]C[5,6]C[5]H)	110.8050	0.000	1	110.8050	0.000	1	110.6519	0.682	12	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4200	0.000	1	110.8367	0.255	3	110.6519	0.682	12	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5450	0.020	2	110.8367	0.255	3	110.6519	0.682	12	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0305	0.008	2	111.0305	0.000	2	110.6519	0.682	12	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.2250	0.014	2	111.2250	0.000	2	110.6519	0.682	12	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	108.9930	0.409	2	108.9930	0.167	2	110.6519	0.682	12	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0055	0.005	2	111.0055	0.000	2	110.6519	0.682	12	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6090	0.020	4	110.5928	0.002	5	110.2864	1.798	7	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5280	0.000	1	110.5928	0.002	5	110.2864	1.798	7	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.5205	3.023	2	109.5205	9.138	2	110.2864	1.798	7	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4800	0.987	2	111.4800	0.974	2	110.8798	0.280	8	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6370	0.014	4	110.6797	0.005	6	110.8798	0.280	8	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){2|S<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7650	0.041	2	110.6797	0.005	6	110.8798	0.280	8	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.7235	2.440	2	111.3330	2.189	4	111.3330	2.189	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9425	0.046	2	111.3330	2.189	4	111.3330	2.189	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7413	0.025	4	110.7413	0.001	4	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3719	1.030	10	110.5523	1.018	23	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3740	1.689	5	110.5523	1.018	23	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8045	0.032	4	110.5523	1.018	23	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9742	0.016	4	110.5523	1.018	23	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7805	0.032	2	110.7805	0.001	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5017	1.430	15	110.3348	9.956	39	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1158	0.698	4	110.3348	9.956	39	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8865	0.023	2	110.3348	9.956	39	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7235	0.009	2	110.3348	9.956	39	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1156	4.803	16	110.3348	9.956	39	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8550	1.327	2	110.8550	1.760	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9832	0.093	4	110.9832	0.009	4	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9382	0.035	4	110.9382	0.001	4	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8090	0.042	2	110.8090	0.002	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	111.7190	3.490	2	111.7190	12.182	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0090	0.021	2	111.0090	0.000	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1345	0.018	2	110.9652	0.034	19	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7995	0.060	2	110.9652	0.034	19	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5465	0.028	2	110.9652	0.034	19	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0290	0.087	13	110.9652	0.034	19	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9298	0.330	13	110.9298	0.109	13	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1275	0.012	2	110.7002	0.084	11	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4767	0.021	6	110.7002	0.084	11	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7370	0.055	2	110.7002	0.084	11	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1130	0.000	1	110.7002	0.084	11	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3080	0.069	2	111.3210	0.002	4	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3340	0.041	2	111.3210	0.002	4	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7288	0.069	5	110.7288	0.005	5	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7760	0.011	2	110.7760	0.000	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9600	0.000	1	110.9600	0.000	1	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5265	0.062	2	110.5265	0.004	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7790	0.052	2	110.7790	0.003	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6065	0.037	2	110.6065	0.001	2	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2300	0.055	4	111.2300	0.003	4	110.7052	2.912	149	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1080	0.023	2	110.9118	0.026	6	110.9118	0.026	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7640	0.057	2	110.9118	0.026	6	110.9118	0.026	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){4|C<3>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8635	0.049	2	110.9118	0.026	6	110.9118	0.026	6	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7715	0.056	4	110.7715	0.003	4	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6960	0.018	2	110.6960	0.000	2	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<4>,4|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.8437	0.046	6	110.8437	0.002	6	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5295	0.019	2	110.7013	0.021	6	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8455	0.015	2	110.7013	0.021	6	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7290	0.027	2	110.7013	0.021	6	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7920	0.058	4	110.7548	0.006	6	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6805	0.037	2	110.7548	0.006	6	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8870	0.049	2	110.7640	0.032	8	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7230	0.190	6	110.7640	0.032	8	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6803	0.194	7	110.6657	0.029	9	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6145	0.011	2	110.6657	0.029	9	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0540	0.025	2	111.0860	0.002	4	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1180	0.028	2	111.0860	0.002	4	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6796	0.053	5	110.6796	0.003	5	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2440	0.018	2	111.2440	0.000	2	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	105.0900	4.828	2	105.0900	23.311	2	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.9151	0.105	9	110.9151	0.011	9	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7840	0.000	1	110.7840	0.000	1	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0030	0.000	1	110.9370	0.003	3	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9040	0.020	2	110.9370	0.003	3	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4425	3.539	2	110.4425	12.525	2	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8520	0.010	2	110.8520	0.000	2	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7723	0.037	3	110.7723	0.001	3	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	113.3400	0.498	2	113.3400	0.248	2	110.7133	1.545	76	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.5560	1.011	4	109.5560	1.022	4	109.5560	1.022	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Al<4>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	110.8875	0.015	4	110.8875	0.000	4	110.8875	0.000	4	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2{1|B<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	H(C[5]C[5,6]P[5]H)	110.9595	0.040	2	110.9595	0.002	2	110.9595	0.002	2	110.7741	2.106	379	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.3685	0.019	2	110.2125	0.033	4	110.2125	0.033	4	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.0565	0.015	2	110.2125	0.033	4	110.2125	0.033	4	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|C<4>}	H(C[5]C[5,6]2H)	110.2597	0.165	4	110.2597	0.027	4	110.4042	0.067	6	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,6]2H)	110.6930	0.030	2	110.6930	0.001	2	110.4042	0.067	6	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.2555	0.012	2	110.2555	0.000	2	110.2555	0.000	2	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	109.7305	1.917	2	109.7305	3.675	2	109.7305	3.675	2	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1520	0.035	2	111.1520	0.001	2	111.1520	0.001	2	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8117	0.062	3	110.8117	0.004	3	110.8117	0.004	3	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0410	0.000	1	111.0410	0.000	1	111.0111	0.420	11	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0081	0.683	10	111.0081	0.467	10	111.0111	0.420	11	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8575	0.011	2	110.8575	0.000	2	110.7617	0.028	3	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.5700	0.000	1	110.5700	0.000	1	110.7617	0.028	3	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.9345	0.339	2	109.9345	0.115	2	110.4408	0.380	4	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9470	0.013	2	110.9470	0.000	2	110.4408	0.380	4	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7470	0.021	2	110.7470	0.000	2	110.7520	0.000	3	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7620	0.000	1	110.7620	0.000	1	110.7520	0.000	3	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5220	0.030	2	110.5220	0.001	2	110.5220	0.001	2	110.6299	0.364	42	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2{2|C<4>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	109.1770	2.003	2	109.1770	4.010	2	109.1770	4.010	2	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2{4|C<3>,5|C<4>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]2H)	110.0580	0.020	2	110.0580	0.000	2	110.0580	0.000	2	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8400	0.035	2	110.8400	0.001	2	110.8400	0.001	2	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7815	0.059	2	110.7815	0.003	2	110.7815	0.003	2	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.3650	0.048	4	111.3650	0.002	4	111.3650	0.002	4	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4228	0.062	5	110.4271	0.003	7	110.4271	0.003	7	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4380	0.004	2	110.4271	0.003	7	110.4271	0.003	7	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4735	0.184	4	110.5621	0.066	8	110.5621	0.066	8	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6508	0.314	4	110.5621	0.066	8	110.5621	0.066	8	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6685	0.062	6	110.6685	0.004	6	110.7253	0.014	8	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8955	0.047	2	110.8955	0.002	2	110.7253	0.014	8	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.1975	0.016	2	110.1975	0.000	2	110.1975	0.000	2	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8250	0.020	2	110.8250	0.000	2	110.6123	1.007	6	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6840	0.020	2	110.6840	0.000	2	110.6123	1.007	6	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3280	2.185	2	110.3280	4.774	2	110.6123	1.007	6	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7350	0.000	1	110.7350	0.000	1	110.9890	0.132	5	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9430	0.016	2	110.9430	0.000	2	110.9890	0.132	5	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.1620	0.632	2	111.1620	0.400	2	110.9890	0.132	5	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.4650	3.090	2	109.4650	9.548	2	109.4650	9.548	2	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2075	0.028	2	111.2075	0.001	2	111.2075	0.001	2	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7995	0.327	8	110.7819	0.098	15	110.7819	0.098	15	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7617	0.322	7	110.7819	0.098	15	110.7819	0.098	15	110.6288	0.501	68	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.5155	0.008	2	110.5155	0.000	2	110.5155	0.000	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]2H)	110.4370	0.040	2	110.4370	0.002	2	110.4370	0.002	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]2H)	110.1260	0.030	2	110.1260	0.001	2	110.1260	0.001	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3){2|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.1160	0.004	2	110.1160	0.000	2	110.1160	0.000	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.1008	0.058	4	110.1008	0.003	4	110.2834	0.112	7	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.0480	0.000	1	110.0480	0.000	1	110.2834	0.112	7	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7665	0.076	2	110.7665	0.006	2	110.2834	0.112	7	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4050	0.445	2	110.4050	0.198	2	110.4050	0.198	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0650	0.011	2	111.0650	0.000	2	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.0525	0.006	2	110.0525	0.000	2	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3720	0.020	2	110.3720	0.000	2	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6477	0.051	3	110.6477	0.003	3	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4830	0.024	2	110.4830	0.001	2	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1495	0.006	2	111.0415	0.016	4	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9335	0.042	2	111.0415	0.016	4	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8010	0.042	2	110.8010	0.002	2	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5515	0.009	2	110.5515	0.000	2	110.6715	0.111	19	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4755	0.022	2	110.4755	0.000	2	110.4755	0.000	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.1045	0.011	2	110.1045	0.000	2	110.1045	0.000	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<6>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,8|C<4>}	H(C[5]C[5,6]C[5]H)	110.3775	0.012	2	110.3775	0.000	2	110.0503	0.300	11	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.6205	0.049	2	109.6205	0.002	2	110.0503	0.300	11	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.9400	0.014	2	109.9400	0.000	2	110.0503	0.300	11	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,2|C<4>,4|H<1>}	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5100	0.018	2	110.5100	0.000	2	110.0503	0.300	11	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.4460	0.031	2	110.4460	0.001	2	110.0503	0.300	11	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2{1|Si<4>,1|N<2>,3|C<4>,4|H<1>}	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	108.7650	0.000	1	108.7650	0.000	1	110.0503	0.300	11	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8603	0.164	3	110.8603	0.027	3	110.8603	0.027	3	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2410	0.064	4	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9130	0.042	2	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9257	0.643	32	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0190	0.052	2	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	109.5385	0.784	2	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9578	0.024	4	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9555	0.035	2	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0030	0.011	2	110.9055	0.362	50	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6192	0.133	6	110.6192	0.018	6	110.8749	0.332	56	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1340	0.021	2	111.1340	0.000	2	111.0743	0.005	4	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0145	0.016	2	111.0145	0.000	2	111.0743	0.005	4	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6462	0.068	4	110.6462	0.005	4	110.6462	0.005	4	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6543	0.095	4	110.6543	0.009	4	110.6543	0.009	4	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2{1|C<3>,1|N<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7428	3.140	4	110.7428	9.859	4	110.7428	9.859	4	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7723	0.077	3	110.7723	0.006	3	110.7723	0.006	3	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.2445	0.391	2	109.2445	0.153	2	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8085	1.927	6	110.8085	3.715	6	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5140	0.133	4	110.5140	0.018	4	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5800	0.014	2	110.5800	0.000	2	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7245	0.057	2	110.7245	0.003	2	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8910	0.004	2	110.8910	0.000	2	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8015	0.408	2	110.8015	0.166	2	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9485	0.177	6	110.9485	0.031	6	110.6570	0.960	26	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.2210	0.014	2	110.2210	0.000	2	110.2210	0.000	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8955	0.029	2	110.8955	0.001	2	110.8955	0.001	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5395	0.022	2	110.5395	0.000	2	110.4622	0.011	6	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4235	0.111	4	110.4235	0.012	4	110.4622	0.011	6	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7927	0.039	3	110.7927	0.001	3	110.7927	0.001	3	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,6|H<1>}	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5985	0.221	4	110.5985	0.049	4	110.5985	0.049	4	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]N[5]H)	110.4330	0.103	2	110.4330	0.011	2	110.4330	0.011	2	110.6550	0.515	175	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,3x6]C[5,6]H)	111.1816	0.039	8	111.1816	0.002	8	111.1816	0.002	8	111.1334	0.012	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	110.9405	0.023	2	110.9405	0.001	2	110.9405	0.001	2	111.1334	0.012	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:O[6]-2:O[6]-2:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.4955	0.052	2	110.4955	0.003	2	110.4955	0.003	2	110.4955	0.003	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1587	0.143	4	111.1587	0.020	4	111.1587	0.020	4	111.1587	0.020	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:N[5,6]-2:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7350	0.035	2	110.7350	0.001	2	110.7350	0.001	2	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	110.8275	0.042	2	110.8275	0.002	2	110.8275	0.002	2	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2497	0.022	3	111.2497	0.000	3	111.2497	0.000	3	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6457	0.259	14	110.6457	0.067	14	110.7304	0.112	16	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3230	0.024	2	111.3230	0.001	2	110.7304	0.112	16	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8975	0.039	2	110.8975	0.002	2	110.8975	0.002	2	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0590	0.056	3	111.0590	0.003	3	111.0590	0.003	3	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1365	0.006	2	111.1365	0.000	2	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1870	0.010	2	111.1870	0.000	2	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0433	0.003	3	111.0476	0.005	23	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0482	0.080	20	111.0476	0.005	23	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0670	0.027	2	111.0777	0.006	35	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0637	0.052	10	111.0777	0.006	35	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0847	0.093	23	111.0777	0.006	35	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1069	0.117	50	111.1069	0.014	50	111.0875	0.010	112	111.0381	0.036	140	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	109.8600	2.608	4	109.8600	6.804	4	109.8600	6.804	4	110.4633	3.468	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2{1|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0225	0.064	2	111.0225	0.004	2	111.0225	0.004	2	110.4633	3.468	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1990	0.017	2	110.5175	2.021	6	110.5175	2.021	6	110.4633	3.468	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1040	0.021	2	110.5175	2.021	6	110.5175	2.021	6	110.4633	3.468	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.2495	2.296	2	110.5175	2.021	6	110.5175	2.021	6	110.4633	3.468	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:S-2:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<4>}	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.8950	2.025	2	109.8950	4.101	2	109.8950	4.101	2	110.4633	3.468	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.5165	3.526	2	111.5165	12.435	2	111.5165	12.435	2	110.4633	3.468	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	112.1080	1.882	2	111.7225	8.754	4	111.7225	8.754	4	111.3600	5.568	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.3370	4.704	2	111.7225	8.754	4	111.7225	8.754	4	111.3600	5.568	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H){2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6350	0.010	2	110.6350	0.000	2	110.6350	0.000	2	111.3600	5.568	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5]-4:	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5,6]H)	111.0145	0.015	2	111.0145	0.000	2	111.0145	0.000	2	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2{1|O<2>,2|C<3>,3|H<1>,8|C<4>}	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	H(C[5]C[3x5,6]C[5,6]H)	110.6525	0.032	2	110.6525	0.001	2	110.6525	0.001	2	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5]-4:	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3)	H(C[5]C[4x5,6,6]C[5,6]H)	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2{1|O<1>,3|H<1>,6|C<4>}	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[4x5,6,6]C[5,6]H)	111.2000	0.018	2	111.2000	0.000	2	111.2000	0.000	2	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,4x6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,4x6]C[5,6]H)	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2{1|O<2>,3|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,4x6]C[5,6]H)	110.5385	3.994	2	110.5385	15.956	2	110.5385	15.956	2	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8730	0.000	1	110.8587	0.000	3	110.8587	0.000	3	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8515	0.018	2	110.8587	0.000	3	110.8587	0.000	3	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1165	0.033	2	111.1165	0.001	2	111.1165	0.001	2	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8429	0.080	11	110.8429	0.006	11	110.8429	0.006	11	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9523	0.197	4	110.9523	0.039	4	110.9523	0.039	4	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8730	0.025	2	110.8730	0.001	2	110.4016	6.232	8	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8675	0.039	2	110.2445	8.606	6	110.4016	6.232	8	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	109.9330	3.736	4	110.2445	8.606	6	110.4016	6.232	8	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.4110	0.768	4	109.7977	0.713	6	109.7977	0.713	6	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5710	0.007	2	109.7977	0.713	6	109.7977	0.713	6	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|S<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3715	2.599	2	110.3715	6.753	2	110.3715	6.753	2	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6445	0.047	2	110.6445	0.002	2	110.3209	1.992	12	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8605	0.008	2	109.7865	3.666	6	110.3209	1.992	12	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.2495	2.226	4	109.7865	3.666	6	110.3209	1.992	12	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9608	0.076	4	110.9608	0.006	4	110.3209	1.992	12	110.5696	1.794	57	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|O<1>,2|O<2>}	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5]){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.4385	1.831	4	109.4385	3.353	4	109.4385	3.353	4	110.2435	1.903	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0755	0.035	2	111.0755	0.001	2	110.6942	0.885	4	110.2435	1.903	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3130	1.440	2	110.3130	2.073	2	110.6942	0.885	4	110.2435	1.903	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9520	0.008	2	110.9520	0.000	2	110.9520	0.000	2	110.2435	1.903	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9390	0.037	2	110.9390	0.001	2	111.0474	0.010	5	110.2829	2.371	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,2|N<3>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1197	0.022	3	111.1197	0.000	3	111.0474	0.010	5	110.2829	2.371	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O){3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7380	0.000	1	110.7380	0.000	1	109.5184	3.864	5	110.2829	2.371	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8660	0.016	2	110.8660	0.000	2	109.5184	3.864	5	110.2829	2.371	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	107.5610	1.635	2	107.5610	2.673	2	109.5184	3.864	5	110.2829	2.371	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2{1|C<4>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	H(C[5]C[5,6]C[5]H)	110.3907	0.039	4	110.3907	0.001	4	110.3907	0.001	4	110.4024	0.525	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>,7|C<4>}	H(C[5]C[5,6]C[5]H)	111.2750	1.502	2	111.2750	2.256	2	110.7405	1.134	4	110.4024	0.525	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,6|H<1>,7|C<4>}	H(C[5]C[5,6]C[5]H)	110.2060	0.069	2	110.2060	0.005	2	110.7405	1.134	4	110.4024	0.525	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	H(C[5]C[5,6]C[5]H)	109.7495	0.069	2	109.7495	0.005	2	109.7495	0.005	2	110.4024	0.525	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.4885	0.063	4	110.4885	0.004	4	110.4885	0.004	4	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4x6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7560	0.007	2	110.7560	0.000	2	110.7560	0.000	2	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.9315	1.111	2	109.9315	1.234	2	109.9315	1.234	2	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6203	0.087	3	110.8016	0.043	11	110.8016	0.043	11	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0538	0.057	4	110.8016	0.043	11	110.8016	0.043	11	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6855	0.033	4	110.8016	0.043	11	110.8016	0.043	11	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7555	0.035	2	110.7555	0.001	2	110.7555	0.001	2	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	109.1565	2.764	4	109.1565	7.638	4	109.1565	7.638	4	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4854	0.460	8	110.4854	0.212	8	110.5517	0.494	32	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]O[5,6]C[5]Se)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7860	0.025	2	110.7860	0.001	2	110.5517	0.494	32	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6105	0.210	2	110.6105	0.044	2	110.5517	0.494	32	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|C<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	109.3150	1.134	2	109.3150	1.286	2	110.5517	0.494	32	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H){1|Si<5>,2|C<4>,2|N<2>,8|H<1>}	H(C[5]C[5,6]C[5]H)	112.1120	1.508	2	112.1120	2.273	2	110.5517	0.494	32	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8895	0.022	2	110.8895	0.000	2	110.5517	0.494	32	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4532	0.371	14	110.4532	0.137	14	110.5517	0.494	32	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.3565	0.022	2	110.3565	0.000	2	110.3565	0.000	2	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	111.1685	0.021	2	111.1685	0.000	2	111.1685	0.000	2	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6580	0.016	2	110.6580	0.000	2	111.1235	0.557	10	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	112.4820	0.037	2	112.4820	0.001	2	111.1235	0.557	10	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4835	0.005	2	110.4835	0.000	2	111.1235	0.557	10	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9970	0.031	4	110.9970	0.001	4	111.1235	0.557	10	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0290	0.025	2	111.0290	0.001	2	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9853	0.038	3	110.9853	0.001	3	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8330	0.318	4	110.8598	0.031	28	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7860	0.094	10	110.8598	0.031	28	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9357	0.304	4	110.8598	0.031	28	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9333	0.075	8	110.8598	0.031	28	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8370	0.007	2	110.8598	0.031	28	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0035	0.015	2	111.0373	0.002	4	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0710	0.007	2	111.0373	0.002	4	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9821	0.138	28	110.9821	0.019	28	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0648	0.089	4	111.0648	0.008	4	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4110	0.020	2	111.4110	0.000	2	110.9552	0.031	71	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3257	0.050	6	111.3257	0.003	6	111.1021	0.108	16	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|P<4>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H){1|Rh<4>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6183	0.075	4	110.6183	0.006	4	111.1021	0.108	16	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2080	0.010	2	111.2080	0.000	2	111.1021	0.108	16	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9265	0.019	2	110.9265	0.000	2	111.1021	0.108	16	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4690	0.038	2	111.4690	0.001	2	111.1021	0.108	16	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.5558	0.068	4	111.5558	0.005	4	111.3407	0.464	6	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9105	1.323	2	110.9105	1.750	2	111.3407	0.464	6	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4570	0.038	2	111.4570	0.001	2	111.0121	0.079	9	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8850	0.142	7	110.8850	0.020	7	111.0121	0.079	9	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.5455	0.030	12	110.5455	0.001	12	110.6511	0.068	20	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4745	0.106	4	110.4745	0.011	4	110.6511	0.068	20	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2205	0.009	2	111.2205	0.000	2	110.6511	0.068	20	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0685	0.022	2	111.0685	0.000	2	110.6511	0.068	20	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7230	0.044	2	110.7230	0.002	2	110.6737	0.035	7	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8120	0.078	3	110.8120	0.006	3	110.6737	0.035	7	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4170	0.055	2	110.4170	0.003	2	110.6737	0.035	7	110.8142	0.377	201	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9364	0.106	7	110.9364	0.011	7	111.0178	0.020	11	110.9164	0.061	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1535	0.011	2	111.1603	0.000	4	111.0178	0.020	11	110.9164	0.061	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1670	0.023	2	111.1603	0.000	4	111.0178	0.020	11	110.9164	0.061	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5443	0.191	3	110.5443	0.037	3	110.5443	0.037	3	110.9164	0.061	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,4|O<2>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5950	0.011	2	110.5232	0.007	4	110.5232	0.007	4	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,4|O<2>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4515	0.005	2	110.5232	0.007	4	110.5232	0.007	4	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){6|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.2315	0.041	4	110.2315	0.002	4	110.2315	0.002	4	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.4730	0.000	1	110.8757	0.122	3	110.8757	0.122	3	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0770	0.024	2	110.8757	0.122	3	110.8757	0.122	3	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.9398	0.079	4	110.9398	0.006	4	110.9398	0.006	4	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H){4|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.3655	1.455	2	111.3655	2.116	2	111.3655	2.116	2	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5975	0.005	2	110.5975	0.000	2	110.5975	0.000	2	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	109.8985	0.033	2	109.8985	0.001	2	110.3312	0.259	4	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7640	0.165	2	110.7640	0.027	2	110.3312	0.259	4	110.6372	0.267	23	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9048	0.026	4	110.9048	0.001	4	110.9048	0.001	4	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]2H)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]2H)	110.5055	0.030	2	110.5055	0.001	2	110.5055	0.001	2	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,4|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8950	0.000	1	110.8950	0.000	1	110.9490	0.004	3	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){5|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9760	0.062	2	110.9760	0.004	2	110.9490	0.004	3	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5530	0.045	2	110.5530	0.002	2	110.5530	0.002	2	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2{2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.3575	0.035	2	110.3575	0.001	2	110.3575	0.001	2	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0820	0.052	2	111.0820	0.003	2	111.3353	0.039	6	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4620	0.018	4	111.4620	0.000	4	111.3353	0.039	6	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0770	0.049	2	111.0770	0.002	2	111.0770	0.002	2	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7310	0.044	2	110.7310	0.002	2	110.4826	0.027	8	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.3370	0.008	2	110.3998	0.005	6	110.4826	0.027	8	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.4313	0.066	4	110.3998	0.005	6	110.4826	0.027	8	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.2090	0.000	1	110.2090	0.000	1	110.7204	0.060	7	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7905	0.046	2	110.7482	0.003	4	110.7204	0.060	7	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7060	0.006	2	110.7482	0.003	4	110.7204	0.060	7	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9205	0.064	2	110.9205	0.004	2	110.7204	0.060	7	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.1660	1.187	2	110.1660	1.408	2	110.1660	1.408	2	110.7626	0.171	39	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5,6]H)	110.8660	0.011	2	110.9622	0.012	4	110.9622	0.012	4	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.0585	0.012	2	110.9622	0.012	4	110.9622	0.012	4	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[5]C[5,6]2H)	110.8600	0.006	2	110.9520	0.012	4	110.9416	0.022	15	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[5]C[5,6]2H)	111.0440	0.048	2	110.9520	0.012	4	110.9416	0.022	15	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	111.0470	0.000	1	110.9378	0.027	11	110.9416	0.022	15	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	110.9269	0.169	10	110.9378	0.027	11	110.9416	0.022	15	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5353	0.192	15	110.5719	0.043	17	110.5719	0.043	17	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8460	0.030	2	110.5719	0.043	17	110.5719	0.043	17	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.5215	0.025	2	110.5215	0.001	2	110.5215	0.001	2	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3000	0.017	3	111.3000	0.000	3	111.0880	0.099	7	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6315	0.005	2	110.6315	0.000	2	111.0880	0.099	7	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2265	0.035	2	111.2265	0.001	2	111.0880	0.099	7	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3760	0.044	4	110.3760	0.002	4	110.3760	0.002	4	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7335	0.045	2	110.7335	0.002	2	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2{1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	H(C[5]C[5,6]C[5]H)	110.3730	0.006	4	110.3730	0.000	4	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4490	0.000	1	111.4490	0.000	1	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7325	0.005	2	110.7325	0.000	2	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5845	0.019	2	110.5845	0.000	2	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0380	0.039	3	111.0380	0.002	3	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0640	0.027	2	111.0640	0.001	2	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0290	0.000	1	111.0290	0.000	1	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1955	0.035	2	111.1955	0.001	2	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7900	0.010	2	110.7900	0.000	2	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9865	0.021	2	111.0327	0.003	4	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0790	0.014	2	111.0327	0.003	4	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7180	0.006	2	110.7180	0.000	2	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1860	0.013	3	111.3541	0.030	7	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4802	0.098	4	111.3541	0.030	7	110.9509	0.113	34	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5255	0.551	4	110.5255	0.303	4	110.7890	0.349	6	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3160	0.007	2	111.3160	0.000	2	110.7890	0.349	6	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,6|H<1>}	H(C[5]C[5,6]N[5]H)	111.7690	0.010	2	111.7690	0.000	2	111.7690	0.000	2	110.8642	0.134	92	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<2>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	112.9425	1.521	2	109.8028	8.652	16	109.8028	8.652	16	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	109.3828	4.523	4	109.8028	8.652	16	109.8028	8.652	16	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	109.6463	2.273	4	109.8028	8.652	16	109.8028	8.652	16	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{4|C<4>,5|H<1>}	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	109.1407	2.343	6	109.8028	8.652	16	109.8028	8.652	16	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2{4|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	109.8313	3.702	4	109.8313	13.705	4	109.8313	13.705	4	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	110.9450	0.031	2	110.9450	0.001	2	110.9450	0.001	2	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4547	0.060	3	111.4547	0.004	3	111.4547	0.004	3	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<3>,1|O<2>,1|S<4>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8575	0.008	2	110.8575	0.000	2	109.7003	4.160	4	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	108.5430	2.669	2	108.5430	7.122	2	109.7003	4.160	4	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2{2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5250	0.034	2	110.5250	0.001	2	110.3148	0.037	6	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(O[6]C[6])2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(O[6]C[6])2{1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.2097	0.128	4	110.2097	0.016	4	110.3148	0.037	6	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2{1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5540	0.143	2	110.5540	0.020	2	110.5540	0.020	2	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0760	0.208	2	111.0760	0.043	2	111.2138	0.372	10	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7780	0.211	2	110.7780	0.044	2	111.2138	0.372	10	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.9110	1.329	2	111.9110	1.767	2	111.2138	0.372	10	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0050	0.049	2	111.1520	0.030	4	111.2138	0.372	10	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2990	0.010	2	111.1520	0.030	4	111.2138	0.372	10	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9850	0.000	1	111.1545	0.057	2	111.1394	0.026	7	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3240	0.000	1	111.1545	0.057	2	111.1394	0.026	7	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0317	0.091	3	111.0317	0.008	3	111.1394	0.026	7	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5]){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2860	0.034	2	111.2860	0.001	2	111.1394	0.026	7	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2595	0.051	4	111.2595	0.003	4	111.2595	0.003	4	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|Fe<7>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1185	0.035	2	111.1185	0.001	2	111.0185	0.014	4	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9185	0.016	2	110.9185	0.000	2	111.0185	0.014	4	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	112.2470	1.260	2	112.2470	1.588	2	112.2470	1.588	2	110.5928	3.509	64	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2{2|H<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH){5|C<4>,5|H<1>,5|O<2>}	H(C[5]C[5,6]2H)	110.4697	0.061	3	110.4697	0.004	3	110.4697	0.004	3	110.4920	0.008	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	110.4920	0.008	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5820	0.011	2	110.5820	0.000	2	110.5820	0.000	2	110.4920	0.008	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H){1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[3,5,6]C[5,6]H)	112.2640	0.055	2	112.2640	0.003	2	112.2640	0.003	2	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>,2|O<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,3x6]C[5,6]H)	110.9415	0.046	2	111.3810	0.258	4	111.3810	0.258	4	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|O<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,3x6]C[5,6]H)	111.8205	0.012	2	111.3810	0.258	4	111.3810	0.258	4	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.6605	0.029	4	110.6605	0.001	4	110.6605	0.001	4	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	110.5375	0.028	2	110.5375	0.001	2	110.5375	0.001	2	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1560	0.105	4	111.1560	0.011	4	111.1560	0.011	4	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.9774	0.099	10	110.9774	0.010	10	110.9774	0.010	10	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,6]2H)	110.9410	0.018	2	110.9410	0.000	2	110.9410	0.000	2	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	110.7095	0.025	2	110.7095	0.001	2	110.4903	0.932	15	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	109.3515	1.185	4	109.6953	1.127	6	110.4903	0.932	15	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	110.3830	0.016	2	109.6953	1.127	6	110.4903	0.932	15	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]2H)	111.4075	0.024	4	111.1091	0.142	7	110.4903	0.932	15	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]2H)	110.7113	0.100	3	111.1091	0.142	7	110.4903	0.932	15	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.9635	0.073	2	110.9635	0.005	2	111.2548	2.083	6	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	111.4005	1.840	4	111.4005	3.386	4	111.2548	2.083	6	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	107.8500	1.575	2	107.8500	2.482	2	110.7224	1.131	21	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	110.4603	0.048	4	110.4603	0.002	4	110.7224	1.131	21	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]2H)	111.1762	0.161	12	111.1762	0.026	12	110.7224	1.131	21	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)2(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]2H)	111.2080	0.000	1	111.1720	0.001	3	110.7224	1.131	21	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)2(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	111.1540	0.010	2	111.1720	0.001	3	110.7224	1.131	21	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:Cl-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]Cl)	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0943	0.034	3	111.0943	0.001	3	111.0943	0.001	3	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.4405	0.023	2	111.4405	0.001	2	111.4405	0.001	2	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.6370	0.000	1	111.6370	0.000	1	110.3179	5.045	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0935	0.052	2	111.0935	0.003	2	110.3179	5.045	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5703	0.058	3	109.7060	8.154	7	110.3179	5.045	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	109.0577	3.873	4	109.7060	8.154	7	110.3179	5.045	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0245	0.030	2	111.0245	0.001	2	110.3179	5.045	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9895	0.019	2	110.9895	0.000	2	110.9603	0.086	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3100	0.095	4	111.3100	0.009	4	110.9603	0.086	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7925	0.013	4	110.7925	0.000	4	110.9603	0.086	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5675	0.035	2	110.5675	0.001	2	110.9603	0.086	12	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2360	0.033	2	111.2360	0.001	2	111.2360	0.001	2	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0285	0.022	2	111.1290	0.014	4	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2295	0.005	2	111.1290	0.014	4	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7105	0.006	2	110.7105	0.000	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5455	0.037	2	110.5455	0.001	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5408	1.239	6	110.5408	1.535	6	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8370	0.000	1	110.8370	0.000	1	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.9485	0.032	2	109.9485	0.001	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3390	0.010	2	110.3390	0.000	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4900	0.444	4	110.5878	0.075	10	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){1|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6530	0.066	6	110.5878	0.075	10	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.1450	0.690	2	110.0761	1.133	8	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.0532	1.220	6	110.0761	1.133	8	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	112.1645	0.202	2	111.5110	0.583	4	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8575	0.006	2	111.5110	0.583	4	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7155	0.033	4	110.7013	0.063	8	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.6870	0.383	4	110.7013	0.063	8	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.6395	0.006	2	110.6395	0.000	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.0675	1.696	2	110.0675	2.878	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9270	0.024	2	110.9790	0.013	26	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9944	0.134	18	110.9790	0.013	26	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9500	0.034	6	110.9790	0.013	26	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1142	0.117	4	111.1142	0.014	4	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9167	0.146	12	110.9049	0.041	18	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|N<3>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.5735	0.054	2	110.9049	0.041	18	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0353	0.232	4	110.9049	0.041	18	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1445	0.025	2	111.1445	0.001	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2910	0.008	2	111.2910	0.000	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2325	0.043	2	110.2325	0.002	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8230	0.025	2	110.8230	0.001	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>}	H(C[5]C[5,6]C[5]H)	110.8160	0.030	2	110.8160	0.001	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2285	0.013	2	111.2285	0.000	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1905	0.005	2	111.1905	0.000	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0445	0.019	2	111.0445	0.000	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4065	0.064	2	111.4065	0.004	2	110.8050	0.318	119	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9888	0.128	4	110.8962	0.036	19	110.9163	0.037	22	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9317	0.066	4	110.8962	0.036	19	110.9163	0.037	22	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8670	0.250	9	110.8962	0.036	19	110.9163	0.037	22	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|Ni<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7710	0.072	2	110.8962	0.036	19	110.9163	0.037	22	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9330	0.007	2	110.9330	0.000	2	110.9163	0.037	22	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2660	0.000	1	111.2660	0.000	1	110.9163	0.037	22	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0630	0.040	2	111.0630	0.002	2	111.0455	0.001	4	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0280	0.027	2	111.0280	0.001	2	111.0455	0.001	4	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:N[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5,6]H)	110.5640	0.034	2	110.5640	0.001	2	110.5640	0.001	2	110.8279	0.628	250	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.1280	0.010	2	111.2348	0.015	4	111.2205	0.010	6	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3415	0.011	2	111.2348	0.015	4	111.2205	0.010	6	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1920	0.018	2	111.1920	0.000	2	111.2205	0.010	6	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.3520	0.037	2	111.3520	0.001	2	111.3520	0.001	2	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.3385	0.019	2	110.3385	0.000	2	110.3385	0.000	2	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6780	0.006	2	110.6780	0.000	2	110.6780	0.000	2	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.6977	0.105	3	110.6977	0.011	3	110.6977	0.011	3	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH){3|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.4645	0.013	2	110.4645	0.000	2	110.9208	0.118	10	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.6830	0.028	2	110.6830	0.001	2	110.9208	0.118	10	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4100	0.013	2	111.4100	0.000	2	110.9208	0.118	10	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9705	0.005	2	110.9705	0.000	2	110.9208	0.118	10	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0760	0.017	2	111.0760	0.000	2	110.9208	0.118	10	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.9725	0.599	2	111.9725	0.359	2	111.9725	0.359	2	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3370	0.037	2	110.3370	0.001	2	110.3370	0.001	2	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9205	0.027	4	110.9205	0.001	4	110.9205	0.001	4	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6]){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8190	0.028	2	110.8190	0.001	2	110.8190	0.001	2	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2465	0.883	14	111.2465	0.780	14	111.2465	0.780	14	111.0398	0.353	50	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2{2|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2{2|C<4>,8|C<3>}	H(C[5]C[5,5,6]C[5,6]H)	110.1960	0.049	2	110.1960	0.002	2	110.1960	0.002	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]2N[5])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>,4|O<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2{3|C<4>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.4605	0.022	2	110.4605	0.000	2	110.4605	0.000	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)2(H)2	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)2(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,6]2H)	110.6743	0.036	4	110.6743	0.001	4	110.6873	0.004	7	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)2(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)2(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH){1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]2H)	110.7047	0.090	3	110.7047	0.008	3	110.6873	0.004	7	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:N-3:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0415	0.040	2	111.0415	0.002	2	111.0415	0.002	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5650	0.007	2	110.5650	0.000	2	110.3317	0.163	3	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.8650	0.000	1	109.8650	0.000	1	110.3317	0.163	3	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7927	0.243	21	110.7927	0.059	21	110.7927	0.059	21	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	109.6770	4.079	2	109.6770	16.635	2	110.1618	3.190	13	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.3392	1.416	6	109.3392	2.005	6	110.1618	3.190	13	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.2313	0.110	3	111.2313	0.012	3	110.1618	3.190	13	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO){1|Br<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.5100	0.030	2	111.5100	0.001	2	110.1618	3.190	13	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7595	0.039	2	110.7595	0.002	2	110.7595	0.002	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3510	0.034	2	110.3510	0.001	2	110.4757	0.008	7	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5060	0.038	3	110.5060	0.001	3	110.4757	0.008	7	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5550	0.008	2	110.5550	0.000	2	110.4757	0.008	7	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8255	0.039	2	110.8255	0.002	2	110.8255	0.002	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6485	0.014	4	110.6485	0.000	4	110.5792	0.096	25	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7660	0.025	4	110.7660	0.001	4	110.5792	0.096	25	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1945	0.018	2	110.1945	0.000	2	110.5792	0.096	25	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1080	0.581	2	110.1080	0.338	2	110.5792	0.096	25	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O){1|S<4>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6065	0.050	2	110.6065	0.003	2	110.5792	0.096	25	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9068	0.234	5	110.9068	0.055	5	110.5792	0.096	25	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4118	0.162	6	110.4118	0.026	6	110.5792	0.096	25	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1945	0.029	2	111.1945	0.001	2	111.1945	0.001	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1255	0.059	2	111.1255	0.003	2	111.1255	0.003	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	109.9320	0.053	4	109.9320	0.003	4	110.4780	0.176	12	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6953	0.184	4	110.6953	0.034	4	110.4780	0.176	12	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8520	0.017	2	110.8520	0.000	2	110.4780	0.176	12	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7615	0.039	2	110.7615	0.002	2	110.4780	0.176	12	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5235	0.021	2	110.5235	0.000	2	110.5235	0.000	2	110.5788	0.482	105	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.8270	0.038	2	110.8270	0.001	2	110.8270	0.001	2	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2{1|O<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.7760	0.048	2	110.7760	0.002	2	110.7760	0.002	2	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.5690	2.440	2	109.5690	5.951	2	109.5690	5.951	2	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	109.6845	2.332	4	109.6845	5.439	4	110.4998	1.908	12	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1958	0.053	4	111.1958	0.003	4	110.4998	1.908	12	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6190	0.057	4	110.6190	0.003	4	110.4998	1.908	12	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.3735	0.129	4	110.3735	0.017	4	110.3735	0.017	4	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,2|C<3>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9290	0.038	2	110.8637	0.003	8	110.8637	0.003	8	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,3|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8560	0.033	4	110.8637	0.003	8	110.8637	0.003	8	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8140	0.023	2	110.8637	0.003	8	110.8637	0.003	8	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.2327	0.093	3	110.2327	0.009	3	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3335	0.008	2	110.3335	0.000	2	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.4360	0.517	4	110.4360	0.267	4	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.7357	1.751	6	109.7357	3.066	6	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH){1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5915	0.012	2	110.5915	0.000	2	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7115	0.022	2	110.7115	0.000	2	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1490	0.013	2	111.1490	0.000	2	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2780	0.000	1	110.6520	0.105	3	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8390	0.008	2	110.6520	0.105	3	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5870	0.017	2	110.5870	0.000	2	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1833	0.682	4	111.1833	0.465	4	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4128	0.072	4	110.4128	0.005	4	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0790	0.000	1	111.0790	0.000	1	110.4863	0.730	35	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8585	0.037	2	110.8585	0.001	2	110.8585	0.001	2	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:Si-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7378	0.026	6	110.7378	0.001	6	110.7378	0.001	6	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5985	0.130	4	110.6884	0.035	25	110.7164	0.038	28	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9350	0.058	4	110.6884	0.035	25	110.7164	0.038	28	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7103	0.200	9	110.6884	0.035	25	110.7164	0.038	28	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Ni<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7690	0.044	2	110.6884	0.035	25	110.7164	0.038	28	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Pd<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5243	0.041	6	110.6884	0.035	25	110.7164	0.038	28	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9497	0.056	3	110.9497	0.003	3	110.7164	0.038	28	110.5938	0.571	101	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[5]C[3,5,6]C[5,6]H)	112.1206	0.055	5	112.1206	0.003	5	112.1206	0.003	5	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[3,5,6]C[5,6]H)	111.5495	1.511	2	111.5495	2.283	2	111.5495	2.283	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5,6]H)	110.4860	0.023	4	110.4860	0.001	4	110.4860	0.001	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[3x5,6]C[5,6]H)	110.6055	1.813	4	110.6055	3.287	4	110.9868	2.982	6	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[3x5,6]C[5,6]H)	111.7495	1.818	2	111.7495	3.305	2	110.9868	2.982	6	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	H(C[5]C[4,5,6]C[5,6]Cl)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	H(C[5]C[4,5,6]C[5,6]Cl)	108.7780	0.000	1	108.4650	0.075	3	108.4650	0.075	3	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	H(C[5]C[4,5,6]C[5,6]Cl)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	H(C[5]C[4,5,6]C[5,6]Cl)	108.3085	0.059	2	108.4650	0.075	3	108.4650	0.075	3	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,3x6]C[5,6]H)	111.1833	0.058	3	111.1833	0.003	3	111.2946	0.025	5	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,3x6]C[5,6]H)	111.4615	0.012	2	111.4615	0.000	2	111.2946	0.025	5	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H)	H(C[5]C[5,5,6,6]C[5,6]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H){1|O<2>,2|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6,6]C[5,6]H)	111.3720	0.079	2	111.3720	0.006	2	111.3720	0.006	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.5235	0.005	2	110.5499	0.024	9	110.5011	0.137	14	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.5087	0.022	4	110.5499	0.024	9	110.5011	0.137	14	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	110.4540	0.006	2	110.5499	0.024	9	110.5011	0.137	14	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.9590	0.000	1	110.5499	0.024	9	110.5011	0.137	14	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.3290	0.037	2	110.3290	0.001	2	110.5011	0.137	14	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	111.0580	0.000	1	111.0580	0.000	1	110.5011	0.137	14	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	110.1750	0.989	2	110.1750	0.977	2	110.5011	0.137	14	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.6775	0.846	2	110.6775	0.716	2	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.6050	0.048	2	110.6050	0.002	2	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7330	0.025	2	110.7330	0.001	2	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.8980	0.000	1	110.8980	0.000	1	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.5993	0.080	9	110.5993	0.006	9	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<2>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.0840	0.000	1	111.0840	0.000	1	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.6425	0.045	2	110.6425	0.002	2	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1535	0.043	2	111.1535	0.002	2	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.7975	0.011	2	110.7975	0.000	2	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9845	3.753	2	111.0865	2.846	6	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1375	0.199	4	111.0865	2.846	6	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.6570	0.021	2	111.6570	0.000	2	110.8525	0.592	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.6780	0.030	2	110.6780	0.001	2	110.6780	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5,6]H)	110.8774	0.092	5	110.8774	0.008	5	110.8774	0.008	5	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	110.6877	0.041	7	110.7288	0.004	11	110.7814	0.045	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	110.8155	0.016	2	110.7288	0.004	11	110.7814	0.045	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	110.7860	0.004	2	110.7288	0.004	11	110.7814	0.045	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	110.8392	0.297	10	110.8392	0.088	10	110.7814	0.045	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[3,5]C[5,6]H)	111.4039	0.061	13	111.4043	0.003	20	111.4043	0.003	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[3,5]C[5,6]H)	111.4206	0.046	5	111.4043	0.003	20	111.4043	0.003	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[3,5]C[5,6]H)	111.3665	0.009	2	111.4043	0.003	20	111.4043	0.003	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2{1|O<1>,3|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[3,5]C[5,6]H)	110.6235	2.024	2	110.6235	4.098	2	110.6235	4.098	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2{2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	110.7113	0.141	8	110.7113	0.020	8	110.7113	0.020	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	109.2855	0.442	2	109.2855	0.195	2	109.2855	0.195	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2{1|C<3>,1|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){2|C<3>,3|C<4>,3|O<2>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	H(C[5]C[5,5]C[5,6]H)	111.2350	0.067	8	111.2350	0.004	8	111.2350	0.004	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.6117	0.361	7	110.6117	0.130	7	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2325	0.042	2	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1963	0.106	7	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.3510	0.000	1	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2045	0.066	2	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2150	0.112	6	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1165	0.062	2	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.4714	0.191	17	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.3703	0.188	40	111.3499	0.037	77	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.7225	0.019	2	111.7225	0.000	2	111.2985	0.088	86	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2{1|O<1>,2|H<1>,3|O<2>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	111.3545	0.090	4	111.3545	0.008	4	111.3204	0.020	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.1215	0.005	2	111.1215	0.000	2	111.3204	0.020	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.4510	0.023	2	111.4510	0.001	2	111.3204	0.020	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	110.4913	0.060	9	110.4913	0.004	9	110.4241	0.020	22	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	110.3715	0.100	2	110.3715	0.010	2	110.4241	0.020	22	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	H(C[5]C[5,6]2H)	110.7070	0.018	2	110.3786	0.031	11	110.4241	0.020	22	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(C[5]C[5,6]2H)	110.3316	0.060	7	110.3786	0.031	11	110.4241	0.020	22	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<4>,4|H<1>,4|O<2>,6|C<4>}	H(C[5]C[5,6]2H)	110.2150	0.065	2	110.3786	0.031	11	110.4241	0.020	22	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	110.4940	0.006	2	110.0150	2.571	9	110.0150	2.571	9	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>,4|O<2>}	H(C[5]C[5,6]2H)	110.8490	0.021	2	110.0150	2.571	9	110.0150	2.571	9	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	109.2823	2.344	4	110.0150	2.571	9	110.0150	2.571	9	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	110.3200	0.000	1	110.0150	2.571	9	110.0150	2.571	9	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	110.4390	0.027	2	110.4390	0.001	2	110.4390	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	110.4975	0.035	2	110.3708	0.022	4	110.3708	0.022	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(C[5]C[5,6]2H)	110.2440	0.035	2	110.3708	0.022	4	110.3708	0.022	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	111.0735	0.006	2	111.0735	0.000	2	111.0735	0.000	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.7775	0.076	2	110.7775	0.006	2	110.7696	0.021	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]2H)	110.8055	0.023	2	110.8055	0.001	2	110.7696	0.021	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2{1|Br<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	110.5670	0.023	2	110.5670	0.001	2	110.7696	0.021	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.9285	0.060	2	110.9285	0.004	2	110.7696	0.021	8	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]2H)	108.9885	5.187	2	108.9885	26.901	2	108.9885	26.901	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	110.9510	0.004	2	110.9510	0.000	2	110.9510	0.000	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	110.3680	0.017	2	110.4752	0.012	16	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	110.4905	0.106	14	110.4752	0.012	16	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	110.3070	0.031	2	110.3070	0.001	2	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	110.9000	0.021	2	110.9327	0.002	4	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	110.9655	0.033	2	110.9327	0.002	4	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	110.7405	0.016	2	110.7405	0.000	2	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	111.0060	0.025	2	111.0060	0.001	2	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]2H)	111.0554	0.136	7	111.0554	0.019	7	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]2H)	110.9756	0.177	7	110.9756	0.031	7	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]2H)	110.6310	0.045	2	110.6310	0.002	2	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]2H)	112.2335	2.545	2	112.2335	6.476	2	110.8042	0.329	44	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2{1|O<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.7870	0.000	1	110.7870	0.000	1	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	110.9180	0.018	2	110.9290	0.001	6	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]2H)	110.9290	0.049	2	110.9290	0.001	6	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	110.9400	0.011	2	110.9290	0.001	6	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	111.0310	0.020	2	110.9438	0.042	13	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	110.9280	0.219	11	110.9438	0.042	13	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	111.4665	0.030	2	111.1248	0.100	6	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	110.9540	0.224	4	111.1248	0.100	6	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	H(C[5]C[5,6]2H)	111.1350	0.312	6	111.1350	0.097	6	111.0059	0.058	32	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	110.9265	0.026	2	110.9265	0.001	2	110.9265	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H)	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]Cl)	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	H(C[5]C[5,6]C[5]F)	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	H(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]F)	109.9528	0.503	4	109.9528	0.253	4	109.9528	0.253	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{3|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8335	0.023	2	110.8335	0.001	2	110.8335	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7225	0.045	4	110.7225	0.002	4	110.7225	0.002	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7960	0.028	2	110.7960	0.001	2	110.7960	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	109.5975	0.414	2	109.5975	0.171	2	110.4835	1.104	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.3695	0.019	2	111.3695	0.000	2	110.4835	1.104	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.9657	0.069	4	110.9657	0.005	4	110.9657	0.005	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.4990	0.007	2	111.4990	0.000	2	111.4990	0.000	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2937	0.543	3	111.0396	0.268	5	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6585	0.018	2	111.0396	0.268	5	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.1240	1.960	2	110.1240	3.842	2	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5095	0.530	4	110.5095	0.281	4	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4218	0.023	4	110.4426	0.611	8	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	109.9965	0.217	2	110.4426	0.611	8	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9305	1.831	2	110.4426	0.611	8	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8265	0.023	2	110.8265	0.001	2	110.6037	0.589	21	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9955	0.045	2	110.9955	0.002	2	110.9955	0.002	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9820	0.021	2	110.9820	0.000	2	110.9820	0.000	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	H(C[5]C[5,6]C[5]H)	110.9483	0.048	4	110.9483	0.002	4	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2400	0.013	2	111.2400	0.000	2	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3670	0.014	2	111.3670	0.000	2	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2125	0.013	2	111.2125	0.000	2	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1920	0.030	2	110.1920	0.001	2	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7870	0.000	1	110.7870	0.000	1	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.7862	0.493	8	111.7862	0.243	8	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8392	0.024	4	110.8392	0.001	4	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1830	0.023	2	111.1830	0.001	2	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1710	0.000	1	111.1710	0.000	1	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8847	0.066	7	110.8847	0.004	7	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	112.2535	0.274	2	111.3683	1.070	4	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4830	0.006	2	111.3683	1.070	4	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8580	0.004	2	110.8580	0.000	2	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3365	0.161	10	111.3058	0.026	12	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1525	0.013	2	111.3058	0.026	12	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.4775	0.032	2	111.4775	0.001	2	111.1963	0.229	55	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.4185	0.025	2	111.4185	0.001	2	111.4185	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7260	0.011	2	110.7260	0.000	2	110.5350	3.024	11	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.7750	2.926	4	109.7750	8.561	4	110.5350	3.024	11	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.6045	0.009	2	110.6045	0.000	2	110.5350	3.024	11	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.2825	0.026	2	111.2825	0.001	2	110.5350	3.024	11	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.5590	0.000	1	111.5590	0.000	1	110.5350	3.024	11	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.0830	0.017	2	110.9032	0.043	4	110.9032	0.043	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7235	0.006	2	110.9032	0.043	4	110.9032	0.043	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|O<2>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8880	0.013	2	110.8880	0.000	2	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,1|O<1>,5|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.8310	0.010	2	110.8310	0.000	2	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){2|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	111.1230	0.018	2	111.2215	0.013	4	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.3200	0.035	2	111.2215	0.013	4	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.3840	0.044	2	111.3840	0.002	2	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.1770	0.018	2	111.1770	0.000	2	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9585	0.071	2	110.7062	0.276	8	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7885	0.178	4	110.7062	0.276	8	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.2895	1.152	2	110.7062	0.276	8	110.9548	0.171	20	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:Br-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0395	0.015	2	111.0395	0.000	2	111.0395	0.000	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5950	0.006	4	110.5950	0.000	4	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8063	0.563	4	110.8063	0.317	4	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4475	0.022	2	110.4475	0.000	2	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.4483	0.101	4	110.4483	0.010	4	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.2635	0.015	2	109.2878	2.682	10	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	109.0680	2.275	4	109.2878	2.682	10	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	109.0198	1.440	4	109.2878	2.682	10	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7505	0.021	2	110.7505	0.000	2	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4635	0.008	2	110.4635	0.000	2	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5965	0.005	2	110.5965	0.000	2	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8920	0.030	2	110.8920	0.001	2	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6450	0.010	2	110.6450	0.000	2	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8210	0.020	2	110.8210	0.000	2	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	112.2298	0.632	6	112.2298	0.399	6	110.5449	1.483	42	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.3320	0.000	1	110.2757	0.003	3	110.2757	0.003	3	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.2475	0.046	2	110.2757	0.003	3	110.2757	0.003	3	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4135	0.030	2	110.4135	0.001	2	110.8715	0.116	12	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5400	0.023	2	110.5400	0.001	2	110.8715	0.116	12	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7300	0.021	2	110.7300	0.000	2	110.8715	0.116	12	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1965	0.067	4	111.1965	0.005	4	110.8715	0.116	12	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1525	0.022	2	111.1525	0.000	2	110.8715	0.116	12	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.0555	2.849	4	110.0555	8.116	4	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(H){3|H<1>,7|C<4>}	H(C[5]C[5,6]C[5]H)	111.1570	2.147	4	111.1570	4.608	4	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6265	1.200	4	110.6265	1.441	4	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2100	0.000	1	111.2100	0.000	1	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3925	0.019	2	114.2910	76.640	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	120.8320	18.366	2	114.2910	76.640	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	112.4698	5.276	4	114.2910	76.640	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.3500	0.011	2	111.3500	0.000	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|S<3>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.4923	1.293	9	111.4923	1.673	9	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6585	0.008	2	110.6585	0.000	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1490	0.076	2	111.1490	0.006	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8965	0.011	2	110.8965	0.000	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6435	0.139	2	110.4899	0.892	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9310	0.038	2	110.4899	0.892	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.1925	1.346	4	110.4899	0.892	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.5400	0.044	2	111.5400	0.002	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8510	0.040	2	110.8510	0.002	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5840	0.025	2	110.5840	0.001	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.6490	0.000	2	110.6490	0.000	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2165	0.018	2	111.3034	0.802	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3370	0.075	4	111.3034	0.802	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.3230	2.362	2	111.3034	0.802	8	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9567	0.060	10	110.9567	0.004	10	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9000	0.033	2	110.9000	0.001	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	111.0150	0.054	2	111.0150	0.003	2	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	H(C[5]C[5,6]C[5]H)	110.4958	0.062	5	110.4958	0.004	5	111.2581	8.723	81	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7205	0.032	2	110.7205	0.001	2	110.7205	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7275	0.032	2	110.7275	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7592	0.076	4	110.7592	0.006	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5850	0.000	1	110.5850	0.000	1	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3290	0.034	2	110.3290	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0385	0.035	2	111.0385	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6845	0.033	2	110.6845	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6690	0.027	4	110.6690	0.001	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5100	0.018	2	110.5100	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7760	0.027	2	110.7760	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7610	0.000	1	110.7610	0.000	1	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<4>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.5535	0.011	2	110.5535	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8130	0.007	2	110.8130	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5127	0.130	3	110.5127	0.017	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4410	0.000	1	110.4410	0.000	1	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6600	0.000	1	110.6600	0.000	1	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6870	0.000	1	110.6870	0.000	1	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.7730	2.421	2	111.7730	5.862	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.7555	1.160	4	110.7555	1.346	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6310	0.011	2	110.6310	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.5740	0.017	2	110.5740	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8003	0.097	4	110.8003	0.009	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9420	0.006	2	110.9420	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8200	0.022	3	110.8200	0.000	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8190	0.047	2	110.8190	0.002	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8640	0.007	2	110.1785	0.741	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4025	0.008	2	110.1785	0.741	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	109.2690	1.004	2	110.1785	0.741	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7510	0.062	2	111.0368	0.103	17	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1999	0.224	11	111.0368	0.103	17	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7313	0.327	4	111.0368	0.103	17	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8250	0.031	2	111.0765	0.085	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3280	0.028	2	111.0765	0.085	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.2140	0.021	2	111.2140	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7738	0.041	5	110.7738	0.002	5	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2650	0.000	1	110.7525	0.100	13	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9265	0.757	2	110.7525	0.100	13	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9190	0.000	1	110.7525	0.100	13	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8065	0.021	2	110.7525	0.100	13	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4200	0.023	2	110.7525	0.100	13	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6893	0.016	3	110.7525	0.100	13	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6120	0.004	2	110.7525	0.100	13	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2000	0.874	2	110.9744	0.185	8	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0585	0.006	2	110.9744	0.185	8	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1010	0.013	2	110.9744	0.185	8	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5380	0.008	2	110.9744	0.185	8	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0623	0.036	4	111.0623	0.001	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8810	0.048	3	110.9181	0.014	14	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8690	0.000	1	110.9181	0.014	14	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8595	0.015	2	110.9181	0.014	14	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7315	0.008	2	110.9181	0.014	14	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0697	0.038	4	110.9181	0.014	14	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9400	0.021	2	110.9181	0.014	14	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	108.2680	2.854	2	108.2680	8.145	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	112.0580	0.503	2	111.4023	0.319	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1870	0.035	2	111.4023	0.319	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9620	0.011	2	111.4023	0.319	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9780	0.008	2	110.8545	0.058	10	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4180	0.004	2	110.8545	0.058	10	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9105	0.073	4	110.8545	0.058	10	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0555	0.005	2	110.8545	0.058	10	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8610	0.076	3	110.8610	0.006	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8065	3.556	2	110.7462	2.532	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7160	0.021	4	110.7462	2.532	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4910	0.045	2	110.4910	0.002	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2270	0.031	2	111.2270	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6165	0.016	2	110.6165	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6280	0.008	2	110.6280	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4653	0.068	3	110.4653	0.005	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.4585	2.323	2	111.4585	5.396	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0655	0.032	2	111.0655	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4387	0.200	4	110.4387	0.040	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1761	0.707	8	111.1761	0.501	8	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3800	0.035	3	111.3800	0.001	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3625	0.025	2	111.3625	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1993	0.019	3	111.1993	0.000	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6080	0.030	2	110.6080	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6150	0.038	2	110.5102	0.015	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4055	0.018	2	110.5102	0.015	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5295	0.006	2	110.5295	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8860	0.008	2	110.8860	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2870	0.056	4	111.2870	0.003	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7133	0.049	4	110.7133	0.002	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1880	0.052	4	111.2185	0.004	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2795	0.013	2	111.2185	0.004	6	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	113.7545	3.174	2	113.7545	10.076	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7115	0.023	2	110.7115	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0078	0.081	12	111.0109	0.023	17	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9910	0.378	3	111.0109	0.023	17	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.0600	0.035	2	111.0109	0.023	17	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.4215	2.129	2	111.0998	2.034	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7780	1.075	2	111.0998	2.034	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	114.0160	0.928	2	114.0160	0.861	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0505	0.013	2	111.2112	2.598	11	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3160	2.462	2	111.2112	2.598	11	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	112.5820	3.763	2	111.2112	2.598	11	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1460	0.000	1	111.2112	2.598	11	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3265	0.018	2	111.2112	2.598	11	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|W<7>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8135	0.005	2	111.2112	2.598	11	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3500	0.034	2	111.3500	0.001	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0598	0.030	4	111.0598	0.001	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7470	0.792	2	110.7470	0.627	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9520	0.016	2	110.9520	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9060	0.000	1	110.9563	0.003	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9815	0.045	2	110.9563	0.003	3	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1058	0.083	4	111.1058	0.007	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.4760	1.436	4	110.4760	2.063	4	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	111.1695	0.039	2	111.1695	0.002	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1690	0.006	2	110.1690	0.000	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|O<1>}	H(C[5]C[5,6]C[5]H)	110.1705	0.067	2	110.1705	0.005	2	110.9161	0.628	277	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0300	0.011	2	111.0300	0.000	2	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8868	0.233	4	110.8868	0.055	4	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5673	2.773	4	110.8509	0.791	38	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0200	0.055	2	110.8509	0.791	38	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9240	0.089	2	110.8509	0.791	38	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,1|S<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9771	0.185	8	110.8509	0.791	38	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	109.3975	0.573	2	110.8509	0.791	38	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9782	0.168	20	110.8509	0.791	38	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9850	0.028	2	110.9850	0.001	2	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3870	0.143	2	110.3870	0.020	2	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7730	0.035	2	110.7730	0.001	2	110.8446	0.612	50	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4190	0.040	2	110.4190	0.002	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5600	0.016	2	110.5600	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5407	0.030	3	110.5407	0.001	3	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7820	0.042	2	110.7820	0.002	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0705	0.043	2	111.0705	0.002	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9850	0.028	2	110.9850	0.001	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.2460	0.000	1	110.2460	0.000	1	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.5950	1.432	4	110.5950	2.051	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.9235	0.049	4	110.9235	0.002	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6553	0.085	3	110.6553	0.007	3	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.3648	0.035	4	110.3648	0.001	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1375	0.012	2	111.1375	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.2910	1.544	2	110.2910	2.385	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.6210	1.977	2	110.6210	3.909	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3425	0.014	4	110.3425	0.000	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2085	0.060	2	111.2085	0.004	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0605	0.045	2	111.1662	0.535	16	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1813	0.785	14	111.1662	0.535	16	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.5155	0.028	2	111.0550	0.283	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5945	0.035	2	111.0550	0.283	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7403	0.084	16	110.7403	0.007	16	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4025	2.782	4	110.4025	7.740	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9540	0.021	2	110.9540	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2560	0.095	3	111.2560	0.009	3	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7100	0.013	2	110.7100	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1465	0.037	2	110.8102	0.152	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4740	0.031	2	110.8102	0.152	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0500	0.010	2	111.0500	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3295	0.015	2	110.3295	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4150	0.024	2	110.4150	0.001	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4180	0.040	2	110.4180	0.002	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	112.4090	4.839	2	112.4090	23.420	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	H(C[5]C[5,6]C[5]H)	110.8655	0.005	2	110.8655	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1150	0.006	2	111.1150	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.8090	0.018	2	110.8090	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2740	0.041	2	111.2740	0.002	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1025	0.006	2	111.1025	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.1912	0.157	4	111.1912	0.025	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.3203	0.033	4	111.3203	0.001	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9255	0.005	2	110.9255	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.9074	0.303	30	110.9074	0.092	30	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0648	0.156	4	111.0648	0.024	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1705	0.021	2	111.1705	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1593	0.031	4	111.1593	0.001	4	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2393	0.079	3	111.2393	0.006	3	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3290	0.004	2	111.3290	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3075	0.047	2	111.3075	0.002	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4635	0.013	2	110.4635	0.000	2	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1400	0.171	3	110.1400	0.029	3	110.8841	0.530	174	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9390	0.038	2	110.9390	0.001	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2355	0.005	2	111.2355	0.000	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6000	0.030	2	110.6000	0.001	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7050	0.013	2	110.7050	0.000	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0367	0.214	6	111.0584	0.034	8	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1235	0.013	2	111.0584	0.034	8	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8645	0.040	2	110.8645	0.002	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2168	0.023	4	111.2168	0.001	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1240	0.000	1	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8835	0.169	8	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9469	0.119	12	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7120	0.136	4	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8620	0.516	2	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8498	0.053	4	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3630	0.135	4	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9915	1.307	2	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1830	0.020	2	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1329	0.271	14	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2420	0.013	2	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7585	0.029	2	111.0033	0.091	57	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2062	0.094	4	111.2062	0.009	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3420	0.007	2	111.3692	0.001	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3965	0.019	2	111.3692	0.001	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8675	0.054	2	110.4840	0.210	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.1005	0.197	2	110.4840	0.210	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1718	0.046	4	111.1718	0.002	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3825	2.234	2	110.3825	4.990	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1720	0.058	4	111.1720	0.003	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8535	0.008	2	110.8535	0.000	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7515	0.047	2	111.6498	3.175	9	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.9064	1.971	7	111.6498	3.175	9	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7560	0.078	4	110.7560	0.006	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0630	0.000	1	111.0630	0.000	1	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4438	1.356	6	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7290	0.023	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7980	0.041	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0180	0.000	1	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1216	1.506	63	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8564	0.555	36	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8520	0.028	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6670	0.024	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8932	0.052	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2525	0.036	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2682	0.114	11	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8795	1.565	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9195	0.005	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9177	0.113	16	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1924	1.155	7	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.5097	0.299	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2374	0.200	10	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8695	0.381	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9430	0.021	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9840	0.126	8	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0550	0.058	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9400	0.006	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.0391	0.584	34	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.0019	1.786	8	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9240	0.078	11	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8401	0.404	24	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9774	0.151	5	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2465	0.026	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1337	0.182	7	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2677	0.159	8	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2925	0.138	58	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2625	0.248	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.4465	0.047	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.5750	0.028	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.2445	0.644	101	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9237	0.079	3	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9715	0.212	6	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8745	1.062	80	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|I<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.1051	0.204	7	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8035	0.011	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.9919	0.946	58	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.1315	2.259	47	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0090	0.035	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9670	0.006	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8385	1.505	2	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0544	0.088	7	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	111.0361	0.185	138	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0660	0.140	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8781	0.299	52	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8410	0.191	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|N<3>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9455	0.042	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8311	0.827	172	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.9199	0.472	134	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5775	0.090	4	110.9933	0.697	1186	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9783	0.099	4	110.9783	0.010	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7135	0.029	2	110.7135	0.001	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7975	0.046	2	110.7975	0.002	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8342	0.132	4	110.8342	0.017	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0990	0.028	2	111.2391	0.634	15	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	113.1810	0.055	2	111.2391	0.634	15	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7465	0.009	2	111.2391	0.634	15	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9670	0.058	6	111.2391	0.634	15	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9107	0.107	3	111.2391	0.634	15	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5]C[5,6]C[5]H)	112.5555	0.319	2	112.5555	0.102	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2{6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6010	0.007	2	110.6010	0.000	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2845	0.071	2	111.2845	0.005	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4565	0.057	4	111.4565	0.003	4	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.4675	2.418	2	109.4675	5.845	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2{5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.6500	0.054	2	111.6500	0.003	2	111.0016	0.668	1344	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3960	2.625	4	110.4868	5.209	5	110.8466	1.501	16	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8500	0.000	1	110.4868	5.209	5	110.8466	1.501	16	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9123	0.116	3	110.9123	0.014	3	110.8466	1.501	16	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1030	0.016	2	111.2820	0.043	4	110.8466	1.501	16	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	111.4610	0.011	2	111.2820	0.043	4	110.8466	1.501	16	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8115	0.188	4	110.8115	0.035	4	110.8466	1.501	16	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	109.9294	0.853	31	109.9294	0.727	31	109.9294	0.727	31	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8067	0.093	3	110.8067	0.009	3	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7395	0.006	2	110.5983	0.099	15	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6735	0.265	4	110.5983	0.099	15	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5334	0.366	9	110.5983	0.099	15	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5510	0.035	2	110.6541	0.543	22	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5850	0.000	1	110.6541	0.543	22	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7230	0.053	4	110.6541	0.543	22	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5313	0.104	3	110.6541	0.543	22	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7826	0.126	8	110.6541	0.543	22	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4892	1.908	4	110.6541	0.543	22	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5270	0.561	2	110.5270	0.315	2	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5080	0.007	2	110.5080	0.000	2	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5642	0.135	6	110.5642	0.018	6	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5455	0.015	2	110.5455	0.000	2	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7120	0.018	2	110.7120	0.000	2	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7750	0.000	1	110.7750	0.000	1	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7865	0.018	2	110.7865	0.000	2	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7915	0.019	2	110.8600	0.008	6	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8150	0.017	2	110.8600	0.008	6	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9735	0.021	2	110.8600	0.008	6	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8365	0.050	2	110.8365	0.003	2	110.6606	0.217	65	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.8252	0.205	4	109.8252	0.042	4	109.8252	0.042	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<1>,2|C<4>,4|H<1>}	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8855	2.318	4	110.8855	5.375	4	110.8855	5.375	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	110.4475	0.026	2	110.4475	0.001	2	110.4475	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]P[5]H)	112.1662	1.738	4	112.1662	3.022	4	112.1662	3.022	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:S[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(S[5]N[5,5]OO)(H)2	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(S[5]N[5,5]OO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	H(C[5]C[5,6]S[5]H)	110.3205	0.033	2	110.3205	0.001	2	110.3205	0.001	2	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>,2|O<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<5>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6790	0.012	4	110.6790	0.000	4	110.6790	0.000	4	110.9425	0.906	2626	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[3x5]C[5,6]H)	108.8220	1.229	2	108.8220	1.510	2	110.1272	1.348	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2{1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[3x5]C[5,6]H)	110.7798	0.200	4	110.7798	0.040	4	110.1272	1.348	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[3,5]C[5,6]H)	110.5650	0.041	4	110.5650	0.002	4	110.5650	0.002	4	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.0430	0.000	1	111.0430	0.000	1	111.0430	0.000	1	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(C[5]C[5,6]2H)	110.1890	0.008	2	110.1890	0.000	2	110.1890	0.000	2	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	110.2910	0.016	2	110.2910	0.000	2	110.2910	0.000	2	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	110.2824	0.032	5	110.3707	0.014	11	110.3418	0.017	13	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	110.4443	0.114	6	110.3707	0.014	11	110.3418	0.017	13	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]2H)	110.1830	0.024	2	110.1830	0.001	2	110.3418	0.017	13	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]2H)	111.0640	0.025	4	111.0640	0.001	4	111.0640	0.001	4	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	109.0835	0.015	2	109.0835	0.000	2	109.0835	0.000	2	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	110.4115	0.022	2	110.5736	0.014	7	110.5736	0.014	7	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.6384	0.049	5	110.5736	0.014	7	110.5736	0.014	7	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9740	0.107	3	110.9740	0.012	3	110.9740	0.012	3	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8065	0.060	2	110.8065	0.004	2	110.7325	0.005	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7150	0.016	2	110.6955	0.001	4	110.7325	0.005	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6760	0.038	2	110.6955	0.001	4	110.7325	0.005	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[3,6]C[3,6]O[3]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	107.7515	0.514	2	107.7515	0.264	2	107.7515	0.264	2	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.7980	0.116	2	109.7980	0.013	2	110.1845	0.609	4	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5710	1.103	2	110.5710	1.217	2	110.1845	0.609	4	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4668	0.086	4	110.4668	0.007	4	110.4519	0.030	14	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6265	0.035	2	110.6265	0.001	2	110.4519	0.030	14	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5433	0.092	4	110.4997	0.010	6	110.4519	0.030	14	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.4125	0.011	2	110.4997	0.010	6	110.4519	0.030	14	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.1045	0.039	2	110.1045	0.002	2	110.4519	0.030	14	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0640	0.024	2	111.0640	0.001	2	111.0640	0.001	2	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7875	0.271	2	110.7875	0.073	2	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0365	0.016	2	111.0365	0.000	2	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7115	0.045	2	110.7979	0.004	10	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8525	0.018	2	110.7979	0.004	10	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8755	0.028	2	110.7979	0.004	10	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7710	0.024	2	110.7979	0.004	10	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7790	0.020	2	110.7979	0.004	10	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9410	0.006	2	110.4537	0.949	6	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2100	1.159	4	110.4537	0.949	6	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8940	0.101	3	110.7904	0.005	13	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7593	0.016	10	110.7904	0.005	13	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8460	0.006	2	110.8460	0.000	2	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6775	0.019	2	111.0048	0.068	6	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1685	0.073	4	111.0048	0.068	6	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9323	0.017	3	110.9323	0.000	3	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.3325	0.067	2	111.1947	0.027	4	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0570	0.013	2	111.1947	0.027	4	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0070	0.014	2	111.0070	0.000	2	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.5490	0.033	2	111.5490	0.001	2	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4528	0.047	4	111.4528	0.002	4	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1985	0.026	2	111.1985	0.001	2	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3490	0.202	4	111.3490	0.041	4	110.9458	0.170	62	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2580	0.007	2	111.2580	0.000	2	110.9697	1.494	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8255	1.552	4	110.8255	2.407	4	110.9697	1.494	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:S-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a]){3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2640	0.839	2	110.2640	0.703	2	110.7955	0.335	8	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8737	0.048	3	110.8737	0.002	3	110.7955	0.335	8	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3310	0.000	1	110.3310	0.000	1	110.7955	0.335	8	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4420	0.038	2	111.4420	0.001	2	110.7955	0.335	8	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	106.8790	0.588	2	106.8790	0.346	2	109.8032	2.840	9	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6387	0.254	7	110.6387	0.064	7	109.8032	2.840	9	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3290	0.007	2	110.3290	0.000	2	110.3290	0.000	2	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6790	2.287	2	110.6790	5.229	2	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6840	0.000	1	110.6840	0.000	1	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,6|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	109.7465	2.121	2	109.7465	4.497	2	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6910	0.031	2	110.6910	0.001	2	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7160	0.000	1	110.7160	0.000	1	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9300	0.200	4	110.8210	0.053	6	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6030	0.061	2	110.8210	0.053	6	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1090	0.039	3	111.1090	0.001	3	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5]){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8425	0.006	2	110.8425	0.000	2	110.7143	0.691	19	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1143	0.018	3	111.1143	0.000	3	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8032	0.047	8	110.8032	0.002	8	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0825	0.009	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.0990	0.006	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7837	0.043	6	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6470	0.000	1	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6050	0.000	1	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2695	1.466	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8510	0.080	3	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9850	0.016	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7651	0.275	25	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2920	0.742	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.4790	0.048	4	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.0055	0.009	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2470	0.021	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8375	0.009	2	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.2037	0.019	3	110.8271	0.130	59	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7393	0.176	6	110.7393	0.031	6	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.9750	0.030	2	110.9750	0.001	2	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6640	0.291	5	110.6640	0.085	5	110.8226	0.104	83	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8350	0.034	2	110.7655	0.008	4	110.7655	0.008	4	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){5|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6960	0.061	2	110.7655	0.008	4	110.7655	0.008	4	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7945	0.205	6	110.7945	0.042	6	110.7945	0.042	6	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5,6]C[5]H)	110.9937	0.120	12	110.9937	0.014	12	110.9521	0.017	16	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8272	0.047	4	110.8272	0.002	4	110.9521	0.017	16	110.7091	0.410	292	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.4885	0.033	2	110.4885	0.001	2	110.3210	0.068	8	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|N<3>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	109.9090	0.068	2	110.2652	0.080	6	110.3210	0.068	8	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.4433	0.075	4	110.2652	0.080	6	110.3210	0.068	8	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO){1|S<4>,2|C<4>,3|C<3>}	H(C[5]C[5,6]2H)	110.5345	0.039	2	110.5345	0.002	2	110.5345	0.002	2	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9490	0.020	2	110.9490	0.000	2	110.9490	0.000	2	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CC)(H)2	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.4410	0.000	1	110.4410	0.000	1	110.6610	0.101	7	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9010	0.006	2	110.9010	0.000	2	110.6610	0.101	7	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9220	0.011	2	110.9220	0.000	2	110.6610	0.101	7	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2700	0.006	2	110.2700	0.000	2	110.6610	0.101	7	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO){1|C<2>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8320	0.017	2	110.8320	0.000	2	110.8320	0.000	2	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9230	0.177	4	110.9230	0.031	4	110.9230	0.031	4	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]N[5]H)(C[5,6]C[5,6,6]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]N[5]H)(C[5,6]C[5,6,6]HH)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8085	0.025	2	110.8085	0.001	2	110.8085	0.001	2	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:B[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2){2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3355	1.172	2	110.3355	1.373	2	110.3355	1.373	2	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.2990	0.014	2	110.2990	0.000	2	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1377	0.058	6	111.1377	0.003	6	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0330	0.017	3	111.0330	0.000	3	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5535	0.013	2	110.5535	0.000	2	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6577	0.039	4	110.6577	0.002	4	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5085	0.019	2	110.5085	0.000	2	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1140	0.136	4	111.1140	0.018	4	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8417	0.152	3	110.8417	0.023	3	110.8561	0.087	26	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.7305	0.023	2	109.7305	0.001	2	110.0832	0.105	5	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.3183	0.043	3	110.3183	0.002	3	110.0832	0.105	5	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	109.5100	3.171	4	109.5100	10.057	4	109.5100	10.057	4	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6470	0.035	2	110.6470	0.001	2	110.5475	0.014	4	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4480	0.006	2	110.4480	0.000	2	110.5475	0.014	4	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8870	0.020	2	110.8870	0.000	2	110.7943	0.005	9	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7963	0.075	3	110.7963	0.006	3	110.7943	0.005	9	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C){1|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7465	0.026	4	110.7465	0.001	4	110.7943	0.005	9	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.3385	0.012	2	110.3385	0.000	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8633	0.016	3	110.8633	0.000	3	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6420	0.198	3	110.6420	0.039	3	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4146	0.285	14	110.4146	0.081	14	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7960	0.023	2	110.7960	0.001	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5980	0.040	2	110.5980	0.002	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6770	0.031	2	110.6770	0.001	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6135	0.034	4	110.6487	4.767	6	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7190	4.880	2	110.6487	4.767	6	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.6930	0.045	6	109.7325	0.007	8	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.8510	0.007	2	109.7325	0.007	8	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.7910	0.013	2	109.7910	0.000	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.1280	0.000	1	110.1280	0.000	1	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|As<2>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2500	0.029	3	110.2500	0.001	3	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3985	0.015	2	110.3735	0.001	4	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<3>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3485	0.012	2	110.3735	0.001	4	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1241	0.080	9	110.1241	0.006	9	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2270	0.000	1	110.2270	0.000	1	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ge<2>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2435	0.017	6	110.2435	0.000	6	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.0923	0.019	4	110.0923	0.000	4	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<3>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4525	0.006	2	110.4207	0.001	4	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3890	0.008	2	110.4207	0.001	4	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.0240	0.055	2	110.0240	0.003	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<2>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1942	0.081	6	110.5361	1.920	8	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.5620	3.256	2	110.5361	1.920	8	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1000	0.047	2	110.1000	0.002	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<2>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2233	0.027	3	110.2307	0.001	7	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2362	0.023	4	110.2307	0.001	7	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,1|S<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8620	0.006	2	110.8620	0.000	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	109.8070	2.906	2	109.8070	8.446	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.8545	1.925	2	111.8545	3.707	2	110.3456	0.640	101	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.7340	0.000	1	110.7340	0.000	1	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1140	0.000	1	110.5321	2.676	29	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5545	1.871	8	110.5321	2.676	29	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.8095	0.016	2	110.5321	2.676	29	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.6890	0.017	2	110.5321	2.676	29	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.4302	1.820	16	110.5321	2.676	29	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4642	0.049	4	110.4642	0.002	4	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.2910	0.033	2	110.2910	0.001	2	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.3885	0.022	2	110.3885	0.000	2	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.8337	0.095	6	110.9144	0.029	8	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1565	0.016	2	110.9144	0.029	8	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.1570	0.021	2	110.1570	0.000	2	110.5627	1.633	48	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4540	0.038	2	110.4530	0.001	4	110.4530	0.001	4	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4520	0.027	2	110.4530	0.001	4	110.4530	0.001	4	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3185	0.023	2	110.3185	0.001	2	110.4158	0.006	8	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4835	0.030	2	110.4835	0.001	2	110.4158	0.006	8	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O){1|I<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4305	0.065	4	110.4305	0.004	4	110.4158	0.006	8	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.3980	0.026	4	110.3980	0.001	4	110.2832	0.092	6	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.0535	0.547	2	110.0535	0.299	2	110.2832	0.092	6	110.4779	0.783	244	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	111.2175	0.057	2	111.2175	0.003	2	110.8920	0.142	4	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3){2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	110.5665	0.005	2	110.5665	0.000	2	110.8920	0.142	4	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7000	0.013	2	110.7890	0.013	6	110.7890	0.013	6	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.9250	0.020	2	110.7890	0.013	6	110.7890	0.013	6	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.7420	0.069	2	110.7890	0.013	6	110.7890	0.013	6	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[3,5]C[5,6]H)	111.2685	0.006	2	111.2685	0.000	2	111.2685	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	110.1110	0.031	2	110.1110	0.001	2	110.1110	0.001	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|N<3>,4|H<1>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	110.6530	0.004	2	110.6530	0.000	2	110.6530	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2	C[5,6](C[3,5]C[3,5,6]C[6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]2H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5,6]C[6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6]2H)	110.5120	0.016	2	110.5120	0.000	2	110.5120	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]2H)	111.4580	0.033	3	111.0684	0.141	7	110.8395	0.186	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]2H)	110.7763	0.124	4	111.0684	0.141	7	110.8395	0.186	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2{2|H<1>,2|O<2>,7|C<4>}	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	110.4390	0.055	4	110.4390	0.003	4	110.8395	0.186	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5]C[5,6]2H)	111.0020	0.000	1	111.0020	0.000	1	110.9847	0.001	3	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	H(C[5]C[5,6]2H)	110.9760	0.035	2	110.9760	0.001	2	110.9847	0.001	3	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]2H)	110.9027	0.057	8	110.9027	0.003	8	110.9027	0.003	8	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]2H)	110.2527	0.126	4	110.2527	0.016	4	110.2527	0.016	4	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|S<4>,2|C<4>,8|H<1>}	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	110.9000	0.006	2	110.9000	0.000	2	110.9000	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	109.2060	0.006	2	109.2060	0.000	2	109.2060	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5540	0.041	2	110.5540	0.002	2	110.5540	0.002	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,9|H<1>}	H(C[5]C[5,6]C[5]H)	110.8300	0.006	2	110.8300	0.000	2	110.8300	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]H)	110.4159	0.072	10	110.3292	0.100	23	110.3249	0.079	29	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.3395	0.037	2	110.3292	0.100	23	110.3249	0.079	29	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]H)	110.2582	0.499	9	110.3292	0.100	23	110.3249	0.079	29	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.2050	0.023	2	110.3292	0.100	23	110.3249	0.079	29	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.3082	0.030	6	110.3082	0.001	6	110.3249	0.079	29	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	109.2075	0.125	2	109.2075	0.016	2	109.2075	0.016	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1615	0.008	2	111.1615	0.000	2	111.1615	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.7360	0.090	3	109.7360	0.008	3	109.7360	0.008	3	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.0430	0.055	2	110.0430	0.003	2	110.0430	0.003	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6105	0.012	2	110.6105	0.000	2	110.6105	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8990	0.000	1	110.6900	0.091	5	110.5961	0.096	21	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6377	0.321	4	110.6900	0.091	5	110.5961	0.096	21	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7920	0.020	2	110.7920	0.000	2	110.5961	0.096	21	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5983	0.188	4	110.5983	0.035	4	110.5961	0.096	21	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.4400	0.000	1	110.6683	0.035	8	110.5961	0.096	21	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.7009	0.176	7	110.6683	0.035	8	110.5961	0.096	21	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	109.8725	0.009	2	109.8725	0.000	2	110.5961	0.096	21	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.3645	0.015	2	111.3645	0.000	2	111.3645	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH){4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.6795	0.012	2	110.6795	0.000	2	110.6795	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.1170	0.000	1	110.1170	0.000	1	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.2678	0.050	4	110.2678	0.003	4	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.1730	0.022	4	110.1730	0.000	4	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5390	0.057	4	110.5390	0.003	4	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5890	0.010	2	110.5890	0.000	2	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5023	0.073	4	110.5023	0.005	4	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|I<1>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6975	0.029	2	110.6088	0.027	5	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5497	0.199	3	110.6088	0.027	5	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6375	0.019	2	110.6375	0.000	2	110.4439	0.039	26	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.2255	0.054	2	110.2255	0.003	2	110.2255	0.003	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]H)	110.3690	0.017	2	110.3690	0.000	2	110.5271	0.998	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.2625	1.736	4	110.2625	3.014	4	110.5271	0.998	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|S<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.7810	0.010	2	110.7810	0.000	2	110.5271	0.998	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2020	0.000	1	111.2020	0.000	1	110.5271	0.998	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6230	0.027	2	110.6230	0.001	2	110.5271	0.998	11	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.8160	0.031	2	110.8160	0.001	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8845	0.012	2	110.8845	0.000	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.8210	0.796	2	109.8210	0.634	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.1240	0.013	2	110.2438	0.022	21	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3641	0.058	11	110.2438	0.022	21	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.1082	0.103	8	110.2438	0.022	21	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.1005	0.075	4	110.1167	0.009	11	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.1260	0.109	7	110.1167	0.009	11	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4470	0.030	2	110.4470	0.001	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6570	0.020	2	110.6570	0.000	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3){1|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4910	0.018	2	110.4910	0.000	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3810	0.047	4	110.3810	0.002	4	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4278	0.046	4	110.4278	0.002	4	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|N<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.2420	0.020	2	110.2420	0.000	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6358	0.042	4	110.4722	0.065	6	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.1450	0.014	2	110.4722	0.065	6	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3497	1.803	19	110.3497	3.249	19	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6915	0.071	2	110.5135	0.408	4	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.3355	1.044	2	110.5135	0.408	4	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0560	0.125	4	111.0560	0.016	4	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.4735	0.025	2	110.4735	0.001	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8257	0.121	6	110.8399	0.184	16	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	109.9235	0.439	2	110.8399	0.184	16	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2355	0.303	2	110.8399	0.184	16	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0277	0.201	6	110.8399	0.184	16	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6698	1.888	11	110.7438	3.003	13	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1510	0.033	2	110.7438	3.003	13	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5930	0.067	3	110.5930	0.005	3	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4155	0.008	2	110.4155	0.000	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.3630	0.011	2	110.3630	0.000	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7295	0.030	2	110.7295	0.001	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.0655	0.025	2	111.0655	0.001	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	111.1405	0.025	2	111.1405	0.001	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.4635	4.167	2	111.4635	17.364	2	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9610	0.060	4	110.9610	0.004	4	110.5266	0.961	137	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1510	0.016	2	110.1510	0.000	2	110.1510	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	112.0960	1.004	2	112.0960	1.008	2	112.0960	1.008	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	112.5045	0.390	2	112.5045	0.152	2	112.5045	0.152	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9460	0.021	2	110.9460	0.000	2	110.9256	3.088	14	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8195	0.042	4	110.6998	0.035	6	110.9256	3.088	14	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4605	0.005	2	110.6998	0.035	6	110.9256	3.088	14	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1180	3.623	4	111.1180	13.123	4	110.9256	3.088	14	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1980	0.004	2	111.1980	0.000	2	110.9256	3.088	14	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3547	0.080	4	110.3547	0.006	4	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2{1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.4080	0.054	2	110.4080	0.003	2	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2{1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5490	0.000	1	110.5490	0.000	1	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,8|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7174	0.104	8	110.7174	0.011	8	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.8110	0.004	2	109.8110	0.000	2	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.0943	0.033	3	110.0943	0.001	3	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1930	0.000	1	110.1930	0.000	1	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.1990	0.045	2	110.1990	0.002	2	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4210	0.006	2	110.4210	0.000	2	110.3944	0.085	25	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH){1|C<4>,2|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.0970	0.004	2	110.0970	0.000	2	110.0970	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	111.1395	1.070	2	111.1395	1.145	2	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9025	0.011	2	110.5786	0.220	20	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.5427	0.481	18	110.5786	0.220	20	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.9360	0.006	2	110.9360	0.000	2	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9715	0.052	2	110.8934	0.034	64	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.5410	0.006	2	110.8934	0.034	64	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9687	0.132	3	110.8934	0.034	64	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.8739	0.201	37	110.8934	0.034	64	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	110.9458	0.122	20	110.8934	0.034	64	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.9200	0.000	1	110.9200	0.000	1	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.6265	0.035	4	110.5353	0.021	6	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|N<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.3530	0.023	2	110.5353	0.021	6	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6625	0.013	2	110.6720	0.018	10	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.6744	0.154	8	110.6720	0.018	10	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	110.4052	0.129	4	110.4052	0.017	4	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.8503	0.053	3	110.8503	0.003	3	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	111.1540	0.031	2	111.1540	0.001	2	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.2200	0.000	1	111.0328	0.019	5	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9860	0.103	4	111.0328	0.019	5	110.8017	0.097	119	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6660	0.021	2	110.6660	0.000	2	110.6660	0.000	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	109.9565	0.050	2	109.9565	0.003	2	110.3790	0.094	7	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,8|H<1>}	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.6343	0.035	3	110.6343	0.001	3	110.3790	0.094	7	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.4185	0.046	2	110.4185	0.002	2	110.3790	0.094	7	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2{1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5272	0.089	4	110.5272	0.008	4	110.5272	0.008	4	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH){2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.0795	0.013	2	110.0795	0.000	2	110.6618	0.204	6	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9530	0.039	4	110.9530	0.002	4	110.6618	0.204	6	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]H)	110.8200	0.033	2	110.8200	0.001	2	110.8200	0.001	2	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:I-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]I)	104.2110	0.902	4	104.2110	0.813	4	104.2110	0.813	4	110.5588	0.851	484	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	2:2:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]O)	110.8370	0.477	2	110.8370	0.227	2	110.8370	0.227	2	110.8370	0.227	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	2:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	2:4:3:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	2:4:4:4:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H)	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]O)	108.9475	0.139	2	108.9475	0.019	2	108.9475	0.019	2	110.2440	1.650	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	2:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]O)	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	110.2440	1.650	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	2:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	111.5065	0.163	2	111.5065	0.027	2	111.5065	0.027	2	110.2440	1.650	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:2:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2O)	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.9590	0.524	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	108.9590	0.524	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.6315	0.097	2	109.6315	0.009	2	109.6315	0.009	2	109.9400	0.318	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.2485	0.752	2	110.2485	0.565	2	110.2485	0.565	2	109.9400	0.318	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H){2|C<3>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.1260	0.120	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O[5])	110.0155	0.408	2	110.0155	0.166	2	110.0155	0.166	2	110.1260	0.120	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:3:2:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5,6]O)	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	111.4310	3.662	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.6630	2.646	2	111.6630	7.001	2	111.6630	7.001	2	111.4310	3.662	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:3:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|N<2>,2|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[6]O[5])	109.0435	0.605	2	109.0435	0.366	2	109.0435	0.366	2	109.0435	0.366	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	H(C[5]C[5,6]C[5]O)	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	111.5460	0.000	1	111.2343	0.247	3	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.0785	0.590	2	111.2343	0.247	3	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	111.9100	0.000	1	111.9100	0.000	1	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	111.4670	0.000	1	111.4670	0.000	1	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	110.5700	0.000	1	110.7383	0.437	3	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]O)	111.4670	0.000	1	110.7383	0.437	3	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]O)	110.1780	0.000	1	110.7383	0.437	3	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]O)	111.8630	0.672	2	111.8630	0.451	2	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]O)	111.4010	0.000	1	111.4010	0.000	1	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]O)	110.8080	0.000	1	110.8080	0.000	1	111.2692	0.368	12	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.4990	0.000	1	110.4990	0.000	1	110.4990	0.000	1	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	N[5,5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]O[5])	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[6]O[5])	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	110.8997	0.766	16	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	106.9910	0.000	1	108.0785	2.365	2	108.0785	2.365	2	108.7287	2.451	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.1660	0.000	1	108.0785	2.365	2	108.0785	2.365	2	108.7287	2.451	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O[5])	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	108.7287	2.451	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.9490	1.455	3	107.9490	2.118	3	107.9490	2.118	3	108.6751	1.293	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H)	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{1|C<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.4345	0.596	2	109.4345	0.355	2	109.4345	0.355	2	108.6751	1.293	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6751	1.293	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	108.6751	1.293	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H)	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H){1|C<2>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]O)	108.8535	0.132	2	108.8535	0.017	2	108.8535	0.017	2	109.9027	4.827	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H){1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]O)	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	109.9027	4.827	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]O)	110.4743	0.536	3	110.4743	0.287	3	111.2653	2.694	4	109.9027	4.827	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	113.6380	0.000	1	113.6380	0.000	1	111.2653	2.694	4	109.9027	4.827	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:2:2:	4:	C[5,5]-4:C[5,6]-4:C-2:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.7310	0.000	1	111.7310	0.000	1	110.3913	1.325	7	109.9821	2.475	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.1680	1.082	6	110.1680	1.171	6	110.3913	1.325	7	109.9821	2.475	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	107.1180	0.000	1	107.1180	0.000	1	107.1180	0.000	1	109.9821	2.475	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]O)	107.9500	0.287	2	107.9500	0.082	2	107.9500	0.082	2	111.4433	6.993	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]O)	112.8406	1.388	5	112.8406	1.927	5	112.8406	1.927	5	111.4433	6.993	7	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]O)	109.1735	0.193	2	109.1735	0.037	2	108.9230	0.207	3	108.8107	1.407	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH){5|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	108.4220	0.000	1	108.4220	0.000	1	108.9230	0.207	3	108.8107	1.407	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]O)	109.3688	0.719	4	109.3688	0.517	4	109.3688	0.517	4	108.8107	1.407	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	106.2420	0.000	1	106.2420	0.000	1	106.2420	0.000	1	108.8107	1.407	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]O)	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	111.0610	0.000	1	111.0280	0.002	2	111.0280	0.002	2	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	110.9950	0.000	1	111.0280	0.002	2	111.0280	0.002	2	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:N-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]N)	111.7880	0.000	1	111.7880	0.000	1	111.7880	0.000	1	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.8383	0.227	4	109.8383	0.052	4	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.6710	0.000	1	109.7100	0.775	3	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.2295	0.407	2	109.7100	0.775	3	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]O)	111.2394	0.288	5	111.2394	0.083	5	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.3030	0.000	1	108.3030	0.000	1	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]O)	112.4953	0.389	3	112.4953	0.151	3	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]O)	113.2910	1.864	2	113.2910	3.474	2	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	109.4400	0.000	1	109.4400	0.000	1	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	111.1600	0.000	1	111.1600	0.000	1	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]O)	112.4690	0.000	1	112.4690	0.000	1	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.1870	0.000	1	110.1870	0.000	1	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	110.8930	0.000	1	110.8930	0.000	1	110.9217	2.096	23	110.8790	1.915	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H){1|H<1>,4|C<4>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2{1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	110.2845	1.493	2	110.2845	2.228	2	110.2845	2.228	2	110.0191	2.603	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	110.0191	2.603	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	110.0191	2.603	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]O)	111.4965	2.173	2	111.4965	4.722	2	111.4965	4.722	2	110.0191	2.603	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	110.0191	2.603	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:N[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	110.0191	2.603	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]O[5])	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.1365	0.166	2	109.1365	0.028	2	109.1365	0.028	2	109.1365	0.028	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[3]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	H(C[5]C[5,6]C[3]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[3]O[5])	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.5570	0.000	1	110.7525	0.076	2	110.7525	0.076	2	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.9480	0.000	1	110.7525	0.076	2	110.7525	0.076	2	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H){1|C<3>,1|O<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	109.9510	0.000	1	109.9510	0.000	1	110.5927	0.918	4	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	110.5790	0.000	1	110.5790	0.000	1	110.5927	0.918	4	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	109.8890	0.000	1	109.8890	0.000	1	110.5927	0.918	4	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.9520	0.000	1	111.9520	0.000	1	110.5927	0.918	4	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	112.8110	0.000	1	112.8110	0.000	1	111.5390	4.869	3	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.9030	2.704	2	110.9030	7.311	2	111.5390	4.869	3	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,6]C[6]O[5])	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	110.4468	2.685	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	110.1208	2.799	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.8750	0.000	1	111.8750	0.000	1	110.8372	1.573	4	110.1208	2.799	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.4913	1.282	3	110.4913	1.642	3	110.8372	1.573	4	110.1208	2.799	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5])	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6]O[5])	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	110.1208	2.799	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.2030	0.822	3	110.2030	0.675	3	110.2030	0.675	3	109.9966	0.514	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.6870	0.621	2	109.6870	0.385	2	109.6870	0.385	2	109.9966	0.514	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	H(C[5]C[3,5]C[5,6]O)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5,6]O)	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,5,6]C[5,6]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5,6]O)	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5,6]O)	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5,6]O)	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]O)	109.7890	2.887	3	108.9217	4.360	6	108.9217	4.360	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]O)	108.1225	0.766	2	108.9217	4.360	6	108.9217	4.360	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	H(C[5]C[5,6,6]C[5,6]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]O)	107.9180	0.000	1	108.9217	4.360	6	108.9217	4.360	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	H(C[5]C[3,5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[3,5]C[5,6]O)	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]O)	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]2O)	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]2O)	109.7810	0.000	1	109.7810	0.000	1	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,6]2O)	109.8460	0.000	1	109.8460	0.000	1	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]2O)	109.8370	0.000	1	109.8370	0.000	1	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2O)	110.3213	0.577	4	110.3213	0.333	4	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]2O)	111.5570	0.000	1	110.3883	0.455	7	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[5]C[5,6]2O)	110.1440	0.000	1	110.3883	0.455	7	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2O)	109.8400	0.000	1	110.3883	0.455	7	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]2O)	110.2943	0.568	4	110.3883	0.455	7	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2O)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]2O)	111.5090	0.000	1	111.5090	0.000	1	110.3317	0.423	15	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	113.0170	0.000	1	113.0170	0.000	1	113.0170	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.4235	0.484	2	109.4235	0.235	2	109.1395	1.832	4	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]O)	110.4270	0.000	1	110.4270	0.000	1	109.1395	1.832	4	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]O)	107.2840	0.000	1	107.2840	0.000	1	109.1395	1.832	4	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	107.7400	0.000	1	108.1545	0.344	2	109.0138	0.768	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	108.5690	0.000	1	108.1545	0.344	2	109.0138	0.768	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.3420	0.000	1	110.3420	0.000	1	109.0138	0.768	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.0970	0.000	1	109.0970	0.000	1	109.0138	0.768	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.4830	0.000	1	109.4830	0.000	1	109.0138	0.768	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	H(C[5]C[5,6]C[5]O)	108.8520	0.000	1	108.8520	0.000	1	109.0138	0.768	6	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	105.7450	0.000	1	107.5607	2.472	3	108.5834	3.267	5	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	108.4685	0.001	2	107.5607	2.472	3	108.5834	3.267	5	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	110.4910	0.000	1	110.1175	0.279	2	108.5834	3.267	5	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.7440	0.000	1	110.1175	0.279	2	108.5834	3.267	5	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.2350	0.000	1	111.2350	0.000	1	109.4625	1.233	8	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.1450	0.486	2	108.1450	0.237	2	109.4625	1.233	8	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.3800	0.000	1	110.3800	0.000	1	109.4625	1.233	8	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.6090	0.000	1	109.1835	0.660	2	109.4625	1.233	8	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.7580	0.000	1	109.1835	0.660	2	109.4625	1.233	8	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.7140	0.000	2	109.7140	0.000	2	109.4625	1.233	8	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]O[5])	112.6600	0.000	1	112.6600	0.000	1	110.7680	7.159	2	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O[5])	108.8760	0.000	1	108.8760	0.000	1	110.7680	7.159	2	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,6]C[6]O[5])	104.4130	0.000	1	104.4130	0.000	1	104.4130	0.000	1	109.4472	2.533	56	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	H(C[5]C[3,5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H){1|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[3,5]C[5,6]O)	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]O)	108.4450	0.000	1	108.4450	0.000	1	108.2085	0.112	2	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	H(C[5]C[5,5]C[5,6]O)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]O)	107.9720	0.000	1	107.9720	0.000	1	108.2085	0.112	2	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	H(C[5]C[5,6]C[5]O)	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]O)	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]O)	109.2380	0.000	1	109.2380	0.000	1	110.1054	1.337	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.6200	0.000	1	110.6200	0.000	1	110.1054	1.337	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.3010	0.000	1	110.3010	0.000	1	110.1054	1.337	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.2010	0.065	2	109.2010	0.004	2	110.1054	1.337	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.7860	0.000	1	109.7860	0.000	1	110.1054	1.337	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]O)	112.3910	0.000	1	112.3910	0.000	1	110.1054	1.337	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]O)	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5,6]C[5]O)	111.1400	0.590	3	111.1400	0.348	3	111.1400	0.348	3	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]O[5])	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6]O[5])	107.7840	0.000	2	107.2551	0.153	7	107.2551	0.153	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6]O[5])	107.0880	0.246	3	107.2551	0.153	7	107.2551	0.153	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[6]O[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6]O[5])	106.9770	0.000	2	107.2551	0.153	7	107.2551	0.153	7	109.2144	2.843	25	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.5970	0.000	1	109.5970	0.000	1	109.5588	0.065	4	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.8850	0.000	1	109.8850	0.000	1	109.5588	0.065	4	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.3765	0.139	2	109.3765	0.019	2	109.5588	0.065	4	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	107.6620	0.000	1	107.6620	0.000	1	109.2185	3.880	4	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.4540	2.308	2	109.7373	4.204	3	109.2185	3.880	4	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|F<1>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.3040	0.000	1	109.7373	4.204	3	109.2185	3.880	4	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:S-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H)	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]S)	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	109.3522	1.356	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO)	H(C[5]C[5,6]O[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]C)	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.6890	0.161	2	108.6890	0.026	2	108.6890	0.026	2	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5]C[5,6]C[5]O)	110.7213	0.399	3	110.8110	0.273	5	110.0884	0.968	10	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	H(C[5]C[5,6]C[5]O)	111.5430	0.000	1	110.8110	0.273	5	110.0884	0.968	10	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]O)	110.3480	0.000	1	110.8110	0.273	5	110.0884	0.968	10	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[5]C[5,6]C[5]O)	109.3805	0.894	4	109.3805	0.798	4	110.0884	0.968	10	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,3|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.3070	0.000	1	109.3070	0.000	1	110.0884	0.968	10	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]O)	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|N<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|S<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.1150	0.000	1	108.1150	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.2510	0.000	1	108.2510	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	108.1166	0.427	5	108.1166	0.182	5	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	104.9080	0.000	1	106.1330	0.548	6	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	106.3780	0.484	5	106.1330	0.548	6	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.2720	0.180	2	109.2720	0.032	2	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.7120	0.000	1	109.7120	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]O)	108.5950	0.000	2	108.5950	0.000	2	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]O)	108.5660	1.835	5	108.5660	3.365	5	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]O)	110.3130	0.000	1	110.3130	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]O)	108.8100	0.000	1	108.8100	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.3162	0.203	5	109.3100	0.134	26	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.3085	0.398	21	109.3100	0.134	26	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	111.8550	0.000	1	111.8550	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	106.6050	1.195	2	106.6050	1.428	2	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]O)	107.3950	0.000	1	108.3057	0.660	3	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	108.9550	0.000	1	108.3057	0.660	3	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]O)	108.5670	0.000	1	108.3057	0.660	3	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.2320	0.000	1	108.5565	2.630	37	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	108.5378	1.641	36	108.5565	2.630	37	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]O)	107.4560	0.000	1	108.0880	0.799	2	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	108.7200	0.000	1	108.0880	0.799	2	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]O)	108.5170	0.000	1	108.5170	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.6300	0.000	1	109.6300	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.6030	0.000	1	111.6030	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.4190	0.000	1	109.4190	0.000	1	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.1465	0.006	2	109.1465	0.000	2	108.6609	2.032	102	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H){1|H<1>,2|C<3>,2|C<4>,4|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]O)	114.7900	0.000	1	114.7900	0.000	1	109.4308	5.864	8	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.5600	0.000	1	109.5600	0.000	1	109.4308	5.864	8	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	108.5160	1.207	6	108.5160	1.458	6	109.4308	5.864	8	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2{2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.0620	0.000	1	109.0620	0.000	1	110.0395	1.911	2	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2{2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	111.0170	0.000	1	111.0170	0.000	1	110.0395	1.911	2	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){5|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]O)	109.6170	0.525	2	109.6170	0.275	2	109.6893	0.153	3	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]O)	109.8340	0.000	1	109.8340	0.000	1	109.6893	0.153	3	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]O)	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.8626	2.239	131	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	2:3:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	2:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]2C)	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]2C)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	H(C[5]C[5,6]C[5]C)	108.4300	0.000	1	108.4300	0.000	1	109.3186	1.261	7	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.8250	0.000	1	109.8250	0.000	1	109.3186	1.261	7	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	110.7180	0.000	1	110.7180	0.000	1	109.3186	1.261	7	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.7390	0.000	1	108.7390	0.000	1	109.3186	1.261	7	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.3780	0.000	1	108.3780	0.000	1	109.3186	1.261	7	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H){2|C<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	108.3020	0.000	1	108.3020	0.000	1	109.3186	1.261	7	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H){1|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	110.8380	0.000	1	110.8380	0.000	1	109.3186	1.261	7	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1070	0.071	2	106.1070	0.005	2	106.1070	0.005	2	108.6853	2.396	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:3:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	H(C[5]C[5,6]2C)	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	108.5885	2.091	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O){5|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	108.5885	2.091	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:N[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.5230	0.000	1	106.5230	0.000	1	106.5230	0.000	1	108.4942	1.429	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]2C)	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.4942	1.429	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H)	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H){1|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.9947	0.655	3	108.9947	0.429	3	108.9947	0.429	3	108.4942	1.429	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]C)	109.0560	0.000	1	109.0560	0.000	1	108.7800	0.152	2	108.7800	0.152	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.5040	0.000	1	108.5040	0.000	1	108.7800	0.152	2	108.7800	0.152	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH){1|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.9080	0.000	1	107.9080	0.000	1	107.9335	0.001	2	108.2447	0.291	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.9590	0.000	1	107.9590	0.000	1	107.9335	0.001	2	108.2447	0.291	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]2)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.2447	0.291	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]C)	106.1810	0.000	1	106.1810	0.000	1	106.1810	0.000	1	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]2C)	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H){3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.5420	0.000	1	108.5420	0.000	1	108.5053	1.238	3	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.4870	1.573	2	108.4870	2.473	2	108.5053	1.238	3	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2490	0.335	2	108.2490	0.112	2	108.3746	0.248	7	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5340	0.604	4	108.5340	0.365	4	108.3746	0.248	7	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.9880	0.000	1	107.9880	0.000	1	108.3746	0.248	7	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H)	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H){1|C<3>,1|N<2>,2|H<1>}	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]N)	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]N)	107.7730	0.432	3	107.7730	0.187	3	108.2223	0.932	4	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]N)	109.5700	0.000	1	109.5700	0.000	1	108.2223	0.932	4	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]N[6])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]N[6])	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	108.0862	1.061	20	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H){1|H<1>,2|O<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5,6]C[5]C)	107.2135	1.661	2	107.2135	2.759	2	107.2135	2.759	2	108.4426	1.952	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:2:	4:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5])	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5]){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]N[5])	109.2620	0.085	3	109.2620	0.007	3	109.2620	0.007	3	108.4426	1.952	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]2)	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H)	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	107.8245	0.635	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3)	H(C[5]C[5,6]C[5]N[6])	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]N[6])	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	107.8245	0.635	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:3:2:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5650	1.457	2	108.5650	2.122	2	108.5650	2.122	2	108.5650	2.122	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.8195	0.289	2	105.8195	0.084	2	107.1863	5.647	3	108.1563	3.390	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H){2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.9200	0.000	1	109.9200	0.000	1	107.1863	5.647	3	108.1563	3.390	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.1685	0.008	2	109.1685	0.000	2	109.1685	0.000	2	108.1563	3.390	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H)	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]N[5])	109.0420	0.000	1	109.0420	0.000	1	109.0420	0.000	1	108.1563	3.390	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-2:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]2)	107.1355	0.206	2	107.1355	0.042	2	107.1355	0.042	2	107.1355	0.042	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(CCO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(CCO)(H){1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.6030	0.000	1	109.6030	0.000	1	106.8500	15.158	2	106.2400	8.695	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(COO)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	104.0970	0.000	1	104.0970	0.000	1	106.8500	15.158	2	106.2400	8.695	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.0200	0.000	1	105.0200	0.000	1	105.0200	0.000	1	106.2400	8.695	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.4890	0.000	1	105.6750	6.581	2	105.6750	6.581	2	106.1850	2.209	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){3|H<1>,4|C<4>}	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	103.8610	0.000	1	105.6750	6.581	2	105.6750	6.581	2	106.1850	2.209	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H)	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]2C)	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	106.1850	2.209	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	106.1850	2.209	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6910	0.000	1	106.6910	0.000	1	106.6910	0.000	1	106.1850	2.209	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.5640	0.017	2	108.5640	0.000	2	108.5640	0.000	2	108.0157	0.902	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.9190	0.000	1	106.9190	0.000	1	106.9190	0.000	1	108.0157	0.902	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.6860	0.000	1	104.6860	0.000	1	104.6860	0.000	1	104.6860	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<1>,3|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.6840	0.000	1	104.8227	0.015	3	104.8227	0.015	3	105.1900	0.550	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{2|C<4>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.8920	0.027	2	104.8227	0.015	3	104.8227	0.015	3	105.1900	0.550	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	105.1900	0.550	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.3160	0.201	2	107.3160	0.040	2	107.3160	0.040	2	107.3160	0.040	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.7480	0.263	2	106.7480	0.069	2	107.2640	0.833	3	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	108.2960	0.000	1	108.2960	0.000	1	107.2640	0.833	3	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]2C[6a])	107.3850	0.000	1	106.9070	0.107	5	106.5335	0.414	8	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]2C[6a])	106.7875	0.218	4	106.9070	0.107	5	106.5335	0.414	8	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6]2C[6a])	105.9110	0.552	3	105.9110	0.304	3	106.5335	0.414	8	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.0775	0.534	2	108.0775	0.285	2	108.0775	0.285	2	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H)	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.4990	0.000	1	106.4990	0.000	1	105.8975	0.724	2	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.2960	0.000	1	105.2960	0.000	1	105.8975	0.724	2	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.1330	0.105	2	109.1330	0.011	2	109.1330	0.011	2	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]N)	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	107.3695	2.592	19	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5])	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5]){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.3480	0.000	1	107.3480	0.000	1	107.4260	0.012	2	107.4260	0.012	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:2:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5])	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5]){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.5040	0.000	1	107.5040	0.000	1	107.4260	0.012	2	107.4260	0.012	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.7300	0.000	1	105.7300	0.000	1	105.7300	0.000	1	105.7300	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.7680	0.000	1	105.7680	0.000	1	106.0107	0.044	3	106.0107	0.044	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1320	0.014	2	106.1320	0.000	2	106.0107	0.044	3	106.0107	0.044	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:2:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3,6]-4:C[5]-4:O[5,6]-2:C-3:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO){5|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	105.4320	0.000	1	105.4320	0.000	1	105.4320	0.000	1	107.1637	5.614	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	107.1637	5.614	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]C)	103.5810	0.000	2	103.5810	0.000	2	107.1347	7.629	6	107.1637	5.614	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.1350	0.078	2	109.1350	0.006	2	107.1347	7.629	6	107.1637	5.614	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.6880	0.231	2	108.6880	0.053	2	107.1347	7.629	6	107.1637	5.614	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	107.1637	5.614	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	105.2905	2.244	2	105.2905	5.034	2	105.2905	5.034	2	105.8757	3.000	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4610	1.611	2	106.4610	2.595	2	106.4610	2.595	2	105.8757	3.000	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.3805	1.283	2	109.3805	1.647	2	109.3805	1.647	2	107.3861	3.102	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H){3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	107.7220	0.800	2	107.7220	0.641	2	107.7938	0.260	4	107.3861	3.102	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H)	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]C)	108.1100	0.000	1	108.1100	0.000	1	107.7938	0.260	4	107.3861	3.102	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H)	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H){3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	107.6210	0.000	1	107.6210	0.000	1	107.7938	0.260	4	107.3861	3.102	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]2)	104.0730	0.000	1	104.0730	0.000	1	104.0730	0.000	1	107.3861	3.102	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.2330	0.363	2	106.2330	0.132	2	106.2330	0.132	2	107.3861	3.102	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	107.6450	0.000	1	107.6023	0.005	3	107.6023	0.005	3	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	107.5220	0.000	1	107.6023	0.005	3	107.6023	0.005	3	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	107.6400	0.000	1	107.6023	0.005	3	107.6023	0.005	3	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.6335	0.258	2	106.6335	0.067	2	106.6087	0.035	3	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.5590	0.000	1	106.5590	0.000	1	106.6087	0.035	3	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.8100	0.393	2	104.8100	0.155	2	104.8100	0.155	2	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.7245	2.295	2	106.7245	5.265	2	106.7245	5.265	2	106.6498	1.275	13	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[3x5]C[5,6]C[5a])	107.3740	0.000	1	106.9440	0.074	5	106.9440	0.074	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[3x5]C[5,6]C[5a])	106.6670	0.000	1	106.9440	0.074	5	106.9440	0.074	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	H(C[5]C[3x5]C[5,6]C[5a])	107.0270	0.000	1	106.9440	0.074	5	106.9440	0.074	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	H(C[5]C[3x5]C[5,6]C[5a])	106.8260	0.023	2	106.9440	0.074	5	106.9440	0.074	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5,6]C)	106.2380	0.000	1	106.2380	0.000	1	108.4767	1.048	7	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.6190	0.000	1	108.6190	0.000	1	108.4767	1.048	7	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]C)	109.2910	0.000	1	109.2910	0.000	1	108.4767	1.048	7	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C)	108.9290	0.000	1	108.9290	0.000	1	108.4767	1.048	7	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5,6]C)	108.8910	0.205	2	108.7533	0.078	3	108.4767	1.048	7	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]C)	108.4780	0.000	1	108.7533	0.078	3	108.4767	1.048	7	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[5a])	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	107.0840	0.000	1	107.0840	0.000	1	106.9740	0.024	2	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.8640	0.000	1	106.8640	0.000	1	106.9740	0.024	2	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]2C)	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]2C)	108.9500	0.000	1	108.9500	0.000	1	109.1593	0.159	3	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	H(C[5]C[5,6]2C)	109.6190	0.000	1	109.6190	0.000	1	109.1593	0.159	3	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]2C)	108.9090	0.000	1	108.9090	0.000	1	109.1593	0.159	3	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H){2|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]C)	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	108.5800	0.943	2	108.5800	0.890	2	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.6560	0.000	1	108.6560	0.000	1	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.2160	0.000	1	108.2160	0.000	1	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.5230	0.000	1	109.8775	0.251	2	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	110.2320	0.000	1	109.8775	0.251	2	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.7035	0.231	2	106.7035	0.053	2	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H){1|Si<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	H(C[5]C[5,6]C[5]C)	109.4330	0.000	1	109.4330	0.000	1	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]C[5]C)	109.7870	0.000	1	109.7870	0.000	1	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.5234	0.371	5	107.5234	0.138	5	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.2240	0.000	1	108.2240	0.000	1	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.1015	0.590	2	108.1015	0.349	2	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.9450	0.020	2	108.9450	0.000	2	108.3174	1.046	20	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]C)	105.9520	0.000	1	105.9520	0.000	1	107.3750	1.589	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.3080	0.000	1	107.3080	0.000	1	107.3750	1.589	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	106.5320	0.000	1	106.5320	0.000	1	107.3750	1.589	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.8720	0.000	1	107.8720	0.000	1	107.3750	1.589	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.2110	0.000	1	109.2110	0.000	1	107.3750	1.589	5	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C)	108.4317	0.183	3	108.2073	0.732	13	108.3486	0.956	14	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C)	108.1400	0.973	10	108.2073	0.732	13	108.3486	0.956	14	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C)	110.1860	0.000	1	110.1860	0.000	1	108.3486	0.956	14	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.4360	0.000	1	108.4360	0.000	1	107.2085	3.014	2	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.9810	0.000	1	105.9810	0.000	1	107.2085	3.014	2	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]N)	107.5320	0.113	2	107.5320	0.013	2	107.5320	0.013	2	108.0932	1.231	65	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	103.9910	0.000	1	103.9910	0.000	1	103.9910	0.000	1	110.0438	12.889	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]N)	112.7560	0.000	2	112.7560	0.000	2	111.5570	1.921	4	110.0438	12.889	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]N)	110.3580	0.106	2	110.3580	0.011	2	111.5570	1.921	4	110.0438	12.889	5	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.0790	0.000	1	106.0790	0.000	1	107.1096	0.272	11	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.0050	0.000	1	107.0050	0.000	1	107.1096	0.272	11	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1117	0.316	6	107.2358	0.187	9	107.1096	0.272	11	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	108.1260	0.000	1	107.2358	0.187	9	107.1096	0.272	11	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1630	0.322	2	107.2358	0.187	9	107.1096	0.272	11	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.3060	0.000	1	106.3060	0.000	1	105.4270	0.988	4	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	106.1870	0.000	1	105.1340	0.967	3	105.4270	0.988	4	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.6075	0.520	2	105.1340	0.967	3	105.4270	0.988	4	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	H(C[5]C[5,6]2C[6a])	107.3120	0.000	1	106.8638	0.095	5	106.8638	0.095	5	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	H(C[5]C[5,6]2C[6a])	106.7518	0.208	4	106.8638	0.095	5	106.8638	0.095	5	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]2C[6a])	105.8973	0.541	3	105.8973	0.293	3	105.8973	0.293	3	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]2)	107.1850	0.000	1	107.1850	0.000	1	107.4012	1.075	5	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|C<4>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]2)	106.3760	0.000	1	107.3773	2.084	3	107.4012	1.075	5	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]2)	107.8780	1.632	2	107.3773	2.084	3	107.4012	1.075	5	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[5]C[5]2H)(COO){1|O<1>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]2)	107.6890	0.000	1	107.6890	0.000	1	107.4012	1.075	5	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1650	0.000	1	106.4435	0.155	2	106.4435	0.155	2	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.7220	0.000	1	106.4435	0.155	2	106.4435	0.155	2	106.7273	0.830	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3)	H(C[5]C[3,5]C[5,6]C[6a])	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3,5]C[5,6]C[6a])	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.3860	0.000	1	107.3860	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	105.9180	0.000	1	105.9180	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.0970	0.000	1	108.0880	0.111	3	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.0835	0.472	2	108.0880	0.111	3	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	106.4660	0.000	1	106.4660	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	105.9900	0.000	1	105.9900	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.1927	0.564	3	106.1927	0.318	3	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	105.8200	0.000	1	105.8200	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.3160	0.000	1	107.3160	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.7675	0.726	2	107.7675	0.527	2	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.4470	0.000	2	106.8710	0.539	3	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.7190	0.000	1	106.8710	0.539	3	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	105.2440	0.000	1	107.4954	1.663	19	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.8520	0.000	1	107.4954	1.663	19	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.4780	0.000	1	107.4954	1.663	19	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.8995	0.363	2	107.4954	1.663	19	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.5742	1.364	14	107.4954	1.663	19	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.7620	1.510	2	107.7620	2.281	2	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.4356	0.265	5	106.4356	0.070	5	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.4860	0.000	1	108.4860	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.2855	0.062	2	108.2855	0.004	2	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.0910	0.000	1	108.2080	0.101	3	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.2665	0.426	2	108.2080	0.101	3	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.5290	0.100	2	107.5290	0.010	2	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.2020	0.000	1	107.2020	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.1170	0.000	1	107.1170	0.000	1	107.3030	1.136	53	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.4305	0.117	2	108.4305	0.014	2	108.4305	0.014	2	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]2)	107.5250	0.000	1	107.4635	0.008	2	107.4635	0.008	2	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]2)	107.4020	0.000	1	107.4635	0.008	2	107.4635	0.008	2	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]2)	107.3630	0.000	1	107.3630	0.000	1	107.3563	0.209	15	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	106.8520	0.000	1	107.3795	0.236	13	107.3563	0.209	15	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]2)	107.4234	0.479	12	107.3795	0.236	13	107.3563	0.209	15	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]2)	107.0490	0.000	1	107.0490	0.000	1	107.3563	0.209	15	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.3410	0.054	2	107.3410	0.003	2	107.2078	0.062	4	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5a]C[5])	106.8390	0.000	1	106.8390	0.000	1	107.2078	0.062	4	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.3100	0.000	1	107.3100	0.000	1	107.2078	0.062	4	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.5020	0.000	1	106.5020	0.000	1	105.9417	0.806	3	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.6615	1.068	2	105.6615	1.142	2	105.9417	0.806	3	107.2837	0.906	81	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	2:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.5410	0.000	1	109.5410	0.000	1	109.3500	0.073	2	109.3500	0.073	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	2:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.1590	0.000	1	109.1590	0.000	1	109.3500	0.073	2	109.3500	0.073	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.9660	0.000	1	106.9660	0.000	1	108.9335	7.742	2	108.9335	7.742	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	2:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	110.9010	0.000	1	110.9010	0.000	1	108.9335	7.742	2	108.9335	7.742	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	2:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.2370	0.000	1	109.2370	0.000	1	107.3610	2.649	3	107.3610	2.649	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	2:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|Si<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.4230	0.139	2	106.4230	0.019	2	107.3610	2.649	3	107.3610	2.649	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	2:4:4:4:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]Si)	102.7095	0.261	2	102.7095	0.068	2	102.7095	0.068	2	102.7095	0.068	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:2:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.6430	0.000	1	107.6430	0.000	1	107.6430	0.000	1	107.6430	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.5600	0.000	1	107.5600	0.000	1	107.9888	0.536	5	108.8331	1.493	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.4605	0.545	2	107.4605	0.297	2	107.9888	0.536	5	108.8331	1.493	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.7320	0.000	1	108.7320	0.000	1	107.9888	0.536	5	108.8331	1.493	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]C)	108.7310	0.000	1	108.7310	0.000	1	107.9888	0.536	5	108.8331	1.493	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.9555	0.255	2	109.9555	0.065	2	109.9555	0.065	2	108.8331	1.493	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]S)	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	108.8331	1.493	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H){2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]S)	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.8331	1.493	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.8980	0.000	1	107.8980	0.000	1	107.5695	0.216	2	105.8947	1.953	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2410	0.000	1	107.2410	0.000	1	107.5695	0.216	2	105.8947	1.953	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,3|C<3>,5|C<4>}	H(C[5]C[5,6]C[5]C)	104.9970	0.000	1	105.1883	0.463	3	105.1883	0.463	3	105.8947	1.953	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C)	104.6240	0.000	1	105.1883	0.463	3	105.1883	0.463	3	105.8947	1.953	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,2|C<3>,6|C<4>}	H(C[5]C[5,6]C[5]C)	105.9440	0.000	1	105.1883	0.463	3	105.1883	0.463	3	105.8947	1.953	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	105.8947	1.953	6	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]C)	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H)	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]2C)	106.3860	0.000	1	106.3860	0.000	1	106.3860	0.000	1	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]C)	107.7260	0.000	1	107.7260	0.000	1	108.6726	1.098	5	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	110.3250	0.000	1	109.6805	0.831	2	108.6726	1.098	5	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.0360	0.000	1	109.6805	0.831	2	108.6726	1.098	5	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.1380	0.250	2	108.1380	0.063	2	108.6726	1.098	5	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.8390	0.000	1	107.8390	0.000	1	107.4695	0.273	2	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.1000	0.000	1	107.1000	0.000	1	107.4695	0.273	2	108.1497	1.291	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:3:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	106.2790	0.000	1	106.2790	0.000	1	108.0267	2.293	3	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.9005	0.071	2	108.9005	0.005	2	108.0267	2.293	3	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.0140	0.000	1	109.5395	0.552	2	109.2104	0.410	5	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]C)	110.0650	0.000	1	109.5395	0.552	2	109.2104	0.410	5	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.4040	0.000	1	108.4040	0.000	1	109.2104	0.410	5	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.9620	0.000	1	108.9620	0.000	1	109.2104	0.410	5	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.6070	0.000	1	109.6070	0.000	1	109.2104	0.410	5	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H)	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]Si[5]C)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]Si[5]C)	107.3010	0.000	1	106.8925	0.334	2	106.8925	0.334	2	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	H(C[5]C[5,6]Si[5]C)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]Si[5]C)	106.4840	0.000	1	106.8925	0.334	2	106.8925	0.334	2	108.3606	1.195	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	106.8280	0.000	1	106.8280	0.000	1	106.3400	0.476	2	106.9187	4.510	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	105.8520	0.000	1	105.8520	0.000	1	106.3400	0.476	2	106.9187	4.510	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	104.1000	0.987	2	104.1000	0.974	2	104.1000	0.974	2	106.9187	4.510	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	110.2700	0.086	2	110.2700	0.007	2	110.2700	0.007	2	106.9187	4.510	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	106.9490	0.000	1	106.9490	0.000	1	106.9417	0.035	4	106.9187	4.510	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	107.0870	0.000	1	106.9393	0.052	3	106.9417	0.035	4	106.9187	4.510	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	106.8655	0.267	2	106.9393	0.052	3	106.9417	0.035	4	106.9187	4.510	10	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.5000	0.000	1	108.5000	0.000	1	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.4650	0.000	1	107.1831	0.247	9	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.9440	0.000	1	107.1831	0.247	9	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0110	0.000	1	107.1831	0.247	9	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2637	0.253	4	107.1831	0.247	9	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0100	0.000	1	107.1831	0.247	9	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.1630	0.000	1	107.1831	0.247	9	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.6220	0.000	1	106.6220	0.000	1	107.2518	0.397	11	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	105.0660	0.000	1	105.0660	0.000	1	105.0660	0.000	1	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.6850	1.377	2	108.6850	1.897	2	108.6850	1.897	2	107.3004	1.133	14	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H){1|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C[6])	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:2:3:2:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:O[5]-2:C[6]-3:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6])	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|H<1>,1|O<1>,6|C<4>}	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6]){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	106.7920	0.150	2	106.7920	0.022	2	106.7920	0.022	2	106.7920	0.022	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:2:3:3:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H)	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]2C)	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H)	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.4880	0.071	2	108.4880	0.005	2	108.4880	0.005	2	108.4880	0.005	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:2:2:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6]-3:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H)	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]S)	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H)	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.1183	0.473	3	107.1183	0.224	3	107.1183	0.224	3	107.1163	0.149	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H)	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5])	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H){2|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]C[6])	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	107.1163	0.149	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	108.2175	0.892	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.6640	0.000	2	108.6640	0.000	2	108.2506	0.225	5	108.2175	0.892	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.4430	0.000	1	108.4430	0.000	1	108.2506	0.225	5	108.2175	0.892	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.7410	0.021	2	107.7410	0.000	2	108.2506	0.225	5	108.2175	0.892	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2325	0.377	2	107.2325	0.142	2	107.2325	0.142	2	108.2175	0.892	8	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.8430	0.178	2	108.8430	0.032	2	108.5280	0.314	3	108.5280	0.314	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.8980	0.000	1	107.8980	0.000	1	108.5280	0.314	3	108.5280	0.314	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6])	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.9520	0.000	1	107.9520	0.000	1	107.7533	0.082	25	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6])	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.2440	0.000	1	108.2440	0.000	1	107.7533	0.082	25	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.7750	0.045	2	107.7233	0.076	23	107.7533	0.082	25	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){3|H<1>,6|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.7184	0.288	21	107.7233	0.076	23	107.7533	0.082	25	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2{1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.5130	0.016	2	108.5130	0.000	2	108.5130	0.000	2	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	107.9168	0.424	30	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.0593	0.362	3	108.0593	0.131	3	107.8912	0.201	4	107.8912	0.201	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){4|H<1>,6|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]C)	107.3870	0.000	1	107.3870	0.000	1	107.8912	0.201	4	107.8912	0.201	4	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	H(C[5]C[5,6]2C)	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	108.5939	1.356	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.0443	1.166	3	108.0443	1.360	3	108.2763	0.512	8	108.5939	1.356	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H){3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.1255	0.063	2	108.1255	0.004	2	108.2763	0.512	8	108.5939	1.356	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.1940	0.000	1	108.1940	0.000	1	108.2763	0.512	8	108.5939	1.356	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	108.6350	0.000	1	108.8160	0.066	2	108.2763	0.512	8	108.5939	1.356	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	108.9970	0.000	1	108.8160	0.066	2	108.2763	0.512	8	108.5939	1.356	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C)	107.9285	0.244	2	107.9285	0.060	2	107.9285	0.060	2	107.9285	0.060	2	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.5790	0.083	2	106.5790	0.007	2	106.5790	0.007	2	106.4503	0.053	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	106.4503	0.053	3	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	107.4295	1.316	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.4310	0.000	1	108.4310	0.000	1	107.7049	1.174	9	107.4295	1.316	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.5240	0.000	1	107.5240	0.000	1	107.7049	1.174	9	107.4295	1.316	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.9430	0.000	1	107.3732	1.217	6	107.7049	1.174	9	107.4295	1.316	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.4592	1.211	5	107.3732	1.217	6	107.7049	1.174	9	107.4295	1.316	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	109.1500	0.000	1	109.1500	0.000	1	107.7049	1.174	9	107.4295	1.316	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,2|S<2>,4|H<1>}	H(C[5]C[5,6]C[5]C)	106.1280	0.000	1	106.1280	0.000	1	106.1280	0.000	1	107.4295	1.316	11	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,5]C[5,6]C)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]C)	108.3662	0.990	4	108.3662	0.980	4	108.3662	0.980	4	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[3]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H){1|N<4>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	H(C[5]C[5,6]C[3]C[5])	91.3194	0.000	1	91.3194	0.000	1	91.3194	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H)	H(C[5]C[5,6]C[3]C[5])	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H){1|O<2>,6|C<4>,8|H<1>}	H(C[5]C[5,6]C[3]C[5])	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]2C)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]2C)	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H)	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H){1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.4350	0.000	1	108.7413	0.926	4	108.7413	0.926	4	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.8433	1.152	3	108.7413	0.926	4	108.7413	0.926	4	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.9780	0.071	2	108.4162	0.258	4	108.1028	0.417	6	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.8545	0.023	2	108.4162	0.258	4	108.1028	0.417	6	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.2170	0.000	1	107.2170	0.000	1	108.1028	0.417	6	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.7350	0.000	1	107.7350	0.000	1	108.1028	0.417	6	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.2960	0.000	1	109.2960	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.0830	0.000	1	109.0830	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.7750	0.000	1	108.7750	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2490	0.983	2	107.2490	0.966	2	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.8140	0.000	1	106.8140	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0042	0.644	6	107.0042	0.415	6	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.9720	0.016	2	106.9720	0.000	2	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.3880	0.000	1	106.3880	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	106.9580	0.000	1	106.9580	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	105.7610	0.000	1	105.7610	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.7520	0.000	1	107.7520	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.6240	0.000	1	107.6240	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.1850	0.528	2	108.1850	0.278	2	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.6940	0.000	1	109.2550	0.629	2	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.8160	0.000	1	109.2550	0.629	2	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.8950	0.000	1	107.8950	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.9570	0.000	1	107.9570	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Pt<4>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.5440	0.000	1	108.5440	0.000	1	107.6228	1.069	26	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.4430	0.000	1	107.4430	0.000	1	108.4997	2.218	16	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.2210	0.000	1	109.2210	0.000	1	108.4997	2.218	16	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.7260	2.041	3	107.7260	4.164	3	108.4997	2.218	16	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.4523	0.420	8	108.4523	0.177	8	108.4997	2.218	16	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>,4|O<2>}	H(C[5]C[5,6]C[5]C)	107.3650	0.000	1	107.3650	0.000	1	108.4997	2.218	16	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]C)	108.3190	0.000	1	108.3190	0.000	1	108.4997	2.218	16	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	112.8510	0.000	1	112.8510	0.000	1	108.4997	2.218	16	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H){3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C)	107.7820	0.000	1	107.7820	0.000	1	108.2815	0.499	2	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H){3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C)	108.7810	0.000	1	108.7810	0.000	1	108.2815	0.499	2	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	108.4982	0.635	6	108.4982	0.403	6	108.1002	0.451	25	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	108.2570	0.194	2	107.9196	0.325	5	108.1002	0.451	25	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	107.6947	0.664	3	107.9196	0.325	5	108.1002	0.451	25	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	107.9941	0.693	14	107.9941	0.480	14	108.1002	0.451	25	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	H(C[5]C[5,6]C[5]2)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]C[6])	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]S)	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5]C[5,6]C[5]Si)	104.6490	0.000	1	104.6490	0.000	1	104.6490	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:N[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	H(C[5]C[5,6]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]C)	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[5]-4:	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	H(C[5]C[5,6]C[6,6]C[5])	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<1>,3|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6]C[6,6]C[5])	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	107.8434	4.328	95	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:S-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a]){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.7520	0.099	2	107.7520	0.010	2	107.7520	0.010	2	107.1293	1.551	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	107.1293	1.551	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	105.7340	0.000	1	105.7340	0.000	1	105.7340	0.000	1	107.1293	1.551	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.9550	0.314	2	106.9550	0.099	2	106.7603	0.163	3	107.1293	1.551	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	106.3710	0.000	1	106.3710	0.000	1	106.7603	0.163	3	107.1293	1.551	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5,6]C[5]C)	106.0420	0.000	1	106.0420	0.000	1	107.9630	7.380	2	107.1293	1.551	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6])	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	109.8840	0.000	1	109.8840	0.000	1	107.9630	7.380	2	107.1293	1.551	9	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[4]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO)	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[4]C[5])	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,9|H<1>}	H(C[5]C[5,6]C[5]C)	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.8260	0.000	1	106.8567	0.013	4	106.3641	0.867	7	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.8670	0.138	3	106.8567	0.013	4	106.3641	0.867	7	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.2180	0.000	1	106.2180	0.000	1	106.3641	0.867	7	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	104.3330	0.000	1	105.4520	2.504	2	106.3641	0.867	7	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.5710	0.000	1	105.4520	2.504	2	106.3641	0.867	7	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	106.8749	1.450	12	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.1747	0.042	3	107.1747	0.002	3	107.1747	0.002	3	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	105.9850	0.000	1	102.8894	14.328	3	103.3666	10.463	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	101.3417	3.779	2	102.8894	14.328	3	103.3666	10.463	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]C)	104.7980	0.000	1	104.7980	0.000	1	103.3666	10.463	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]C)	105.1590	0.000	1	105.1590	0.000	1	105.1590	0.000	1	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]C)	106.5880	0.096	2	106.5880	0.009	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]C)	105.0480	0.000	1	105.8520	1.293	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.6560	0.000	1	105.8520	1.293	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	108.5450	0.000	1	108.5450	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.3600	0.000	1	107.3600	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.2750	0.000	1	107.2750	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.2035	0.274	2	107.1605	0.023	6	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2185	0.021	2	107.1605	0.023	6	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0030	0.000	1	107.1605	0.023	6	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.1160	0.000	1	107.1605	0.023	6	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.5575	0.218	4	107.5575	0.047	4	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.8246	0.498	9	106.8194	0.556	17	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0197	0.417	3	106.8194	0.556	17	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	104.4740	0.000	1	106.8194	0.556	17	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.0790	0.264	2	106.8194	0.556	17	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.4090	0.212	2	106.8194	0.556	17	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.4871	0.805	15	107.4342	0.562	30	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]C)	108.3150	0.000	1	107.4342	0.562	30	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.4610	0.000	1	107.4342	0.562	30	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.2400	0.049	2	107.4342	0.562	30	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.5450	0.000	1	107.4342	0.562	30	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.0918	0.343	10	107.4342	0.562	30	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.8760	0.332	4	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.1490	0.216	2	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	104.4880	0.000	1	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.2150	0.000	1	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.0445	0.774	2	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.1626	0.351	7	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.9210	0.661	136	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.1497	0.969	4	106.8891	0.473	157	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.5970	0.000	2	107.5970	0.000	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.2080	2.182	2	107.2330	0.915	121	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.2166	0.935	119	107.2330	0.915	121	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	103.0860	0.000	1	103.0860	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.0315	0.347	2	106.0315	0.121	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	105.8185	0.514	2	105.8185	0.264	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	105.6997	0.362	4	105.6997	0.131	4	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.1330	0.000	1	107.1330	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.0370	0.069	2	108.0370	0.005	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.1560	0.000	1	107.1560	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.3720	0.180	2	107.3720	0.032	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|F<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.7763	0.247	4	107.5946	0.153	7	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.8820	0.000	1	107.5946	0.153	7	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	107.0875	0.063	2	107.5946	0.153	7	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.2960	0.000	1	107.2960	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.8060	0.000	1	106.8060	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.4400	0.000	1	106.4400	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.4570	0.000	1	107.4570	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	104.9740	0.000	1	104.9740	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0110	0.000	1	106.8040	0.345	4	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.7350	0.700	3	106.8040	0.345	4	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	105.2287	0.112	3	105.2287	0.013	3	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	106.6810	0.000	1	106.6810	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	105.9210	0.000	1	105.9210	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.6553	1.205	3	108.6553	1.452	3	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C)	108.0265	0.095	2	108.0265	0.009	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.5170	0.000	1	108.3495	1.386	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.1820	0.000	1	108.3495	1.386	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	106.5990	0.000	1	106.1773	0.191	3	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]C)	105.7260	0.000	1	106.1773	0.191	3	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.2070	0.000	1	106.1773	0.191	3	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.3930	0.000	1	106.3930	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.4870	0.000	1	107.4870	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.1877	0.348	3	107.1877	0.121	3	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0120	0.000	1	107.0120	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	106.2260	0.000	1	106.2260	0.000	1	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	105.9585	0.066	2	105.9585	0.004	2	107.0335	0.770	399	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.3510	0.000	1	107.3510	0.000	1	107.3995	0.060	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.6090	0.000	1	107.6090	0.000	1	107.3995	0.060	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,6]C[5]C)	107.0720	0.000	1	107.0720	0.000	1	107.3995	0.060	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.5660	0.000	1	107.5660	0.000	1	107.3995	0.060	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	H(C[5]C[5,6]C[5]C)	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[4]C[5])	103.5505	0.318	4	103.5505	0.101	4	103.5505	0.101	4	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[4]C[5])	103.9110	0.000	1	103.9110	0.000	1	103.9110	0.000	1	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]2)	103.8230	0.000	1	103.8230	0.000	1	106.1405	2.018	10	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]2)	106.8705	0.470	2	106.8705	0.221	2	106.1405	2.018	10	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	106.6380	0.000	1	106.6380	0.000	1	106.1405	2.018	10	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]2)	105.9500	0.000	1	105.9500	0.000	1	106.1405	2.018	10	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]2)	105.6525	0.022	2	105.6525	0.000	2	106.1405	2.018	10	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]2)	104.0830	0.000	1	104.0830	0.000	1	106.1405	2.018	10	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]2)	107.9325	0.296	2	107.9325	0.088	2	106.1405	2.018	10	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]C[6])	107.5625	0.231	2	107.4800	0.047	3	107.4800	0.047	3	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C[6])	107.3150	0.000	1	107.4800	0.047	3	107.4800	0.047	3	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3)	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3){2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]Si)	105.9240	0.000	1	105.9240	0.000	1	105.9240	0.000	1	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]C[6])	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.9472	1.133	433	110.3364	2.665	10476	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:3:4:1:	4:3:4:1:	4:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	109.2445	0.419	4	109.2445	0.175	4	109.2445	0.175	4	109.2445	0.175	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	2:4:1:1:	4:	O[5]-2:C[5]-4:H-1:H-1:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.7470	0.334	4	110.6831	20.602	40	110.7906	13.681	60	110.5716	11.176	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	2:4:1:1:	4:	O[5]-2:C[5]-4:H-1:H-1:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	110.6761	4.790	36	110.6831	20.602	40	110.7906	13.681	60	110.5716	11.176	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	2:4:1:1:	4:	O[5]-2:C[5]-4:H-1:H-1:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2{2|C<4>}	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	111.0054	0.350	20	111.0054	0.123	20	110.7906	13.681	60	110.5716	11.176	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	2:4:1:1:	4:	S[5]-2:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2{2|C<4>}	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	110.0163	0.181	3	110.0163	0.033	3	109.6957	0.389	15	110.5716	11.176	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	2:4:1:1:	4:	S[5]-2:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	110.2845	0.217	4	109.6156	0.454	12	109.6957	0.389	15	110.5716	11.176	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	2:4:1:1:	4:	S[5]-2:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{2|C<4>}	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	109.2811	0.557	8	109.6156	0.454	12	109.6957	0.389	15	110.5716	11.176	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	2:4:4:1:	4:	O[5]-2:C[5]-4:H-1:H-1:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	111.2310	0.148	6	111.2310	0.022	6	111.2310	0.022	6	111.2310	0.022	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	3:4:1:1:	4:	S[5]-2:C[5]-4:H-1:H-1:	O[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2{1|O<1>,1|S<2>,6|C<4>}	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,6|C<4>}	H(C[5]C[5]S[5]H)	109.8101	0.120	8	109.8101	0.014	8	109.8101	0.014	8	109.5932	0.134	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	3:4:1:1:	4:	S[5]-2:C[5]-4:H-1:H-1:	S[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2{2|Cl<1>,1|S<2>,6|C<4>}	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{2|Cl<1>,1|S<2>,2|H<1>,6|C<4>}	H(C[5]C[5]S[5]H)	109.1595	0.285	4	109.1595	0.081	4	109.1595	0.081	4	109.5932	0.134	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:1:1:	4:4:2:1:	4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.7334	0.144	24	110.7334	0.021	24	110.7334	0.021	24	110.7334	0.021	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:3:1:	2:4:3:1:	4:	O[5]-2:C[5]-4:C[5]-3:H-1:	O[5]-2:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(C[5]O[5]O)(H)	H(C[5]C[5]2O[5])	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(C[5]O[5]O)(H){1|Nb<8>,1|O<1>,7|O<2>}	C[5](O[5]Nb[3,3,5,5])(C[5]C[5]O[5]H)(C[5]O[5]O)(H){1|Nb<8>,1|O<1>,7|O<2>}	H(C[5]C[5]2O[5])	108.8985	0.105	2	108.8985	0.011	2	108.8985	0.011	2	108.8985	0.011	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:4:1:	2:4:1:1:	4:	O[5]-2:C[5]-4:C-4:H-1:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	110.4637	0.278	3	110.4637	0.077	3	110.4637	0.077	3	110.4637	0.077	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	2:4:4:1:	2:4:4:1:	4:	O[5]-2:C[5]-4:C-4:H-1:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H)	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H){1|C<4>,2|O<2>}	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H){1|C<4>,2|O<2>}	H(C[5]C[5]O[5]C)	109.2540	0.190	2	109.2540	0.036	2	109.2540	0.036	2	109.2540	0.036	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:2:4:1:	4:3:4:1:	4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5945	0.127	2	108.5945	0.016	2	108.5945	0.016	2	108.5945	0.016	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:2:4:1:	4:4:4:1:	4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	3:3:4:1:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H)	H(C[5]C[5,6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H){2|H<1>,2|N<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H){2|H<1>,2|N<2>,6|C<3>}	H(C[5]C[5,6a]2C[5])	109.2225	0.958	2	109.2225	0.918	2	110.2155	1.685	4	111.4686	0.385	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	3:3:4:1:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H)	H(C[5]C[5,6a]2C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H){10|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H){10|C<3>}	H(C[5]C[5,6a]2C[5])	111.2085	0.438	2	111.2085	0.192	2	110.2155	1.685	4	111.4686	0.385	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	3:3:4:1:	4:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	H(C[5]C[5]N[5]2)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	H(C[5]C[5]N[5]2)	111.5980	0.393	46	111.5980	0.154	46	111.5730	0.165	48	111.4686	0.385	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	3:3:4:1:	4:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H)	H(C[5]C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,2|N<3>,6|C<3>}	H(C[5]C[5]N[5]2)	110.9990	0.385	2	110.9990	0.148	2	111.5730	0.165	48	111.4686	0.385	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	3:3:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH)	H(C[5]C[5,6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH){2|H<1>,8|C<3>}	H(C[5]C[5,6a]2C[5])	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5a]C[5]N[5])	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[5]C[6a]C[5]N[5])	109.2590	0.488	5	109.2590	0.238	5	109.2590	0.238	5	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2	H(C[5]N[5,5,6]C[6a]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2{1|C<4>,1|S<2>,3|C<3>}	H(C[5]N[5,5,6]C[6a]C[5])	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5,5]C[6a]C[5])	109.2160	0.778	2	109.2160	0.605	2	108.7233	0.282	12	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.7450	0.000	1	108.6247	0.213	10	108.7233	0.282	12	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	107.7650	0.000	1	108.6247	0.213	10	108.7233	0.282	12	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.4210	0.000	1	108.6247	0.213	10	108.7233	0.282	12	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{2|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.0660	0.000	1	108.6247	0.213	10	108.7233	0.282	12	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.5417	0.241	6	108.6247	0.213	10	108.7233	0.282	12	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H)	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2{1|N<3>,3|C<3>}	H(C[5]N[5,6]C[5]2)	110.1305	0.302	2	110.1305	0.091	2	110.1305	0.091	2	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.7097	0.129	3	108.7097	0.017	3	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.7254	0.550	9	109.3925	0.515	13	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{2|C<4>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.5800	0.000	1	109.3925	0.515	13	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.3745	0.098	2	109.3925	0.515	13	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.2440	0.000	1	109.3925	0.515	13	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.6300	0.247	2	109.5046	0.219	13	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.7605	0.045	2	109.5046	0.219	13	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<2>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.4199	0.541	9	109.5046	0.219	13	109.3721	0.371	29	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5080	0.057	3	109.5080	0.003	3	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5880	0.000	2	109.5880	0.000	2	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7616	0.205	5	109.7967	0.041	6	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9720	0.000	1	109.7967	0.041	6	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2790	0.000	1	110.2790	0.000	1	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0260	0.000	1	110.0260	0.000	1	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1340	0.000	1	109.0489	3.332	7	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5290	0.000	1	109.0489	3.332	7	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4495	2.342	4	109.0489	3.332	7	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8810	0.000	1	109.0489	3.332	7	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6950	0.000	1	109.6950	0.000	1	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9380	0.000	1	109.9380	0.000	1	109.5345	1.108	22	109.3078	0.638	72	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2690	0.000	1	109.2690	0.000	1	109.2690	0.000	1	109.2690	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H){1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.5530	0.474	3	109.5530	0.225	3	109.5530	0.225	3	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.6020	0.000	1	110.1028	0.233	4	110.1028	0.233	4	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.9363	0.429	3	110.1028	0.233	4	110.1028	0.233	4	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.0060	0.000	1	109.0454	0.420	8	108.9979	0.403	10	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.5920	0.000	1	109.0454	0.420	8	108.9979	0.403	10	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.4350	0.355	4	109.0454	0.420	8	108.9979	0.403	10	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.5125	0.084	2	109.0454	0.420	8	108.9979	0.403	10	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8080	0.775	2	108.8080	0.601	2	108.9979	0.403	10	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2550	0.000	1	109.2550	0.000	1	109.6771	0.462	15	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	111.0540	0.000	1	109.8640	2.832	2	109.6771	0.462	15	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6740	0.000	1	109.8640	2.832	2	109.6771	0.462	15	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.3380	0.000	1	108.3380	0.000	1	109.6771	0.462	15	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.1647	0.376	3	109.8033	0.143	11	109.6771	0.462	15	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.6677	0.294	8	109.8033	0.143	11	109.6771	0.462	15	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H){1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H){4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	109.4925	0.503	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:2:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN){1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	109.3030	0.486	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:2:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.3030	0.486	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH){3|C<3>}	H(C[5]C[6a]C[5]2)	108.8260	1.612	2	108.8260	2.599	2	108.8260	2.599	2	108.8260	2.599	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:2:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	104.0660	0.000	1	104.0660	0.000	1	104.0660	0.000	1	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.3667	0.161	3	108.3667	0.026	3	108.3667	0.026	3	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.0300	0.093	2	108.0300	0.009	2	108.2010	0.045	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.3090	0.000	1	108.3720	0.008	2	108.2010	0.045	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4350	0.000	1	108.3720	0.008	2	108.2010	0.045	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2740	0.000	1	109.2740	0.000	1	108.9815	0.171	2	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6890	0.000	1	108.6890	0.000	1	108.9815	0.171	2	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	109.7190	0.000	1	109.7190	0.000	1	109.7742	0.014	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5a]C[5]N[5])	109.8400	0.154	2	109.8400	0.024	2	109.7742	0.014	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	109.6980	0.000	1	109.6980	0.000	1	109.7742	0.014	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H){7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1260	0.000	1	108.1260	0.000	1	109.2210	2.398	2	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3160	0.000	1	110.3160	0.000	1	109.2210	2.398	2	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.7670	0.335	2	109.0697	0.331	3	109.0499	1.007	10	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.6750	0.000	1	109.0697	0.331	3	109.0499	1.007	10	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.5793	0.892	4	109.0414	1.400	7	109.0499	1.007	10	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.1740	1.782	2	109.0414	1.400	7	109.0499	1.007	10	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.6250	0.000	1	109.0414	1.400	7	109.0499	1.007	10	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5,5]C[6a]C[5])	109.2950	0.133	2	109.2950	0.018	2	109.2950	0.018	2	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2{4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<2>,3|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.0240	0.000	1	109.0935	0.032	4	109.0935	0.032	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.1167	0.210	3	109.0935	0.032	4	109.0935	0.032	4	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]N[5,6]C[6a]C[5])	109.6490	0.000	1	111.4906	3.220	5	111.4906	3.220	5	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	111.7560	2.023	3	111.4906	3.220	5	111.4906	3.220	5	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]N[5,6]C[6a]C[5])	112.5360	0.000	1	111.4906	3.220	5	111.4906	3.220	5	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.5310	0.127	3	110.5310	0.016	3	110.3312	0.121	5	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.0315	0.391	2	110.0315	0.153	2	110.3312	0.121	5	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.7100	0.000	1	110.7100	0.000	1	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4470	0.000	1	110.4470	0.000	1	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3625	0.088	2	109.6347	0.226	3	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1790	0.000	1	109.6347	0.226	3	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8319	0.414	14	109.8319	0.171	14	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9270	0.000	1	109.9270	0.000	1	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2{1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1430	0.000	1	109.1430	0.000	1	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1123	0.256	3	110.0189	0.866	40	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	111.5840	0.000	1	110.0189	0.866	40	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.6640	1.270	3	110.0189	0.866	40	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0030	0.000	1	110.0189	0.866	40	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9013	0.920	32	110.0189	0.866	40	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4020	0.000	1	110.1113	0.094	3	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9660	0.246	2	110.1113	0.094	3	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9840	0.000	1	109.9840	0.000	1	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0930	0.589	7	109.0930	0.347	7	109.8820	0.645	72	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6360	0.000	1	108.6360	0.000	1	108.5668	0.188	6	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8550	0.000	1	108.8550	0.000	1	108.5668	0.188	6	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4775	0.522	4	108.4775	0.273	4	108.5668	0.188	6	109.6157	1.259	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:2:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1140	1.134	3	109.1140	1.285	3	109.1140	1.285	3	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H){4|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	107.6745	0.384	2	107.6745	0.147	2	107.6745	0.147	2	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.2730	0.000	1	106.2730	0.000	1	106.2730	0.000	1	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8005	0.077	2	108.8005	0.006	2	108.8005	0.006	2	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H){5|C<3>}	H(C[5]C[6a]C[5]2)	109.9240	0.076	2	109.9240	0.006	2	109.9240	0.006	2	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<2>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.6890	0.000	1	109.5805	0.024	2	109.5805	0.024	2	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.4720	0.000	1	109.5805	0.024	2	109.5805	0.024	2	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H){1|S<4>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	109.0185	1.367	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:2:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH){1|S<2>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	106.4490	0.000	1	106.4490	0.000	1	106.4490	0.000	1	108.3533	1.663	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:2:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN){1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1455	0.064	2	109.1455	0.004	2	109.1455	0.004	2	108.3533	1.663	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN){6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.3533	1.663	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:3:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2{4|C<3>}	H(C[5]C[5,6a]N[5a]C[5])	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	109.0817	0.191	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2500	0.460	2	109.2500	0.211	2	109.2500	0.211	2	109.0817	0.191	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH){5|C<3>}	H(C[5]C[6a]C[5]2)	109.4538	0.533	5	109.5629	0.522	7	109.5629	0.522	7	109.5629	0.522	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH){5|C<3>}	H(C[5]C[6a]C[5]2)	109.8355	1.336	2	109.5629	0.522	7	109.5629	0.522	7	109.5629	0.522	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H){4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H){4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.6920	0.008	2	108.6920	0.000	2	108.6920	0.000	2	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.0280	0.314	2	109.0280	0.099	2	109.0280	0.099	2	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.5060	0.000	1	109.5060	0.000	1	109.5095	0.000	2	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.5130	0.000	1	109.5130	0.000	1	109.5095	0.000	2	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H){5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7850	0.000	1	109.1740	0.183	3	109.1119	0.376	8	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3685	0.373	2	109.1740	0.183	3	109.1119	0.376	8	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0400	0.000	1	109.0400	0.000	1	109.1119	0.376	8	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3395	0.158	2	108.3395	0.025	2	109.1119	0.376	8	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8270	0.106	2	109.8270	0.011	2	109.1119	0.376	8	109.0179	0.315	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	106.7410	2.563	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:3:4:4:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	105.6090	0.000	1	105.6090	0.000	1	105.6090	0.000	1	106.7410	2.563	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.1370	0.455	21	108.1956	0.257	23	108.1441	0.223	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8100	0.830	2	108.1956	0.257	23	108.1441	0.223	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|B<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2{2|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.8850	0.379	2	107.8850	0.144	2	108.1441	0.223	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.9110	0.000	1	107.9110	0.000	1	108.1441	0.223	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.0578	0.386	5	108.0578	0.149	5	108.1441	0.223	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	H(C[5]C[5,6a]N[5a]C[5])	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]N[5a]C[5])	110.2370	0.526	2	110.2370	0.277	2	110.2370	0.277	2	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]N[6,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	H(C[5]C[5,6a]N[6,6]C[5])	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2	H(C[5]N[5,5]C[5a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	H(C[5]N[5,5]C[5a]C[5])	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.0700	0.000	1	109.0370	0.375	6	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.8540	0.000	1	109.0370	0.375	6	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ni<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.5710	0.195	2	109.0370	0.375	6	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.0780	0.544	2	109.0370	0.375	6	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2{1|S<2>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.9665	0.699	4	108.9665	0.488	4	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	110.2300	0.000	1	109.6940	0.575	2	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.1580	0.000	1	109.6940	0.575	2	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	110.2480	0.000	1	110.2480	0.000	1	109.2095	0.490	13	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.2900	0.000	1	109.2900	0.000	1	109.2420	0.014	4	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.3720	0.000	1	109.3720	0.000	1	109.2420	0.014	4	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.0880	0.000	1	109.0880	0.000	1	109.2420	0.014	4	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2{4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.2180	0.000	1	109.2180	0.000	1	109.2420	0.014	4	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5a]C[5])	109.8120	0.000	1	109.8120	0.000	1	109.3708	0.375	18	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5a]C[5])	109.7438	0.579	5	109.7438	0.335	5	109.3708	0.375	18	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5a]C[5])	109.3692	0.524	9	109.1787	0.337	12	109.3708	0.375	18	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5a]C[5])	108.6070	0.318	3	109.1787	0.337	12	109.3708	0.375	18	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.3093	0.306	9	109.3093	0.094	9	109.3093	0.094	9	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	112.8270	0.000	1	112.8270	0.000	1	109.7544	4.098	5	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]N[5,6]C[6a]C[5])	107.1320	0.000	1	107.1320	0.000	1	109.7544	4.098	5	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.6740	0.000	1	109.6043	0.004	3	109.7544	4.098	5	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.5695	0.002	2	109.6043	0.004	3	109.7544	4.098	5	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	H(C[5]C[5a]C[5]N[5])	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3990	0.571	5	109.3990	0.326	5	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2313	0.852	4	109.2313	0.726	4	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2770	0.000	1	109.7075	0.371	2	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1380	0.000	1	109.7075	0.371	2	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5820	0.000	1	109.5820	0.000	1	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0360	0.649	2	109.2937	0.351	7	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0230	0.000	1	109.2937	0.351	7	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4903	0.664	4	109.2937	0.351	7	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5350	0.000	1	109.5350	0.000	1	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7800	0.000	1	109.7895	0.000	2	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7990	0.000	1	109.7895	0.000	2	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5080	0.000	1	108.5080	0.000	1	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9690	0.249	2	109.9690	0.062	2	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1218	0.817	6	109.1218	0.668	6	109.3634	0.399	31	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:1:1:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]N[5])	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	109.0387	0.746	123	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H){6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.7390	1.402	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	108.7390	1.402	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H){6|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	110.9690	0.000	1	110.9690	0.000	1	109.9375	2.128	2	108.7390	1.402	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H){4|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	108.9060	0.000	1	108.9060	0.000	1	109.9375	2.128	2	108.7390	1.402	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.7390	1.402	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8010	0.000	1	108.3850	0.682	2	108.3850	0.682	2	108.7390	1.402	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:2:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9690	0.000	1	108.3850	0.682	2	108.3850	0.682	2	108.7390	1.402	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	108.5450	0.000	1	108.5450	0.000	1	108.7290	0.068	2	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	108.9130	0.000	1	108.9130	0.000	1	108.7290	0.068	2	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H){1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.5490	0.000	1	109.5490	0.000	1	108.8776	0.120	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H){6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.7795	0.148	2	108.7795	0.022	2	108.8776	0.120	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H){6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.8150	0.257	3	108.8150	0.066	3	108.8776	0.120	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H){4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.5900	0.000	1	108.5900	0.000	1	108.8776	0.120	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H){1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]N[5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	H(C[5]C[5,5a]N[5a]C[5])	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2520	0.000	1	109.2520	0.000	1	108.3875	1.495	2	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.5230	0.000	1	107.5230	0.000	1	108.3875	1.495	2	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){5|C<3>}	H(C[5]C[6a]C[5]2)	108.6930	0.000	1	108.6930	0.000	1	108.2163	0.491	3	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.9780	0.800	2	107.9780	0.641	2	108.2163	0.491	3	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H){1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5a]C[5]N[5])	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H){1|H<1>,2|C<4>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6505	0.153	2	108.6505	0.024	2	108.6505	0.024	2	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.7804	0.942	5	107.8623	0.751	6	108.1367	1.153	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2720	0.000	1	107.8623	0.751	6	108.1367	1.153	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H){1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7830	0.000	1	109.7830	0.000	1	108.1367	1.153	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	103.7550	0.000	1	103.7550	0.000	1	109.0278	9.412	6	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.5220	0.000	1	108.5220	0.000	1	109.0278	9.412	6	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.3300	0.000	1	109.3300	0.000	1	109.0278	9.412	6	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	110.8533	2.111	3	110.8533	4.456	3	109.0278	9.412	6	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H){6|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.3205	0.296	2	109.3205	0.088	2	109.4146	0.381	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H){6|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.3920	0.000	1	109.8130	0.214	3	109.4146	0.381	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H){6|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	110.0235	0.402	2	109.8130	0.214	3	109.4146	0.381	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H){4|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.5310	0.000	1	109.5310	0.000	1	109.4146	0.381	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H){1|N<3>,3|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	108.2910	0.000	1	108.2910	0.000	1	109.4146	0.381	7	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){2|C<4>,2|H<1>,7|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H)	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H){5|C<3>}	H(C[5]C[5a]C[5]N[5])	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	105.9660	0.332	2	107.9310	2.506	6	108.8502	3.973	10	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3720	0.000	1	107.9310	2.506	6	108.8502	3.973	10	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0940	0.471	3	107.9310	2.506	6	108.8502	3.973	10	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H){1|S<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	112.9950	0.000	1	112.9950	0.000	1	108.8502	3.973	10	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9550	0.000	1	108.9550	0.000	1	108.8502	3.973	10	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H){5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7700	0.000	1	109.7700	0.000	1	108.8502	3.973	10	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1960	0.000	1	109.1960	0.000	1	108.8502	3.973	10	108.8476	2.065	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:2:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6210	0.000	2	108.6210	0.000	2	108.6210	0.000	2	108.6210	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2{4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.0710	0.000	1	106.0710	0.000	1	106.0710	0.000	1	108.1013	3.752	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.1013	3.752	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2{4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	108.1013	3.752	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	B[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|B<3>,2|F<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H){1|B<3>,1|H<1>,3|C<3>}	H(C[5]C[6a]B[5]C[5])	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[6a]C[5])	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H){1|N<3>,7|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H){1|S<2>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.3050	0.000	1	110.3050	0.000	1	108.9745	0.916	4	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6725	0.517	2	108.6725	0.267	2	108.9745	0.916	4	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.2480	0.000	1	108.2480	0.000	1	108.9745	0.916	4	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.6170	0.129	2	106.6170	0.017	2	107.5080	2.390	3	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2900	0.000	1	109.2900	0.000	1	107.5080	2.390	3	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8420	0.000	1	108.8420	0.000	1	108.9197	0.058	3	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.1900	0.000	1	109.1900	0.000	1	108.9197	0.058	3	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7270	0.000	1	108.7270	0.000	1	108.9197	0.058	3	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,5]C[6a]C[5])	107.9860	0.000	1	108.0435	0.007	2	108.0435	0.007	2	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,5]C[6a]C[5])	108.1010	0.000	1	108.0435	0.007	2	108.0435	0.007	2	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4850	0.000	1	109.4850	0.000	1	109.5775	0.017	2	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6700	0.000	1	109.6700	0.000	1	109.5775	0.017	2	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|P<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H){3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7350	0.328	2	108.7350	0.108	2	108.7350	0.108	2	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	108.5171	1.202	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:4:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2{1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	107.5804	1.972	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:4:	4:	N[5]-3:B[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H)	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]B[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H){3|C<4>,4|C<3>,4|H<1>}	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2{1|B<3>,1|C<3>,3|C<4>}	H(C[5]B[5]C[5]N[5])	105.5490	0.000	1	105.5490	0.000	1	107.0495	4.503	2	107.5804	1.972	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:4:	4:	N[5]-3:B[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H)	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]B[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5]B[5]C[5]N[5])	108.5500	0.000	1	108.5500	0.000	1	107.0495	4.503	2	107.5804	1.972	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:4:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	H(C[5]N[5a]C[5]N[5])	107.3160	0.000	1	107.3160	0.000	1	107.2960	0.001	2	107.5804	1.972	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:3:4:1:	4:4:4:4:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	H(C[5]N[5a]C[5]N[5])	107.2760	0.000	1	107.2760	0.000	1	107.2960	0.001	2	107.5804	1.972	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	2:4:1:1:	4:	O[5,5]-3:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2	H(C[5]O[5,5]C[5]H)	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,6|C<4>}	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2{1|O<1>,1|S<2>,6|C<4>}	H(C[5]O[5,5]C[5]H)	110.2445	0.097	8	110.2445	0.009	8	110.2445	0.009	8	110.0022	0.189	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	2:4:1:1:	4:	S[5,5]-3:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2	H(C[5]S[5,5]C[5]H)	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{2|Cl<1>,1|S<2>,2|H<1>,6|C<4>}	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2{2|Cl<1>,1|S<2>,6|C<4>}	H(C[5]S[5,5]C[5]H)	109.5175	0.450	4	109.5175	0.203	4	109.5175	0.203	4	110.0022	0.189	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[4,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[4,5]C[5]H)	111.4037	0.090	3	111.4037	0.008	3	111.4037	0.008	3	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]H)	110.8997	0.046	4	110.8997	0.002	4	110.8997	0.002	4	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5,5a]C[5]H)	111.1437	0.087	3	111.1437	0.008	3	111.2106	0.012	5	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.3110	0.018	2	111.3110	0.000	2	111.2106	0.012	5	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.6890	0.040	2	110.6890	0.002	2	110.6890	0.002	2	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7040	0.035	2	110.7040	0.001	2	110.9143	0.133	3	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.3350	0.000	1	111.3350	0.000	1	110.9143	0.133	3	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7580	0.031	2	110.7580	0.001	2	110.7580	0.001	2	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7697	0.557	927	110.7730	0.317	931	110.7730	0.317	931	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8015	1.563	2	110.7730	0.317	931	110.7730	0.317	931	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	112.2690	0.283	2	110.7730	0.317	931	110.7730	0.317	931	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8876	0.096	14	110.8906	0.008	16	110.8994	0.006	24	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.9115	0.009	2	110.8906	0.008	16	110.8994	0.006	24	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9430	0.006	2	110.9170	0.000	8	110.8994	0.006	24	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9083	0.018	6	110.9170	0.000	8	110.8994	0.006	24	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7635	0.012	4	110.7635	0.000	4	110.7915	0.001	8	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8195	0.026	4	110.8195	0.001	4	110.7915	0.001	8	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8040	0.000	1	110.8040	0.000	1	111.0082	0.037	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8760	0.028	2	110.8760	0.001	2	111.0082	0.037	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3915	0.028	2	111.0602	0.038	9	111.0082	0.037	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0130	0.021	2	111.0602	0.038	9	111.0082	0.037	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9466	0.065	5	111.0602	0.038	9	111.0082	0.037	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8965	0.030	2	110.8965	0.001	2	110.8897	0.009	24	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9660	0.004	2	110.9660	0.000	2	110.8897	0.009	24	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8814	0.099	20	110.8814	0.010	20	110.8897	0.009	24	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5390	0.028	2	111.2521	0.147	10	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1804	0.399	8	111.2521	0.147	10	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8810	0.000	1	110.9917	0.009	3	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0470	0.020	2	110.9917	0.009	3	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8055	0.045	4	110.8471	0.009	8	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8888	0.122	4	110.8471	0.009	8	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2125	0.083	10	111.2156	0.194	37	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	H(C[5]C[5,6a]C[5]H)	111.1217	0.107	11	111.2156	0.194	37	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3336	0.699	14	111.2156	0.194	37	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9215	0.016	2	111.2156	0.194	37	111.1595	0.166	58	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.2745	0.060	4	110.2745	0.004	4	110.2745	0.004	4	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7330	0.043	4	110.7330	0.002	4	110.7330	0.002	4	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.3610	0.085	4	110.3610	0.007	4	110.3162	0.009	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	110.2265	0.005	2	110.2265	0.000	2	110.3162	0.009	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5532	0.111	15	110.5361	0.013	17	110.4572	0.025	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4080	0.013	2	110.5361	0.013	17	110.4572	0.025	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,3|C<3>}	H(C[5]C[5]2H)	110.1730	0.008	2	110.2895	0.007	8	110.4572	0.025	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3283	0.049	6	110.2895	0.007	8	110.4572	0.025	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]S[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]S[5])(C[5]C[5]HH)(H)2{1|Fe<10>,3|C<4>}	C[5](C[5]C[5]S[5])(C[5]C[5]HH)(H)2{1|Fe<10>,3|C<4>}	H(C[5]C[5]2H)	109.9860	0.011	2	109.9860	0.000	2	109.9860	0.000	2	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]HH)(H)2{3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9260	0.038	2	110.9260	0.001	2	110.9260	0.001	2	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2{3|C<4>}	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	111.0840	0.000	1	111.0840	0.000	1	111.1947	0.009	3	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>}	H(C[5]C[5]2H)	111.2500	0.023	2	111.2500	0.001	2	111.1947	0.009	3	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	111.7392	2.277	12	111.7392	5.184	12	111.5443	3.924	16	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[5]N[5,5]C[5]H)	110.9845	0.018	2	110.9845	0.000	2	111.5443	3.924	16	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	110.9345	0.019	2	110.9345	0.000	2	111.5443	3.924	16	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Ge<4>,1|N<3>,2|C<4>}	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2{1|Ge<4>,1|C<3>,3|C<4>}	H(C[5]N[5,5]C[5]H)	111.4042	0.046	5	111.4042	0.002	5	111.1638	0.297	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|S<1>,1|S<2>,2|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|S<2>,3|C<3>}	H(C[5]N[5,5]C[5]H)	111.3603	0.051	3	111.3603	0.003	3	111.1638	0.297	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	H(C[5]N[5,5]C[5]H)	111.3135	0.059	2	111.3135	0.003	2	111.1638	0.297	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|P<4>,3|C<3>}	H(C[5]N[5,5]C[5]H)	110.1180	0.781	2	110.1180	0.609	2	111.1638	0.297	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	111.1135	0.014	4	111.1135	0.000	4	111.1290	0.001	8	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	111.1445	0.047	4	111.1445	0.002	4	111.1290	0.001	8	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|B<4>,1|N<3>,2|C<4>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|B<4>,1|C<3>,3|C<4>}	H(C[5]N[5,5a]C[5]H)	111.5845	0.036	2	111.5257	0.007	6	111.5257	0.007	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	H(C[5]N[5,5a]C[5]H)	111.4963	0.087	4	111.5257	0.007	6	111.5257	0.007	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.5200	0.008	2	110.5200	0.000	2	110.5200	0.000	2	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.9650	0.000	1	110.9650	0.000	1	110.3311	11.989	13	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.6705	0.011	2	110.6705	0.000	2	110.3311	11.989	13	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	107.6230	11.243	2	110.1998	15.896	10	110.3311	11.989	13	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9835	0.022	2	110.1998	15.896	10	110.3311	11.989	13	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.7975	0.039	6	110.1998	15.896	10	110.3311	11.989	13	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]HH)(H)2{3|C<4>}	H(C[5]N[5,6]C[5]H)	110.5985	0.011	2	110.5985	0.000	2	110.5985	0.000	2	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]N[5,6]C[5]H)	111.0355	0.026	4	110.9301	0.132	12	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.8732	0.387	4	110.9301	0.132	12	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.8815	0.557	4	110.9301	0.132	12	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.6815	0.152	4	110.6815	0.023	4	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Li<6>,1|C<4>,2|C<3>,2|O<3>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Li<6>,1|C<4>,2|C<3>,2|O<3>}	H(C[5]N[5,6]C[5]H)	109.8363	0.117	4	109.8219	0.614	16	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|P<2>,2|C<3>,2|O<2>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|P<2>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	110.1343	0.319	4	109.8219	0.614	16	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>,3|O<2>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>,3|O<2>}	H(C[5]N[5,6]C[5]H)	110.6497	0.312	4	109.8219	0.614	16	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[5]N[5,6]C[5]H)	108.6675	0.196	4	109.8219	0.614	16	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|O<2>}	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|O<2>}	H(C[5]N[5,6]C[5]H)	109.6190	0.131	3	109.6190	0.017	3	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	109.4813	0.063	4	109.4042	0.161	22	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	108.6322	0.177	4	109.4042	0.161	22	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|O<2>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|O<2>}	H(C[5]N[5,6]C[5]H)	109.8152	0.039	4	109.4042	0.161	22	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,1|O<3>,2|C<3>,2|O<2>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,1|O<3>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	109.4993	0.059	4	109.4042	0.161	22	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|O<2>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	109.4775	0.082	4	109.4042	0.161	22	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|O<2>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|O<2>}	H(C[5]N[5,6]C[5]H)	109.6355	0.025	2	109.4042	0.161	22	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.4777	0.041	3	110.3532	0.045	13	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>,2|N<2>,2|O<2>}	H(C[5]N[5,6]C[5]H)	110.3360	0.023	2	110.3532	0.045	13	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<3>}	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.3107	0.259	8	110.3532	0.045	13	110.0197	0.540	70	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.3790	0.000	1	111.3790	0.000	1	111.9238	1.410	9	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.3390	0.008	2	111.3263	0.001	4	111.9238	1.410	9	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.3135	0.040	2	111.3263	0.001	4	111.9238	1.410	9	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.4085	0.006	2	112.6575	2.467	4	111.9238	1.410	9	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{4|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{4|C<3>}	H(C[5]N[5,6]C[5]H)	113.9065	1.077	2	112.6575	2.467	4	111.9238	1.410	9	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	110.9010	0.035	2	110.9010	0.001	2	110.8895	0.007	23	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	110.8300	0.028	2	110.8300	0.001	2	110.8895	0.007	23	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	110.8946	0.088	19	110.8946	0.008	19	110.8895	0.007	23	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2{4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	111.1540	0.086	2	111.1540	0.007	2	111.1273	0.004	4	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2{4|C<3>}	H(C[5]N[5,6a]C[5]H)	111.1005	0.042	2	111.1005	0.002	2	111.1273	0.004	4	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	111.8395	1.455	4	111.6583	1.349	6	111.6583	1.349	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	111.2960	0.007	2	111.6583	1.349	6	111.6583	1.349	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:Cl-1:H-1:	N[5]-3:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H)	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H)	H(C[5]C[5]N[5]Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H){1|Cl<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H){1|Cl<1>,3|C<3>}	H(C[5]C[5]N[5]Cl)	116.9015	0.822	2	116.9015	0.676	2	116.9015	0.676	2	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.6785	0.026	2	110.6785	0.001	2	110.6788	0.001	4	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.6790	0.038	2	110.6790	0.001	2	110.6788	0.001	4	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2236	1.046	8	111.1105	0.908	10	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.6580	0.083	2	111.1105	0.908	10	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8290	0.000	1	110.8920	0.004	3	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9235	0.050	2	110.8920	0.004	3	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8177	0.030	3	110.7787	0.005	7	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7495	0.085	4	110.7787	0.005	7	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8057	0.081	10	110.8441	0.311	40	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5835	0.030	2	110.8441	0.311	40	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8383	0.125	12	110.8441	0.311	40	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9051	0.883	16	110.8441	0.311	40	110.8833	0.356	60	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5]N[5]H)	111.3645	0.030	2	111.3645	0.001	2	111.3877	0.002	3	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>}	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	111.4340	0.000	1	111.4340	0.000	1	111.3877	0.002	3	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2{1|Ge<4>,1|C<3>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Ge<4>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.2525	0.185	6	111.2525	0.034	6	111.0254	0.093	14	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|S<2>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|S<1>,1|S<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.7670	0.051	4	110.7670	0.003	4	111.0254	0.093	14	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2685	0.036	2	111.2685	0.001	2	111.0254	0.093	14	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|P<4>,3|C<3>}	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6175	0.060	2	110.6175	0.004	2	111.0254	0.093	14	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|B<4>,1|C<3>,3|C<4>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|B<4>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0590	0.049	2	111.2915	0.038	6	111.2915	0.038	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.4077	0.094	4	111.2915	0.038	6	111.2915	0.038	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.6415	0.033	2	111.6415	0.001	2	111.0599	0.831	10	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4610	0.031	2	111.1388	0.139	4	111.0599	0.831	10	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|N<3>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8165	0.016	2	111.1388	0.139	4	111.0599	0.831	10	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3565	0.011	2	110.6902	1.938	4	111.0599	0.831	10	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{4|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	110.0240	2.010	2	110.6902	1.938	4	111.0599	0.831	10	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.4150	1.595	4	111.2478	1.593	6	111.2478	1.593	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9135	0.006	2	111.2478	1.593	6	111.2478	1.593	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1810	0.049	2	111.3632	0.046	4	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.5455	0.035	2	111.3632	0.046	4	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8270	0.175	3	111.9366	2.223	21	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	112.1215	1.536	18	111.9366	2.223	21	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|O<2>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1350	0.109	3	111.1350	0.012	3	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.2495	0.006	2	111.2495	0.000	2	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5]N[5]H)	111.2382	0.032	4	111.2382	0.001	4	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Mg<6>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mg<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4547	0.043	4	111.3989	0.010	10	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<3>,1|H<1>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2670	0.030	2	111.3989	0.010	10	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|Ru<9>,1|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3270	0.047	2	111.3989	0.010	10	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4910	0.068	2	111.3989	0.010	10	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.3878	0.053	4	111.2940	0.022	11	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>}	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.2404	0.160	7	111.2940	0.022	11	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1413	0.120	6	110.8570	0.049	39	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8460	0.060	6	110.8570	0.049	39	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6857	0.160	8	110.8570	0.049	39	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7623	0.014	3	110.8570	0.049	39	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Li<3>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Li<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2040	0.024	4	110.8570	0.049	39	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8575	0.119	4	110.8570	0.049	39	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	110.6850	0.107	8	110.8570	0.049	39	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	111.3815	0.032	2	111.0842	0.119	4	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.7870	0.044	2	111.0842	0.119	4	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mg<6>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Mg<6>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2700	0.010	3	111.2374	0.011	9	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1955	0.087	2	111.2374	0.011	9	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|Ru<9>,1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0975	0.015	2	111.2374	0.011	9	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3705	0.011	2	111.2374	0.011	9	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3807	0.049	11	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1585	0.022	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2800	0.092	2	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2137	0.117	23	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2596	0.119	29	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1170	0.194	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1711	0.168	7	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2224	0.190	18	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3417	0.040	6	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3743	0.099	16	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3865	0.118	8	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2455	0.069	8	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cu<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cu<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4706	0.088	7	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3974	0.137	19	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2932	0.102	71	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3042	0.079	10	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1442	0.355	8	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3324	0.081	39	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3130	0.098	3	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0817	0.188	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2553	0.111	67	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.3180	0.319	7	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|In<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|In<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3577	0.088	15	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3369	0.850	22	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3010	0.179	8	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mn<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mn<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1530	0.058	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3868	0.692	12	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3044	0.140	7	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<3>,3|C<3>}	H(C[5]C[5]N[5]H)	112.3217	1.511	8	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3358	0.147	11	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4767	0.075	6	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<7>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<7>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2985	0.115	13	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3159	0.136	25	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3109	0.136	14	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2053	0.063	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3540	0.134	8	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2573	0.057	6	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	112.2385	1.410	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3099	0.192	158	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3847	0.207	12	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3593	0.170	7	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3908	0.423	22	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4818	0.052	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1771	0.064	10	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2882	0.227	6	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3405	0.066	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1903	0.045	3	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8231	0.517	8	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3837	1.076	305	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4032	0.733	51	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<8>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<8>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2735	0.064	4	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2586	0.160	9	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1622	0.076	5	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1531	0.069	12	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2627	0.126	23	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2813	0.036	3	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3310	0.046	3	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	111.4202	0.081	21	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	111.2785	0.537	50	111.3314	0.378	1258	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ni<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0042	0.383	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6860	0.077	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Pt<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5987	0.745	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8605	0.710	11	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1843	0.630	8	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.8735	0.646	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	H(C[5]C[5]N[5]H)	109.9405	0.730	8	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,1|W<6>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,1|W<6>,3|C<3>}	H(C[5]C[5]N[5]H)	110.4377	0.051	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.1653	0.101	3	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,1|F<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,1|F<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4172	0.760	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7917	1.030	24	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<1>,4|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.5847	0.026	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7301	0.116	7	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pd<5>,4|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pd<5>,4|C<3>}	H(C[5]C[5]N[5]H)	110.2861	0.160	14	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,1|Pt<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.3053	0.545	8	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7510	0.029	3	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.1361	1.725	8	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5307	0.145	4	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|W<8>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|W<8>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7830	0.093	3	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3538	2.846	18	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Pt<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.4660	2.066	2	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	110.6611	0.289	8	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	110.5404	0.223	7	110.6714	1.441	164	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.2630	0.032	4	110.2148	0.002	10	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.1905	0.016	2	110.2148	0.002	10	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,3|C<3>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.1788	0.027	4	110.2148	0.002	10	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2{2|Se<2>,1|H<1>,2|N<3>}	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2{2|Se<2>,1|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	109.6064	0.373	8	109.6064	0.139	8	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2{1|P<2>,4|C<3>}	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2{1|P<2>,4|C<3>}	H(C[5]C[5]N[5]H)	110.4143	0.073	4	110.4143	0.005	4	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>}	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.4300	0.205	4	110.6136	0.057	8	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<4>,1|C<3>,1|C<4>}	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<4>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.7973	0.030	4	110.6136	0.057	8	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.7338	0.179	4	110.4471	0.110	34	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	H(C[5]C[5]N[5]H)	110.4089	0.330	30	110.4471	0.110	34	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	110.9720	0.083	4	110.9720	0.007	4	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2{2|N<3>,2|O<2>,3|C<3>}	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2{2|N<3>,2|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.0068	0.198	5	110.0068	0.039	5	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>}	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>}	H(C[5]C[5]N[5]H)	110.1600	0.854	2	110.1600	0.730	2	111.2121	0.568	1604	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	O[4,5]-3:C[5]-4:H-1:H-1:	O[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2	H(C[5]O[4,5]C[5]H)	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2{1|In<5>,1|O<3>,2|C<3>,3|O<2>}	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2{1|In<5>,1|O<3>,2|C<3>,3|O<2>}	H(C[5]O[4,5]C[5]H)	109.5467	0.253	6	109.5467	0.064	6	109.5467	0.064	6	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2{1|C<4>,2|O<3>,4|F<1>}	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2{1|C<4>,2|O<3>,4|F<1>}	H(C[5]C[5]O[5]H)	110.3506	0.228	7	110.3506	0.052	7	110.3506	0.052	7	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	P[5]-3:C[5]-4:H-1:H-1:	P[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	H(C[5]C[5]P[5]H)	109.2764	0.280	8	109.0236	0.212	12	109.0236	0.212	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	P[5]-3:C[5]-4:H-1:H-1:	P[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{4|C<3>}	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{4|C<3>}	H(C[5]C[5]P[5]H)	108.5180	0.287	4	109.0236	0.212	12	109.0236	0.212	12	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	S[5,5]-3:C[5]-4:H-1:H-1:	S[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5,5]In[4,3x5]C[5,6a])(C[5]S[5,5]HH)(H)2	C[5](S[5,5]In[4,3x5]C[5,6a])(C[5]S[5,5]HH)(H)2	H(C[5]S[5,5]C[5]H)	C[5](S[5,5]In[4,3x5]C[5,6a])(C[5]S[5,5]HH)(H)2{2|O<2>,2|O<3>,3|C<3>}	C[5](S[5,5]In[4,3x5]C[5,6a])(C[5]S[5,5]HH)(H)2{2|O<2>,2|O<3>,3|C<3>}	H(C[5]S[5,5]C[5]H)	108.2790	0.083	16	108.2790	0.007	16	108.2790	0.007	16	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	S[5]-3:C[5]-4:H-1:H-1:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2{2|Br<1>,1|C<4>,2|S<3>}	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2{2|Br<1>,1|C<4>,2|S<3>}	H(C[5]C[5]S[5]H)	108.4476	0.181	8	108.4227	0.022	15	108.7764	0.254	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	S[5]-3:C[5]-4:H-1:H-1:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2{2|Cl<1>,1|C<4>,2|S<3>}	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2{2|Cl<1>,1|C<4>,2|S<3>}	H(C[5]C[5]S[5]H)	108.3941	0.106	7	108.4227	0.022	15	108.7764	0.254	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	S[5]-3:C[5]-4:H-1:H-1:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2{1|C<4>,2|S<3>,4|F<1>}	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2{1|C<4>,2|S<3>,4|F<1>}	H(C[5]C[5]S[5]H)	109.3546	0.414	7	109.3071	0.120	10	108.7764	0.254	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:1:1:	4:	S[5]-3:C[5]-4:H-1:H-1:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2{4|Cl<1>,1|C<4>,2|S<3>}	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2{4|Cl<1>,1|C<4>,2|S<3>}	H(C[5]C[5]S[5]H)	109.1963	0.031	3	109.3071	0.120	10	108.7764	0.254	25	110.9764	0.694	3069	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	109.0615	3.232	2	109.0615	10.447	2	109.0615	10.447	2	109.4185	3.747	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	109.7755	0.532	2	109.7755	0.284	2	109.7755	0.284	2	109.4185	3.747	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	B[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.3025	0.023	2	110.3025	0.001	2	110.3025	0.001	2	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.4640	0.045	2	110.4640	0.002	2	110.4640	0.002	2	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8890	0.045	2	110.8890	0.002	2	110.8890	0.002	2	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0175	2.971	4	111.0175	8.830	4	111.0175	8.830	4	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4313	0.022	4	111.2010	0.128	6	111.2010	0.128	6	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7405	0.046	2	111.2010	0.128	6	111.2010	0.128	6	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6165	0.107	8	110.6165	0.011	8	110.6165	0.011	8	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H){3|C<3>}	H(C[5]C[5]2H)	111.1825	0.035	2	111.1825	0.001	2	111.1825	0.001	2	110.8555	1.144	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.9103	0.002	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9315	0.045	2	110.9315	0.002	2	110.9315	0.002	2	110.9103	0.002	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7523	0.136	4	110.7523	0.018	4	110.7523	0.018	4	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	112.6965	1.817	8	112.5280	3.143	9	111.7681	1.172	39	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1800	0.000	1	112.5280	3.143	9	111.7681	1.172	39	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.7193	0.716	13	111.5879	0.414	26	111.7681	1.172	39	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4792	0.579	12	111.5879	0.414	26	111.7681	1.172	39	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1850	0.000	1	111.5879	0.414	26	111.7681	1.172	39	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2290	0.785	4	111.2290	0.616	4	111.7681	1.172	39	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8805	0.030	2	110.8805	0.001	2	110.8805	0.001	2	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0517	0.032	4	111.0269	0.003	7	111.0269	0.003	7	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	H(C[5]C[5,6a]C[5]H)	110.9937	0.059	3	111.0269	0.003	7	111.0269	0.003	7	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H){1|H<1>,2|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1707	0.193	7	111.1707	0.037	7	111.1817	0.033	8	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2590	0.000	1	111.2590	0.000	1	111.1817	0.033	8	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9880	0.008	2	110.9880	0.000	2	111.0002	0.000	4	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H){1|S<4>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0125	0.012	2	111.0125	0.000	2	111.0002	0.000	4	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9112	0.138	4	110.9112	0.019	4	110.6983	0.569	21	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.5305	1.148	2	111.3962	0.464	4	110.6983	0.569	21	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Li<7>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|Li<7>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2620	0.042	2	111.3962	0.464	4	110.6983	0.569	21	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H){1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1990	0.000	1	111.1990	0.000	1	110.6983	0.569	21	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H){1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9490	0.409	6	110.9490	0.168	6	110.6983	0.569	21	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2{1|Si<4>,1|C<4>,1|N<3>}	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H){1|Si<4>,1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	110.0493	0.020	4	110.0493	0.000	4	110.6983	0.569	21	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2{1|C<4>,2|N<3>}	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H){1|C<4>,2|N<3>}	H(C[5]C[5]N[5]H)	109.1725	0.016	2	109.1725	0.000	2	110.6983	0.569	21	111.2827	0.892	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:3:	4:	C[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)(COO){3|C<3>}	H(C[5]C[5]2H)	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	110.8915	0.344	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9025	0.671	34	110.8995	0.356	43	110.8995	0.356	43	110.8915	0.344	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8483	0.062	4	110.8995	0.356	43	110.8995	0.356	43	110.8915	0.344	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9202	0.118	5	110.8995	0.356	43	110.8995	0.356	43	110.8915	0.344	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	3:4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.8915	0.344	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2{1|C<3>,1|S<2>}	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2{2|S<2>}	H(C[5]C[5,5]C[5]H)	110.3550	0.006	2	110.3550	0.000	2	110.3550	0.000	2	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2{1|C<3>,1|S<2>}	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2{2|S<2>}	H(C[5]C[5,5a]C[5]H)	111.2235	0.018	2	111.2235	0.000	2	111.2235	0.000	2	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.5385	0.032	2	111.4824	0.004	8	111.4824	0.004	8	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.5330	0.007	2	111.4824	0.004	8	111.4824	0.004	8	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.4260	0.016	2	111.4824	0.004	8	111.4824	0.004	8	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.4320	0.030	2	111.4824	0.004	8	111.4824	0.004	8	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1665	0.053	2	111.1665	0.003	2	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.8795	1.398	2	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4860	0.051	2	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3996	0.263	11	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3465	0.067	6	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3933	0.175	31	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.2862	0.038	4	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4025	0.016	2	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3618	0.053	4	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	112.0005	0.211	2	111.3874	0.079	64	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|C<3>,2|N<2>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	112.1360	1.659	2	111.7035	0.664	6	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.5075	0.032	2	111.7035	0.664	6	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4670	0.045	2	111.7035	0.664	6	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1155	0.016	2	111.1155	0.000	2	111.3997	0.125	74	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	100.3786	9.029	2	103.5284	70.525	3	107.1036	36.174	7	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	109.8280	0.000	1	103.5284	70.525	3	107.1036	36.174	7	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{1|C<3>,2|N<2>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	109.6160	2.961	2	109.7850	2.961	4	107.1036	36.174	7	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	109.9540	0.011	2	109.7850	2.961	4	107.1036	36.174	7	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{3|C<3>}	H(C[5]C[5]2H)	111.2670	0.013	2	111.2670	0.000	2	111.2670	0.000	2	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[5]N[5,5,6]C[5]H)	110.7345	0.054	16	110.7345	0.003	16	110.7345	0.003	16	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|S<2>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|S<2>}	H(C[5]N[5,5]C[5]H)	111.6900	1.339	2	111.6558	0.099	27	111.6558	0.099	27	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.4350	0.108	4	111.6558	0.099	27	111.6558	0.099	27	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,5]C[5]H)	111.6598	0.190	13	111.6558	0.099	27	111.6558	0.099	27	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|S<2>}	H(C[5]N[5,5]C[5]H)	111.7511	0.079	8	111.6558	0.099	27	111.6558	0.099	27	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]N[5,5]C[5]H)	112.5950	2.352	2	112.0340	5.653	4	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{2|O<1>,3|C<4>}	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|S<4>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.4730	3.189	2	112.0340	5.653	4	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.4880	0.004	2	111.3654	0.014	7	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.2630	0.006	2	111.3654	0.014	7	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<6>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<6>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.2805	0.006	2	111.3654	0.014	7	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.4950	0.000	1	111.3654	0.014	7	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2{2|C<3>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|Se<2>,1|C<3>}	H(C[5]N[5,5]C[5]H)	111.6938	0.319	6	111.6938	0.102	6	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,5]C[5]H)	110.9318	0.066	6	110.9318	0.004	6	111.4543	0.952	23	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	109.9680	0.022	4	109.9680	0.000	4	110.6918	1.768	6	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,5]C[5]H)	112.1395	1.597	2	112.1395	2.552	2	110.6918	1.768	6	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	110.8755	0.019	2	110.8755	0.000	2	110.4043	3.587	6	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	110.1688	2.399	4	110.1688	5.757	4	110.4043	3.587	6	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{3|N<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]N[5,6]C[5]H)	111.5865	0.022	2	111.5865	0.000	2	111.5472	0.012	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.4395	0.016	2	111.4154	0.001	5	111.5472	0.012	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,1|S<1>,1|S<2>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6]C[5]H)	111.3935	0.021	2	111.4154	0.001	5	111.5472	0.012	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.4110	0.000	1	111.4154	0.001	5	111.5472	0.012	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.6010	0.050	3	111.6010	0.002	3	111.5472	0.012	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.6520	0.045	4	111.6520	0.002	4	111.5472	0.012	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.9495	1.668	6	111.9495	2.783	6	111.5996	1.213	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>}	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.4600	0.011	2	111.4600	0.000	2	111.5996	1.213	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.5042	0.067	4	111.5042	0.005	4	111.5996	1.213	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2{1|N<3>,1|S<1>,2|C<3>}	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2{1|C<3>,1|N<3>,1|S<1>}	H(C[5]N[5,6]C[5]H)	110.8800	0.037	2	110.8800	0.001	2	111.5996	1.213	14	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,6]C[5]H)	110.2455	0.018	2	110.1154	0.215	7	110.2315	0.158	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	110.0634	0.557	5	110.1154	0.215	7	110.2315	0.158	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.4373	0.078	3	110.4614	0.005	8	110.2315	0.158	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|S<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.4927	0.089	3	110.4614	0.005	8	110.2315	0.158	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	110.4505	0.023	2	110.4614	0.005	8	110.2315	0.158	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,2|O<1>}	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|N<2>,1|S<4>}	H(C[5]N[5,6]C[5]H)	109.7180	0.407	2	109.7180	0.166	2	110.2315	0.158	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a])(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a])(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]H)	111.3950	0.042	2	111.3950	0.002	2	111.3950	0.002	2	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6a]C[5]H)	110.0725	0.039	6	110.1968	0.029	13	110.3130	0.069	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]H)	110.3034	0.167	7	110.1968	0.029	13	110.3130	0.069	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|N<2>}	H(C[5]N[5,6a]C[5]H)	110.6905	0.038	4	110.6905	0.001	4	110.3130	0.069	17	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	111.6665	0.006	2	111.5318	0.024	4	111.5318	0.024	4	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	111.3970	0.017	2	111.5318	0.024	4	111.5318	0.024	4	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4665	0.028	2	111.4665	0.001	2	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2{2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2310	0.010	2	111.2310	0.000	2	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.5293	0.805	6	112.1648	1.594	11	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2000	0.000	1	112.1648	1.594	11	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	113.3593	1.102	4	112.1648	1.594	11	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.7360	0.082	8	111.6804	0.012	12	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.5692	0.074	4	111.6804	0.012	12	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4030	0.048	2	111.4030	0.002	2	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.5110	0.151	6	111.5283	0.017	11	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|Re<6>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.6720	0.042	2	111.5283	0.017	11	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.4800	0.025	2	111.5283	0.017	11	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<4>,2|N<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.4410	0.000	1	111.5283	0.017	11	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2{1|S<1>,3|C<3>}	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|S<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8619	0.135	7	110.8619	0.018	7	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2{2|N<2>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|C<4>,2|N<2>}	H(C[5]C[5]N[5]H)	110.9985	0.224	16	110.9985	0.050	16	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2{2|N<2>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	111.0515	0.036	2	111.0515	0.001	2	111.4323	0.461	65	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{1|N<3>,2|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]H)	110.6190	0.010	2	110.4398	1.077	17	110.0552	1.130	31	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	110.4159	1.107	15	110.4398	1.077	17	110.0552	1.130	31	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2{2|N<2>}	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	109.5881	0.924	14	109.5881	0.854	14	110.0552	1.130	31	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	S[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](S[4,5]Ga[4,5]2)(C[5]S[5]HH)(H)2	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2	H(C[5]S[4,5]C[5]H)	C[5](S[4,5]Ga[4,5]2)(C[5]S[5]HH)(H)2{1|S<2>,1|S<3>,2|C<4>}	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2{1|Ga<4>,1|C<4>,1|S<3>}	H(C[5]S[4,5]C[5]H)	108.7100	0.006	2	108.7100	0.000	2	108.7100	0.000	2	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:1:1:	4:	S[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]S[5,6]C[5]H)	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<4>}	H(C[5]S[5,6]C[5]H)	109.8385	0.040	2	109.8385	0.002	2	109.8385	0.002	2	111.0307	1.713	341	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5315	0.136	8	111.5315	0.018	8	111.4000	0.027	18	111.2895	0.717	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2452	0.117	4	111.2957	0.015	6	111.4000	0.027	18	111.2895	0.717	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3965	0.074	2	111.2957	0.015	6	111.4000	0.027	18	111.2895	0.717	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3185	0.006	2	111.3185	0.000	2	111.4000	0.027	18	111.2895	0.717	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2685	0.009	2	111.2685	0.000	2	111.4000	0.027	18	111.2895	0.717	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	109.9720	0.059	2	109.9720	0.004	2	109.9720	0.004	2	111.2895	0.717	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H){1|C<3>}	H(C[5]C[5]2H)	111.6125	3.272	2	111.6125	10.705	2	111.6125	10.705	2	111.2895	0.717	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	H(C[5]C[5,6]C[5]H)	111.3310	0.036	4	111.3061	0.002	10	111.3171	0.002	13	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.2895	0.034	6	111.3061	0.002	10	111.3171	0.002	13	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.3840	0.004	2	111.3840	0.000	2	111.3171	0.002	13	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H){1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.2930	0.000	1	111.2930	0.000	1	111.3171	0.002	13	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.4675	2.300	2	111.0210	0.876	8	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1765	0.030	2	111.0210	0.876	8	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2200	0.087	4	111.0210	0.876	8	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1367	0.077	3	111.1367	0.006	3	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4075	0.005	2	111.4075	0.000	2	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0640	0.017	2	111.3022	0.057	12	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4477	0.126	8	111.3022	0.057	12	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9580	0.004	2	111.3022	0.057	12	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2945	0.033	2	111.2945	0.001	2	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3250	0.024	2	111.3250	0.001	2	111.2158	0.261	29	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9100	0.066	2	110.9100	0.004	2	110.9100	0.004	2	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2{2|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|O<1>,2|N<3>}	H(C[5]C[5]2H)	110.9545	0.037	2	110.9545	0.001	2	111.4360	0.255	17	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2{1|C<3>,1|S<2>}	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H){1|C<3>}	H(C[5]C[5]2H)	111.6280	1.826	2	111.6280	3.333	2	111.4360	0.255	17	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	H(C[5]C[5]2H)	111.4298	0.131	6	111.4298	0.017	6	111.4360	0.255	17	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H){1|C<3>}	H(C[5]C[5]2H)	111.4520	0.006	2	111.4520	0.000	2	111.4360	0.255	17	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	H(C[5]C[5]2H)	111.6785	0.029	2	111.6785	0.001	2	111.4360	0.255	17	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H){1|C<3>}	H(C[5]C[5]2H)	111.4520	0.000	1	111.4520	0.000	1	111.4360	0.255	17	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	H(C[5]C[5]2H)	111.4775	0.009	2	111.4775	0.000	2	111.4360	0.255	17	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H){1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.6205	0.018	2	111.6205	0.000	2	111.6205	0.000	2	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.2267	0.079	4	111.2267	0.006	4	111.2267	0.006	4	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H){3|C<3>}	H(C[5]C[5]N[5]H)	111.3220	0.004	2	111.3220	0.000	2	110.9394	1.019	37	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	H(C[5]C[5]N[5]H)	111.4398	0.040	4	111.4398	0.002	4	110.9394	1.019	37	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{4|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H){3|C<3>}	H(C[5]C[5]N[5]H)	111.0045	0.030	2	111.0045	0.001	2	110.9394	1.019	37	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4954	0.357	17	111.4954	0.127	17	110.9394	1.019	37	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	109.5992	1.031	10	109.5992	1.063	10	110.9394	1.019	37	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4660	0.010	2	111.4660	0.000	2	110.9394	1.019	37	111.1684	0.507	104	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5200	0.028	2	111.5200	0.001	2	111.5200	0.001	2	111.5448	0.001	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:2:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:S-2:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CS)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC){1|C<3>}	H(C[5]C[5]2H)	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	111.5448	0.001	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:2:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:P-4:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC){1|C<3>}	H(C[5]C[5]2H)	111.5770	0.030	2	111.5770	0.001	2	111.5770	0.001	2	111.5448	0.001	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9733	0.085	7	110.9733	0.007	7	110.9733	0.007	7	111.1018	0.029	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1483	0.102	30	111.1483	0.010	30	111.1483	0.010	30	111.1018	0.029	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.6005	0.028	2	110.6005	0.001	2	110.9778	0.190	4	111.1018	0.029	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:2:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]O[5]CC)(H)2{1|C<3>,1|S<2>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	H(C[5]C[5]2H)	111.3550	0.006	2	111.3550	0.000	2	110.9778	0.190	4	111.1018	0.029	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>}	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H){1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]Br)	112.4140	0.000	1	112.4140	0.000	1	112.4140	0.000	1	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.9180	0.026	4	110.9180	0.001	4	110.9180	0.001	4	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5]C[5]H)	111.0685	0.015	2	111.3939	0.056	7	111.3939	0.056	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.5240	0.097	5	111.3939	0.056	7	111.3939	0.056	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.2795	0.012	2	111.2795	0.000	2	111.5116	0.126	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,5a]C[5]H)	111.5883	0.032	3	111.5883	0.001	3	111.5116	0.126	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.6285	0.777	2	111.6285	0.604	2	111.5116	0.126	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.0410	0.011	2	111.0410	0.000	2	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.8720	0.014	2	110.8720	0.000	2	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.8588	0.057	6	110.8588	0.003	6	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.2148	0.039	6	111.1916	0.003	8	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1220	0.023	2	111.1916	0.003	8	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.1700	0.180	5	111.2027	0.025	7	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.2845	0.025	2	111.2027	0.025	7	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.8090	0.018	2	110.7938	0.006	6	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.7862	0.099	4	110.7938	0.006	6	111.0224	0.040	31	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.0620	0.016	2	111.1856	0.344	12	111.2624	0.271	16	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0328	0.139	4	111.1856	0.344	12	111.2624	0.271	16	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.3287	0.834	6	111.1856	0.344	12	111.2624	0.271	16	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.5020	0.010	2	111.4928	0.001	4	111.2624	0.271	16	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.4835	0.036	2	111.4928	0.001	4	111.2624	0.271	16	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H){2|C<3>}	H(C[5]C[5,6a]C[5]Br)	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:Br-1:Br-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8460	0.007	2	110.8460	0.000	2	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8690	0.094	8	110.8690	0.009	8	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7907	0.150	6	110.7679	0.014	10	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.7338	0.033	4	110.7679	0.014	10	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8110	0.026	8	110.8264	0.228	10	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8880	1.427	2	110.8264	0.228	10	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9320	0.049	2	111.2607	1.069	43	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3739	1.159	33	111.2607	1.069	43	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9230	0.030	2	111.2607	1.069	43	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9875	0.006	2	111.2607	1.069	43	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7965	0.038	4	111.2607	1.069	43	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|S<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8267	0.013	3	110.8267	0.000	3	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.8970	0.016	2	110.8970	0.000	2	111.0650	0.660	78	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1883	0.201	20	111.0883	0.093	115	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.9370	0.085	2	111.0883	0.093	115	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.0455	0.349	56	111.0883	0.093	115	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0269	0.123	33	111.0883	0.093	115	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2680	0.463	4	111.0883	0.093	115	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8108	0.143	6	111.2835	2.161	12	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.7562	2.049	6	111.2835	2.161	12	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.7690	2.875	4	111.7690	8.266	4	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3350	0.000	1	111.2101	0.055	21	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0978	0.253	12	111.2101	0.055	21	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3630	0.072	8	111.2101	0.055	21	111.1384	0.414	152	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8590	0.000	1	110.8590	0.000	1	110.8218	0.001	5	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{4|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	110.7860	0.004	2	110.7860	0.000	2	110.8218	0.001	5	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.8390	0.004	2	110.8390	0.000	2	110.8218	0.001	5	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	111.2100	0.011	2	111.2100	0.000	2	111.2100	0.000	2	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.4809	0.391	9	110.4809	0.153	9	110.8085	0.190	53	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]N[5,5]C[5]H)	110.2995	0.018	2	110.8756	0.175	44	110.8085	0.190	53	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]N[5,5]C[5]H)	110.8337	0.415	25	110.8756	0.175	44	110.8085	0.190	53	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]H)	111.1740	0.369	10	110.8756	0.175	44	110.8085	0.190	53	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]N[5,5]C[5]H)	110.5405	0.044	4	110.8756	0.175	44	110.8085	0.190	53	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]H)	111.0565	0.049	2	110.8756	0.175	44	110.8085	0.190	53	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]N[5,5]C[5]H)	111.0680	0.000	1	110.8756	0.175	44	110.8085	0.190	53	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	112.6850	0.932	3	112.6850	0.869	3	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,5]C[5]H)	112.1525	0.076	4	112.1525	0.006	4	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.4850	0.030	2	111.8137	0.465	20	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]H)	113.6440	0.915	2	111.8137	0.465	20	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]H)	111.7215	0.099	4	111.8137	0.465	20	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.2070	0.061	2	111.8137	0.465	20	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|S<1>,1|S<2>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.7720	0.045	4	111.8137	0.465	20	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.6045	0.047	6	111.8137	0.465	20	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.5122	0.110	8	111.4909	0.016	12	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]H)	111.5870	0.008	2	111.4909	0.016	12	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{2|C<3>}	H(C[5]N[5,5]C[5]H)	111.3095	0.028	2	111.4909	0.016	12	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,5]C[5]H)	111.3363	0.197	7	111.4584	0.069	11	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2{1|C<4>,1|N<4>}	H(C[5]N[5,5]C[5]H)	111.6720	0.237	4	111.4584	0.069	11	111.7374	0.338	50	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.2273	0.064	3	111.2237	0.003	4	111.3043	0.019	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.2130	0.000	1	111.2237	0.003	4	111.3043	0.019	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.5840	0.000	1	111.4117	0.023	3	111.3043	0.019	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.3255	0.028	2	111.4117	0.023	3	111.3043	0.019	7	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.5830	0.054	3	111.5830	0.003	3	111.3342	0.267	6	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2{2|N<2>}	H(C[5]N[5,5a]C[5]H)	111.8580	0.000	1	111.8580	0.000	1	111.3342	0.267	6	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{3|N<2>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2{2|N<2>}	H(C[5]N[5,5a]C[5]H)	110.6990	0.246	2	110.6990	0.061	2	111.3342	0.267	6	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.0438	0.050	4	111.0438	0.003	4	111.0567	1.935	10	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.0653	1.866	6	111.0653	3.481	6	111.0567	1.935	10	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.2640	0.008	2	111.2117	0.004	4	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.1595	0.030	2	111.2117	0.004	4	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	111.1370	0.037	2	111.3051	0.019	12	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.2283	0.033	4	111.3051	0.019	12	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.3575	0.025	2	111.3051	0.019	12	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.5395	0.025	2	111.3051	0.019	12	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,6]C[5]H)	111.3400	0.018	2	111.3051	0.019	12	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.1590	0.036	4	111.1590	0.001	4	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,6]C[5]H)	111.5090	0.643	2	111.7019	0.292	15	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.4055	0.013	4	111.7019	0.292	15	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.4260	0.043	4	111.7019	0.292	15	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6]C[5]H)	112.5055	0.150	4	111.7019	0.292	15	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.1620	0.000	1	111.7019	0.292	15	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]Fe)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]Fe)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.4638	0.091	4	111.4638	0.008	4	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.1602	0.024	6	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.1620	0.004	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	115.2430	2.301	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.4700	0.013	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	112.8645	2.454	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.2160	0.070	4	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.0865	0.018	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.3860	0.004	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.2752	0.295	4	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.2955	2.034	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|S<1>,1|S<2>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6]C[5]H)	110.0040	1.895	4	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]H)	111.2093	0.098	7	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.2375	0.013	2	111.3390	1.791	41	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]N[5,6]C[5]H)	110.4585	0.016	2	110.4585	0.000	2	111.3700	0.984	82	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6a]C[5]H)	110.8660	0.130	4	110.8660	0.017	4	110.8660	0.017	4	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]H)	111.1505	0.013	2	111.1505	0.000	2	111.6080	0.399	8	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]Cu)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Cu<5>,1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]Cu)(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]H)	111.5100	0.078	2	111.5100	0.006	2	111.6080	0.399	8	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]H)	112.4960	0.740	2	111.8858	0.679	4	111.6080	0.399	8	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]H)	111.2755	0.039	2	111.8858	0.679	4	111.6080	0.399	8	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.4925	0.021	2	110.9800	0.162	6	111.7034	1.886	22	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	H(C[5]C[5]N[5]H)	111.0675	0.035	2	110.9800	0.162	6	111.7034	1.886	22	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.3800	0.008	2	110.9800	0.162	6	111.7034	1.886	22	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0875	1.628	2	111.0875	2.652	2	111.7034	1.886	22	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	112.3233	1.534	12	112.3233	2.353	12	111.7034	1.886	22	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.7695	0.023	2	110.7695	0.001	2	111.7034	1.886	22	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	112.5340	1.155	2	112.5340	1.335	2	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<4>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3490	0.033	2	111.3490	0.001	2	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1525	0.067	4	111.1525	0.005	4	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|B<4>,1|C<3>}	H(C[5]C[5]N[5]H)	111.1235	0.045	2	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2027	0.098	6	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	111.3640	0.024	2	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]H)	110.9090	0.030	2	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	111.3190	0.129	6	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|U<8>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|U<8>}	H(C[5]C[5]N[5]H)	111.3137	0.031	4	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	111.2985	0.637	10	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ga<4>,1|C<3>}	H(C[5]C[5]N[5]H)	111.5213	0.040	6	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.5110	0.013	2	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	111.1833	0.073	8	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	H(C[5]C[5]N[5]H)	111.2883	0.129	12	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.2695	0.047	2	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]N[5]H)	111.1500	0.025	2	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	111.4390	0.133	3	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.4933	0.106	4	111.3010	0.075	71	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	111.0135	0.012	2	111.0875	0.011	17	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]N[5]H)	111.0792	0.103	13	111.0875	0.011	17	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.2155	0.023	2	111.0875	0.011	17	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.3223	0.032	3	111.3552	0.005	4	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	111.4540	0.000	1	111.3552	0.005	4	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3504	0.094	7	111.3504	0.009	7	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.3015	0.045	2	110.3015	0.002	2	111.2726	0.118	109	111.2269	0.527	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.0722	0.138	4	110.0722	0.019	4	110.0722	0.019	4	110.5110	0.411	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3190	0.014	2	111.3190	0.000	2	110.9497	0.427	4	110.5110	0.411	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2{5|C<3>}	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.5805	0.858	2	110.5805	0.736	2	110.9497	0.427	4	110.5110	0.411	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:S-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0307	0.079	4	111.0307	0.006	4	110.9840	0.009	6	110.9840	0.009	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:S-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8905	0.005	2	110.8905	0.000	2	110.9840	0.009	6	110.9840	0.009	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8580	0.000	1	110.8580	0.000	1	110.8580	0.000	1	110.7283	0.013	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6635	0.042	2	110.6635	0.002	2	110.6635	0.002	2	110.7283	0.013	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4095	0.013	2	111.4095	0.000	2	111.2570	0.031	4	111.2570	0.031	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:2:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2{5|C<3>}	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1045	0.006	2	111.1045	0.000	2	111.2570	0.031	4	111.2570	0.031	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9975	0.016	2	110.9975	0.000	2	110.9975	0.000	2	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8690	0.006	2	110.8690	0.000	2	110.8690	0.000	2	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9185	0.008	2	110.9185	0.000	2	110.8957	0.001	6	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8843	0.027	4	110.8843	0.001	4	110.8957	0.001	6	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H){1|N<2>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8435	0.005	2	110.8435	0.000	2	110.8435	0.000	2	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9475	0.042	2	110.9395	0.032	8	111.0993	0.138	10	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1955	0.022	2	110.9395	0.032	8	111.0993	0.138	10	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8075	0.080	4	110.9395	0.032	8	111.0993	0.138	10	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.7385	0.006	2	111.7385	0.000	2	111.0993	0.138	10	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H){1|C<3>}	H(C[5]C[5]2H)	111.3420	0.034	2	111.3420	0.001	2	111.3727	0.003	3	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]O)(H){1|C<3>}	H(C[5]C[5]2H)	111.4340	0.000	1	111.4340	0.000	1	111.3727	0.003	3	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.5090	0.066	2	111.5090	0.004	2	111.5090	0.004	2	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.2835	0.011	2	111.2835	0.000	2	111.2835	0.000	2	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	111.1430	0.054	2	111.1430	0.003	2	111.1430	0.003	2	111.0895	0.080	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:2:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.2980	0.025	2	111.2980	0.001	2	111.2980	0.001	2	111.0033	0.085	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:2:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC){1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.0752	0.449	8	111.0752	0.202	8	111.0752	0.202	8	111.0033	0.085	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8435	0.016	2	110.8435	0.000	2	110.8435	0.000	2	111.0033	0.085	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9155	0.025	2	110.9155	0.001	2	110.9083	0.000	4	111.0033	0.085	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9010	0.006	2	110.9010	0.000	2	110.9083	0.000	4	111.0033	0.085	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:S-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8787	0.026	4	110.8787	0.001	4	110.8787	0.001	4	111.0033	0.085	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:2:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{4|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN){2|C<3>}	H(C[5]C[5]2H)	111.0195	0.013	2	111.0195	0.000	2	111.0195	0.000	2	111.0033	0.085	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(COO)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.9510	1.450	4	110.9510	2.103	4	110.9510	2.103	4	110.4863	1.804	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2420	0.000	1	111.2420	0.000	1	110.1684	2.283	7	110.4863	1.804	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	109.9895	1.572	6	109.9895	2.471	6	110.1684	2.283	7	110.4863	1.804	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6695	0.021	2	110.6695	0.000	2	110.6695	0.000	2	110.4863	1.804	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H){1|C<3>,1|N<3>}	H(C[5]C[5,5a]C[5]H)	111.1545	0.045	4	111.1545	0.002	4	111.1545	0.002	4	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.9455	0.013	2	110.9455	0.000	2	110.9455	0.000	2	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9603	0.109	4	110.9603	0.012	4	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8433	0.028	7	110.8433	0.001	7	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8830	0.018	2	110.8830	0.000	2	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6597	0.070	3	110.6597	0.005	3	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7646	0.098	9	110.7646	0.010	9	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7445	0.037	2	110.7445	0.001	2	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0655	0.011	2	111.0655	0.000	2	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	110.9415	0.012	2	110.9415	0.000	2	110.8346	0.016	31	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8655	0.011	2	110.8655	0.000	2	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8687	0.049	19	110.8687	0.002	19	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2622	0.051	4	111.1171	0.043	8	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9720	0.206	4	111.1171	0.043	8	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.2145	2.641	4	110.2145	6.976	4	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0946	0.136	10	111.0946	0.019	10	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3614	1.961	8	111.3614	3.845	8	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2296	0.097	5	111.2296	0.009	5	111.0003	0.959	56	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0165	0.069	2	111.0332	0.002	4	111.0332	0.002	4	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0500	0.025	2	111.0332	0.002	4	111.0332	0.002	4	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H){1|C<3>}	H(C[5]C[5]2H)	110.9935	0.005	2	110.9935	0.000	2	111.1658	0.041	4	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H){1|C<3>}	H(C[5]C[5]2H)	111.2960	0.000	1	111.2960	0.000	1	111.1658	0.041	4	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H){1|C<3>}	H(C[5]C[5]2H)	111.3800	0.000	1	111.3800	0.000	1	111.1658	0.041	4	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[5]N[5,5]C[5]H)	110.7780	0.087	4	110.7780	0.008	4	110.7780	0.008	4	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H){1|C<4>,1|N<3>}	H(C[5]N[5,5]C[5]H)	111.3796	0.245	8	111.3796	0.060	8	111.3796	0.060	8	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2{1|N<2>,1|S<4>,2|C<3>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H){1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.2210	0.044	2	111.2210	0.002	2	111.2210	0.002	2	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H){2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9335	0.063	2	110.9335	0.004	2	110.9335	0.004	2	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H){1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	111.1830	0.004	2	111.1830	0.000	2	111.1830	0.000	2	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0420	0.058	4	111.0420	0.003	4	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0220	0.140	4	111.0220	0.020	4	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	111.3685	0.015	2	111.3685	0.000	2	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Co<5>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.2176	0.161	5	111.2176	0.026	5	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H){2|C<3>}	H(C[5]C[5]N[5]H)	110.9050	0.004	2	110.9050	0.000	2	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){3|C<3>}	H(C[5]C[5]N[5]H)	110.9920	0.027	2	110.9920	0.001	2	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Ni<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.0469	0.206	7	111.0469	0.043	7	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Ni<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.1577	0.157	3	111.1577	0.024	3	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC3)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.2975	0.005	2	111.2975	0.000	2	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.0608	0.098	10	111.0608	0.010	10	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.2100	0.076	6	111.2100	0.006	6	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<4>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	112.8320	3.013	4	112.1618	6.524	6	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8215	0.023	2	112.1618	6.524	6	111.2285	0.762	53	111.0647	0.574	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7125	0.035	2	110.7125	0.001	2	110.7125	0.001	2	110.8623	0.061	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6430	0.000	1	110.6430	0.000	1	110.8050	0.020	3	110.8623	0.061	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8860	0.021	2	110.8860	0.000	2	110.8050	0.020	3	110.8623	0.061	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8085	0.103	4	110.8085	0.011	4	110.8085	0.011	4	110.8623	0.061	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:Se-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a]){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8327	0.069	6	110.8327	0.005	6	110.8327	0.005	6	110.8623	0.061	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH){1|C<3>}	H(C[5]C[5]2H)	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	110.8623	0.061	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7015	0.025	2	110.7015	0.001	2	110.7302	0.041	11	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8433	0.104	4	110.8433	0.011	4	110.7302	0.041	11	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.3755	0.052	2	110.3755	0.003	2	110.7302	0.041	11	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6730	0.000	1	110.6730	0.000	1	110.7302	0.041	11	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9160	0.014	2	110.9160	0.000	2	110.7302	0.041	11	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6990	0.041	2	110.6786	0.001	5	110.6786	0.001	5	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6650	0.036	3	110.6786	0.001	5	110.6786	0.001	5	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3615	0.063	2	111.3615	0.004	2	111.3615	0.004	2	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(COO){1|C<3>}	H(C[5]C[5]2H)	111.2510	0.025	2	111.2510	0.001	2	111.0985	0.032	4	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)(CCC)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)(CCC){1|C<3>}	H(C[5]C[5]2H)	110.9460	0.031	2	110.9460	0.001	2	111.0985	0.032	4	110.8428	0.076	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.4210	0.210	4	110.4210	0.044	4	110.7681	0.158	8	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	H(C[5]C[5,6]C[5]H)	111.1153	0.049	4	111.1153	0.002	4	110.7681	0.158	8	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0800	0.011	2	111.0800	0.000	2	111.2346	1.968	13	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3969	1.683	9	111.3969	2.832	9	111.2346	1.968	13	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|S<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6590	0.096	2	110.6590	0.009	2	111.2346	1.968	13	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8273	0.043	4	110.8273	0.002	4	110.8273	0.002	4	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<10>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2455	0.137	15	111.1015	0.022	56	111.0850	0.023	72	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<8>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0488	0.117	41	111.1015	0.022	56	111.0850	0.023	72	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<5>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0920	0.141	4	111.0149	0.031	8	111.0850	0.023	72	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<6>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9377	0.190	4	111.0149	0.031	8	111.0850	0.023	72	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Sr<8>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0401	0.141	8	111.0401	0.020	8	111.0850	0.023	72	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	H(C[5]C[5]2H)	110.8335	0.257	6	110.8335	0.066	6	110.8335	0.066	6	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3){1|C<3>}	H(C[5]C[5]2H)	111.1208	0.164	4	111.1208	0.027	4	111.1208	0.027	4	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:3:4:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.0829	0.068	9	111.0829	0.005	9	111.0829	0.005	9	111.0591	0.248	116	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	B[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|I<1>,2|C<4>,3|C<3>}	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2{1|I<1>,2|C<3>}	H(C[5]B[5]C[5]H)	109.8915	0.057	2	109.8915	0.003	2	109.8915	0.003	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.4640	0.000	1	111.4640	0.000	1	111.4640	0.000	1	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	C[5](C[5]C[5,5]BrH)2(Br)(H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]BrH)2(Br)(H){2|C<4>}	H(C[5]C[5,5]C[5]Br)	111.6070	0.215	2	111.6070	0.046	2	111.6070	0.046	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]F)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5]C[5]F)	111.5135	0.081	2	111.5135	0.007	2	111.6923	0.099	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]F)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5]C[5]F)	112.0500	0.000	1	112.0500	0.000	1	111.6923	0.099	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	111.4073	0.342	3	111.4073	0.117	3	111.4073	0.117	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8045	0.580	4	110.8045	0.337	4	111.3328	0.504	8	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	112.0925	0.013	2	112.0000	0.026	3	111.3328	0.504	8	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.8150	0.000	1	112.0000	0.026	3	111.3328	0.504	8	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.4440	0.000	1	111.4440	0.000	1	111.3328	0.504	8	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0570	0.016	2	111.0570	0.000	2	111.2272	0.019	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3355	0.016	2	111.3355	0.000	2	111.2272	0.019	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	111.2890	0.081	2	111.2890	0.006	2	111.2272	0.019	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.3307	0.100	4	111.3307	0.010	4	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2{1|N<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3450	0.000	1	111.3450	0.000	1	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	112.6520	2.618	2	112.6520	6.852	2	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.2662	0.036	4	111.2729	0.003	8	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.2795	0.070	4	111.2729	0.003	8	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7210	0.014	2	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	111.1143	0.142	42	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.2100	0.000	1	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	112.5440	3.287	6	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1065	0.178	13	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.2673	0.034	6	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.5530	0.013	2	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0998	0.262	8	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9633	0.324	15	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.1010	0.035	4	111.1865	0.716	99	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.5640	0.056	6	111.5574	0.002	8	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>}	H(C[5]C[5,5]C[5]H)	111.5375	0.008	2	111.5574	0.002	8	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>}	H(C[5]C[5,5]C[5]H)	111.4670	0.016	2	111.4233	0.386	107	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|S<2>}	H(C[5]C[5,5]C[5]H)	111.4224	0.627	105	111.4233	0.386	107	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]H)	111.3226	0.234	8	111.3226	0.055	8	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5]C[5]H)	111.4267	0.169	7	111.4267	0.029	7	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5]C[5]H)	111.3756	0.276	13	111.3756	0.076	13	111.3339	0.494	257	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|N<3>}	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5a]C[5]H)	111.3195	1.685	2	111.3195	2.839	2	111.3195	2.839	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5a]C[5]H)	111.0460	0.054	2	111.0460	0.003	2	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.4970	0.044	4	111.2173	1.228	10	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	H(C[5]C[5,5a]C[5]H)	111.0308	1.451	6	111.2173	1.228	10	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5a]C[5]H)	111.4465	0.026	2	111.4465	0.001	2	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5,5a]C[5]H)	111.4980	0.011	2	111.4980	0.000	2	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	H(C[5]C[5,5a]C[5]H)	111.3768	0.583	10	111.3768	0.340	10	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.4935	0.023	2	111.4935	0.001	2	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	H(C[5]C[5,5a]C[5]H)	111.1223	0.035	4	111.1223	0.001	4	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.1595	0.119	4	111.2795	0.031	51	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5a]C[5]H)	111.1260	0.030	2	111.2795	0.031	51	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	110.9940	0.011	2	111.2795	0.031	51	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5a]C[5]H)	111.3726	0.130	31	111.2795	0.031	51	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.1518	0.155	12	111.2795	0.031	51	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	H(C[5]C[5,5a]C[5]H)	111.0733	0.062	3	111.0733	0.004	3	111.2776	0.193	86	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2{2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0875	0.029	2	111.0875	0.001	2	111.2738	0.022	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3670	0.039	4	111.3670	0.002	4	111.2738	0.022	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8625	0.008	2	111.0220	0.034	4	111.0220	0.034	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1815	0.023	2	111.0220	0.034	4	111.0220	0.034	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1505	0.738	2	111.1505	0.544	2	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.9140	0.016	2	110.9140	0.000	2	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7710	0.066	4	110.7710	0.004	4	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	112.5950	0.395	4	111.1674	0.700	17	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7543	0.034	3	111.1674	0.700	17	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6851	0.045	8	111.1674	0.700	17	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8605	0.046	2	111.1674	0.700	17	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0683	0.076	4	111.0742	0.004	6	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0860	0.051	2	111.0742	0.004	6	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.2080	0.010	2	111.2080	0.000	2	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.0723	0.134	3	111.0723	0.018	3	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.2085	0.182	4	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.8025	0.046	2	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.1525	0.036	2	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0266	0.030	8	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	106.7390	0.750	2	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0675	0.023	8	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5,6]C[5]H)	112.3300	3.072	2	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.7010	0.068	2	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1335	0.085	6	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0523	0.112	20	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0413	0.189	3	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9899	0.080	7	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.3190	0.044	2	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.8575	0.107	2	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.4062	0.102	4	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|B<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1680	0.000	1	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.7174	0.091	5	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9163	0.106	3	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7888	0.184	9	110.9078	0.584	92	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1715	4.076	2	111.1715	16.618	2	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.3470	0.000	1	111.1394	0.021	7	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Co<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1103	0.152	4	111.1394	0.021	7	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0940	0.074	2	111.1394	0.021	7	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.7170	0.027	2	110.7170	0.001	2	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5,6]C[5]H)	110.6820	0.000	1	110.6820	0.000	1	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5,6]C[5]H)	111.0335	0.029	2	111.0335	0.001	2	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	112.3850	0.997	2	111.4195	0.458	11	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.8575	0.013	2	111.4195	0.458	11	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0907	0.159	3	111.4195	0.458	11	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6]C[5]H)	110.7870	0.061	2	111.4195	0.458	11	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1415	0.021	2	111.4195	0.458	11	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|N<3>}	H(C[5]C[5,6]C[5]H)	114.0080	0.223	2	114.0080	0.050	2	111.0373	0.703	155	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8315	0.057	2	110.8710	0.003	4	110.8710	0.003	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.9105	0.006	2	110.8710	0.003	4	110.8710	0.003	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.5380	0.007	2	110.5380	0.000	2	110.4825	0.012	10	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.4686	0.121	8	110.4686	0.015	8	110.4825	0.012	10	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8860	0.024	2	110.8860	0.001	2	110.9153	0.001	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9445	0.005	2	110.9445	0.000	2	110.9153	0.001	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]Br)	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5,6a]BrH)2(H)2	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]BrH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]Br)	110.5130	0.486	6	110.5130	0.236	6	110.5130	0.236	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2{6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1320	0.000	1	111.1320	0.000	1	110.8080	0.079	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6460	0.006	2	110.6460	0.000	2	110.8080	0.079	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.6253	0.129	3	111.6253	0.017	3	111.6253	0.017	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4933	0.136	4	111.4933	0.019	4	111.4933	0.019	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0620	0.024	2	111.2326	0.012	29	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2452	0.104	27	111.2326	0.012	29	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.6183	0.887	4	111.6183	0.788	4	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0165	0.040	2	111.1927	0.007	26	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2579	0.040	11	111.1927	0.007	26	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2330	0.000	1	111.1927	0.007	26	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1290	0.023	2	111.1927	0.007	26	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1649	0.067	10	111.1927	0.007	26	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8768	0.074	4	110.8768	0.006	4	111.2180	0.065	63	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.5240	0.016	2	110.5240	0.000	2	110.9206	0.073	9	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1470	0.000	1	111.1470	0.000	1	110.9206	0.073	9	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1850	0.007	2	111.1850	0.000	2	110.9206	0.073	9	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2{5|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0690	0.010	2	111.0690	0.000	2	110.9206	0.073	9	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7910	0.040	2	110.7910	0.002	2	110.9206	0.073	9	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{2|Br<1>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5485	0.035	2	111.5485	0.001	2	111.5377	3.965	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5590	4.452	2	111.5590	19.820	2	111.5377	3.965	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5055	0.008	2	111.5055	0.000	2	111.5377	3.965	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7970	0.054	2	110.7970	0.003	2	111.1748	0.191	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5525	0.005	2	111.5525	0.000	2	111.1748	0.191	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8705	0.229	4	110.8705	0.052	4	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8595	0.029	2	111.1150	0.055	5	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3080	0.000	1	111.1150	0.055	5	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2740	0.031	2	111.1150	0.055	5	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9912	0.054	6	111.0041	0.003	8	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0430	0.008	2	111.0041	0.003	8	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2198	0.439	6	111.2198	0.193	6	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0683	0.183	6	111.0354	0.041	9	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2700	0.000	1	111.0354	0.041	9	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8195	0.064	2	111.0354	0.041	9	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9130	0.038	2	110.9130	0.001	2	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1038	0.088	6	111.1038	0.008	6	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3160	0.023	2	111.2643	0.002	6	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2385	0.030	4	111.2643	0.002	6	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1285	0.030	2	111.1285	0.001	2	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2106	0.049	9	111.2106	0.002	9	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9450	0.025	2	111.4394	1.038	14	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.6590	1.145	10	111.4394	1.038	14	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8355	0.037	2	111.4394	1.038	14	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.2969	0.669	28	111.3381	1.117	43	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	113.6710	4.773	2	111.3381	1.117	43	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.9755	0.006	2	111.3381	1.117	43	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1390	0.050	4	111.3381	1.117	43	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0537	0.133	7	111.3381	1.117	43	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.8140	0.000	1	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8095	0.016	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.8035	0.046	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1425	0.011	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	111.0880	0.030	4	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.2155	0.016	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	112.4260	4.432	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|O<2>}	H(C[5]C[5,6a]C[5]H)	111.1435	0.013	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	111.0198	0.073	12	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	110.8455	0.025	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.1940	0.014	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	112.6972	1.815	4	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	110.9705	0.015	2	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9970	0.172	6	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.3152	0.097	4	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0810	0.137	29	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1945	0.692	17	111.1810	0.555	95	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1223	0.049	3	111.1223	0.002	3	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1240	0.057	2	111.1240	0.003	2	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0347	0.039	3	111.0347	0.002	3	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2185	0.030	2	111.2185	0.001	2	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	111.6810	0.031	2	111.6810	0.001	2	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.1750	0.080	4	111.1750	0.006	4	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	111.1502	0.047	4	111.1016	0.011	14	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.0821	0.116	10	111.1016	0.011	14	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|O<2>}	H(C[5]C[5,6a]C[5]H)	111.2765	0.029	2	111.2765	0.001	2	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8950	0.590	8	110.8950	0.348	8	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	113.1453	3.256	8	112.3722	8.058	12	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9650	0.013	2	112.3722	8.058	12	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6870	0.007	2	112.3722	8.058	12	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.7825	0.030	2	110.7825	0.001	2	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	111.3723	0.081	13	111.3723	0.007	13	111.2501	0.824	276	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2250	0.082	2	111.2250	0.007	2	111.2250	0.007	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2825	0.019	2	111.2825	0.000	2	111.2825	0.000	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	110.0855	0.030	2	110.0855	0.001	2	110.0855	0.001	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3680	0.044	3	111.3680	0.002	3	111.1190	0.063	7	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8305	0.077	2	110.8305	0.006	2	111.1190	0.063	7	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Re<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0340	0.057	2	111.0340	0.003	2	111.1190	0.063	7	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	109.8065	0.340	6	109.8065	0.116	6	109.8729	0.127	7	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|S<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.2710	0.000	1	110.2710	0.000	1	109.8729	0.127	7	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	109.5705	0.038	4	109.5705	0.001	4	109.5705	0.001	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	111.6820	0.176	3	111.6820	0.031	3	111.6820	0.031	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.3880	0.007	2	110.3880	0.000	2	110.3880	0.000	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.7725	0.104	8	110.7725	0.011	8	110.7699	0.009	10	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7595	0.009	2	110.7595	0.000	2	110.7699	0.009	10	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.8679	0.138	8	110.8679	0.019	8	110.8135	0.028	10	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.5960	0.031	2	110.5960	0.001	2	110.8135	0.028	10	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9790	0.014	2	110.9790	0.000	2	110.9223	0.010	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.8090	0.000	1	110.8090	0.000	1	110.9223	0.010	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|S<2>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	111.0923	0.139	3	111.0923	0.019	3	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]2H)	111.2760	0.000	1	111.2760	0.000	1	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6130	0.016	2	110.6130	0.000	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	110.4465	0.212	4	110.4465	0.045	4	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9000	0.575	5	110.7595	0.141	13	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.6747	0.203	6	110.7595	0.141	13	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6625	0.006	2	110.7595	0.141	13	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.6352	0.100	4	110.7104	0.052	16	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.7354	0.255	12	110.7104	0.052	16	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>}	H(C[5]C[5]2H)	110.7345	0.040	2	110.7345	0.002	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6021	0.134	17	110.5743	0.017	31	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.6285	0.018	2	110.5743	0.017	31	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.5260	0.123	12	110.5743	0.017	31	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	110.7698	0.048	4	110.7723	0.047	12	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.7408	0.030	4	110.7723	0.047	12	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.4550	0.024	2	110.7723	0.047	12	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.1580	0.006	2	110.7723	0.047	12	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.0225	0.026	2	111.5322	1.153	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.7870	1.289	4	111.5322	1.153	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	110.9415	0.037	2	111.0278	0.009	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	111.0710	0.088	4	111.0278	0.009	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.6410	0.000	1	110.6410	0.000	1	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>}	H(C[5]C[5]2H)	111.7085	1.078	4	111.7085	1.163	4	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	110.8730	0.000	1	110.8730	0.000	1	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.8690	0.014	2	110.8690	0.000	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.2570	0.618	4	110.9181	0.047	63	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9887	0.087	4	110.9181	0.047	63	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	110.6750	0.044	4	110.9181	0.047	63	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	110.8941	0.136	49	110.9181	0.047	63	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|S<2>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1750	0.064	2	110.9181	0.047	63	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|Zn<4>,1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]2H)	111.4000	0.038	2	111.4000	0.001	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]2H)	111.2990	0.015	3	111.2443	0.101	7	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.8190	0.007	2	111.2443	0.101	7	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>}	H(C[5]C[5]2H)	111.5875	0.039	2	111.2443	0.101	7	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5]2H)	110.8900	0.004	2	110.8900	0.000	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1645	1.088	2	111.1645	1.184	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.1190	0.055	2	111.1758	0.005	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	111.2043	0.062	4	111.1758	0.005	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	111.0060	0.000	1	111.1010	0.007	3	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	111.1485	0.005	2	111.1010	0.007	3	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	110.9290	0.007	2	110.9290	0.000	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	110.9995	0.018	2	110.9995	0.000	2	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.3748	0.060	4	110.4907	0.839	12	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0618	0.253	4	110.4907	0.839	12	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	110.0355	1.510	4	110.4907	0.839	12	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.8330	0.168	8	110.8330	0.028	8	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>}	H(C[5]C[5]2H)	111.3600	0.182	14	111.3345	0.034	16	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.1560	0.020	2	111.3345	0.034	16	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>}	H(C[5]C[5]2H)	111.4090	0.000	1	111.4090	0.000	1	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	111.2060	0.000	1	112.3187	24.782	3	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	112.8750	6.907	2	112.3187	24.782	3	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{4|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{5|C<3>}	H(C[5]C[5]2H)	111.4253	0.059	4	111.4253	0.003	4	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	111.2620	0.042	2	111.2227	0.056	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Ir<8>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,3|C<3>}	H(C[5]C[5]2H)	110.9435	0.037	2	111.2227	0.056	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Rh<8>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,3|C<3>}	H(C[5]C[5]2H)	111.4625	0.026	2	111.2227	0.056	6	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]N[6])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>}	H(C[5]C[5]2H)	111.7957	0.315	4	111.7957	0.099	4	110.9431	0.433	247	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[4,5]C[5]H)	111.2525	0.016	2	111.2525	0.000	2	111.2525	0.000	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5]N[5,5,6]C[5]H)	110.5980	2.592	2	110.5980	6.720	2	110.4988	2.253	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]N[5,5,6]C[5]H)	110.3995	0.005	2	110.3995	0.000	2	110.4988	2.253	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,5,6]C[5]H)	111.4597	0.016	3	111.4597	0.000	3	111.4597	0.000	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]N[5,5]C[5]H)	111.2505	0.030	2	111.2505	0.001	2	111.2505	0.001	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]N[5,5]C[5]H)	113.2345	3.785	2	113.2345	14.327	2	111.7336	5.465	5	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	110.7330	0.109	3	110.7330	0.012	3	111.7336	5.465	5	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	111.2860	0.011	2	111.2860	0.000	2	112.6636	7.999	14	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	112.8932	3.009	12	112.8932	9.051	12	112.6636	7.999	14	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.1870	0.000	1	110.8383	0.061	12	110.8475	0.052	14	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	110.7966	0.259	9	110.8383	0.061	12	110.8475	0.052	14	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	110.8515	0.006	2	110.8383	0.061	12	110.8475	0.052	14	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5,5]C[5]H)	110.9030	0.031	2	110.9030	0.001	2	110.8475	0.052	14	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.1751	0.345	17	111.1751	0.119	17	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.0405	0.036	2	111.0405	0.001	2	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]N[5,5]C[5]H)	110.9137	0.029	4	110.9257	0.001	6	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.9495	0.012	2	110.9257	0.001	6	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.0570	0.017	2	111.0570	0.000	2	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.3630	0.006	2	111.3630	0.000	2	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	103.9780	4.163	2	110.9892	1.153	141	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	110.8905	0.045	2	110.9892	1.153	141	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.2950	0.023	2	110.9892	1.153	141	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.1110	0.578	128	110.9892	1.153	141	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	110.7057	0.338	7	110.9892	1.153	141	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.9963	0.792	10	110.9963	0.627	10	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]N[5,5]C[5]H)	111.6680	0.014	2	111.7757	1.238	10	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]N[5,5]C[5]H)	111.1240	0.030	2	111.7757	1.238	10	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.2210	0.030	2	111.7757	1.238	10	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.0585	0.006	2	111.7757	1.238	10	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	113.8070	0.612	2	111.7757	1.238	10	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.1418	0.053	6	111.1418	0.003	6	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	112.9695	3.251	2	112.9695	10.566	2	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|F<1>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.6460	0.102	4	111.6460	0.010	4	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.1045	0.043	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.3065	0.032	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	110.9032	0.170	4	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	109.7745	5.103	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.2615	0.032	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.0921	0.083	11	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.1955	0.018	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.5435	0.378	10	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.2362	0.122	6	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.5140	0.323	6	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	110.6882	0.037	4	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.5028	0.171	6	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	110.8575	0.009	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]N[5,5]C[5]H)	111.0905	0.013	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,5]C[5]H)	111.1290	0.000	1	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.4616	0.559	17	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]N[5,5]C[5]H)	110.9105	0.019	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]H)	111.4085	0.062	2	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.5485	0.178	4	111.0727	0.563	87	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	110.6235	0.228	4	110.9762	3.541	12	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.1526	2.331	8	110.9762	3.541	12	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	111.2032	2.743	4	111.2032	7.525	4	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	111.3190	0.020	2	111.3190	0.000	2	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	110.8735	0.008	2	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	110.9292	0.165	4	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,2|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	120.5365	7.872	2	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	111.7155	0.246	8	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Cu<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	110.5037	0.112	4	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	111.0390	0.006	2	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	110.3310	0.000	1	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	110.7781	0.098	8	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	110.5772	0.193	17	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	110.7947	0.213	8	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Rh<5>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[5]N[5,5]C[5]H)	111.0833	0.163	4	111.1902	4.283	60	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]N[5,5]C[5]H)	110.9880	0.023	2	110.9880	0.001	2	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2{1|C<3>,3|N<3>}	H(C[5]N[5,5]C[5]H)	111.6825	0.078	2	111.6825	0.006	2	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	112.8490	3.241	2	110.9214	2.993	8	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.2788	0.327	6	110.9214	2.993	8	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)2(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]N[5,5]HH)2(H)2{2|C<3>}	H(C[5]N[5,5]C[5]H)	111.5770	0.070	4	111.5770	0.005	4	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)2(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|Pd<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)2(H)2{2|C<3>}	H(C[5]N[5,5]C[5]H)	111.3043	0.131	3	111.3043	0.017	3	111.1033	1.538	386	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,2|O<2>,3|H<1>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	H(C[5]N[5,5]C[5]H)	110.0720	0.025	2	110.0720	0.001	2	110.0720	0.001	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]Zn2)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{2|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,5]Zn2)(C[5]N[5,5]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,5]C[5]H)	111.9620	0.079	4	111.9620	0.006	4	111.9620	0.006	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.3690	0.050	4	111.3690	0.002	4	111.4839	0.027	56	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.2280	0.000	1	111.3220	0.018	11	111.4839	0.027	56	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.3314	0.139	10	111.3220	0.018	11	111.4839	0.027	56	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.5822	0.098	34	111.5822	0.010	34	111.4839	0.027	56	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.5050	0.018	2	111.5050	0.000	2	111.4839	0.027	56	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.2550	0.123	5	111.2550	0.015	5	111.4839	0.027	56	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[5]N[5,6,6]C[5]H)	111.1700	0.034	2	111.1700	0.001	2	111.1700	0.001	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6,6]C[5]H)	111.0450	0.130	2	111.0450	0.017	2	111.5264	0.558	30	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6,6]C[5]H)	111.4924	0.581	24	111.5608	0.581	28	111.5264	0.558	30	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6,6]C[5]H)	110.9700	0.040	2	111.5608	0.581	28	111.5264	0.558	30	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]N[5,6,6]C[5]H)	112.9720	1.764	2	111.5608	0.581	28	111.5264	0.558	30	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H)	H(C[5]N[5,6]C[5]Br)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]Br)	107.9350	0.000	1	107.9350	0.000	1	107.9350	0.000	1	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9575	0.022	2	110.9575	0.000	2	110.9575	0.000	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.9035	0.056	15	110.8714	0.006	20	110.8714	0.006	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<2>,1|S<1>,3|C<4>}	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.7748	0.058	5	110.8714	0.006	20	110.8714	0.006	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.3210	0.000	1	111.3210	0.000	1	110.8763	0.150	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.6540	0.051	2	110.6540	0.003	2	110.8763	0.150	3	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.1677	0.026	4	111.1677	0.001	4	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.8905	0.066	2	110.8905	0.004	2	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.6620	0.037	2	110.6620	0.001	2	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[5]N[5,6]C[5]H)	111.5540	0.108	4	111.5540	0.012	4	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.7545	0.021	2	111.6953	0.005	4	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.6360	0.030	2	111.6953	0.005	4	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.6797	0.068	6	111.6797	0.005	6	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.8565	0.045	2	111.2061	3.507	26	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.6178	0.213	4	111.2061	3.507	26	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.6105	0.040	2	111.2061	3.507	26	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.4418	2.225	18	111.2061	3.507	26	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.1120	0.131	4	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.0144	0.326	19	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.1510	0.478	2	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.6270	0.004	2	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.8820	0.539	8	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.6710	0.000	1	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.3447	0.506	19	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.8317	0.067	7	111.0544	0.221	62	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.4895	0.181	4	111.4895	0.033	4	111.1714	0.943	114	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.1047	0.630	3	111.1047	0.397	3	111.0521	0.139	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.2470	0.031	2	111.2470	0.001	2	111.0521	0.139	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.7960	0.008	2	111.7960	0.000	2	111.0521	0.139	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.1330	0.007	2	111.1330	0.000	2	111.0521	0.139	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.9225	0.052	2	110.8407	0.024	9	111.0521	0.139	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.8173	0.168	7	110.8407	0.024	9	111.0521	0.139	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2{1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|H<1>,2|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]H)	110.9045	0.042	2	110.9045	0.002	2	111.0521	0.139	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.6650	0.000	1	110.6650	0.000	1	111.1444	1.771	5	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.0625	0.040	2	110.0625	0.002	2	111.1444	1.771	5	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	112.4660	1.008	2	112.4660	1.017	2	111.1444	1.771	5	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2{1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.4515	0.030	2	111.4515	0.001	2	111.4515	0.001	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.3825	0.059	2	111.3825	0.003	2	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.6070	0.013	2	110.6070	0.000	2	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0685	0.060	2	111.0685	0.004	2	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.6940	0.017	2	110.6940	0.000	2	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.6970	0.014	2	110.6970	0.000	2	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.7230	0.053	3	110.7230	0.003	3	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.6090	0.018	2	110.6776	0.099	10	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	111.1355	0.028	2	110.6776	0.099	10	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.8915	0.029	2	110.6776	0.099	10	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.3760	0.028	4	110.6776	0.099	10	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<4>,2|S<2>,3|H<1>}	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.5865	1.811	2	110.5865	3.279	2	110.7606	0.223	25	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H){1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.2620	0.021	2	111.2620	0.000	2	111.2620	0.000	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]N[5,6]C[5]H)	111.0565	0.037	2	111.0565	0.001	2	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.6690	0.000	1	110.6690	0.000	1	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0988	0.115	26	111.0988	0.013	26	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0700	0.008	2	111.0747	0.000	3	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0840	0.000	1	111.0747	0.000	3	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,6]C[5]H)	110.9175	0.005	2	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]N[5,6]C[5]H)	111.1098	0.058	4	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.7480	0.031	2	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	111.2190	0.029	4	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	110.9020	0.000	1	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.0995	0.015	2	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.0840	0.030	2	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.7925	0.008	2	111.0263	0.028	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	111.0505	0.008	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9550	0.037	4	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.1462	0.150	6	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9876	0.483	34	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]H)	110.8835	0.021	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	112.7755	3.270	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6]C[5]H)	110.8880	0.027	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]N[5,6]C[5]H)	110.9240	0.007	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9440	0.041	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9430	0.053	4	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0015	0.011	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.6505	0.308	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0891	0.278	8	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	111.0974	0.556	10	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{3|C<3>}	H(C[5]N[5,6]C[5]H)	110.9445	0.035	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.2190	0.105	10	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9765	0.056	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.2030	0.017	3	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.1205	0.006	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.0435	0.008	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9830	0.027	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	110.8041	0.427	10	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.5725	0.013	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,6]C[5]H)	111.3040	0.021	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0340	0.017	2	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.9285	0.100	13	111.0286	0.243	134	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	114.6565	3.061	2	111.4136	1.868	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9123	0.326	4	111.4136	1.868	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.2330	0.073	4	111.4136	1.868	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9803	0.090	3	111.4136	1.868	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	110.9685	0.166	4	111.4136	1.868	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0750	0.255	2	111.4136	1.868	19	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,3|H<1>}	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	110.9250	0.049	2	110.9250	0.002	2	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]N[5,6]C[5]H)	111.3425	0.016	2	111.3425	0.000	2	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]N[5,6]C[5]H)	110.9645	0.037	2	110.9645	0.001	2	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]H)	110.9390	0.029	3	111.0017	0.238	58	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.1307	0.558	35	111.0017	0.238	58	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9485	0.029	6	111.0017	0.238	58	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]N[5,6]C[5]H)	110.9045	0.127	4	111.0017	0.238	58	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.6398	0.325	10	111.0017	0.238	58	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)2(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]N[5,6]HH)2(H)2{2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0940	0.018	2	111.0280	0.006	4	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)2(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]HH)2(H)2{2|C<4>}	H(C[5]N[5,6]C[5]H)	110.9620	0.020	2	111.0280	0.006	4	111.0568	0.308	272	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|C<4>,2|O<2>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	109.9775	0.021	2	109.9775	0.000	2	109.9787	0.001	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	109.9793	0.028	4	109.9793	0.001	4	109.9787	0.001	6	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.3028	0.190	6	111.3028	0.036	6	111.0961	0.132	17	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9834	0.391	11	110.9834	0.153	11	111.0961	0.132	17	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]N[5,6a]C[5]H)	111.1658	0.081	4	111.1658	0.006	4	111.1658	0.006	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6a]C[5]H)	111.1513	0.116	3	111.1513	0.013	3	112.1908	4.570	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[5]N[5,6a]C[5]H)	111.2350	0.000	1	111.2350	0.000	1	112.1908	4.570	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6a]C[5]H)	111.0225	0.008	2	112.0720	4.850	14	112.1908	4.570	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]H)	112.2469	2.345	12	112.0720	4.850	14	112.1908	4.570	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6a]C[5]H)	115.0600	1.711	2	115.0600	2.928	2	112.1908	4.570	20	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9568	0.206	13	110.9568	0.042	13	110.9621	0.036	17	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9790	0.138	4	110.9790	0.019	4	110.9621	0.036	17	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.1900	0.023	2	110.1900	0.001	2	110.1900	0.001	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9016	0.134	10	110.9016	0.018	10	110.8753	0.014	16	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7425	0.021	2	110.7425	0.000	2	110.8753	0.014	16	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8758	0.024	4	110.8758	0.001	4	110.8753	0.014	16	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3396	0.183	8	111.3396	0.033	8	111.3396	0.033	8	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8335	0.006	2	110.8335	0.000	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2{1|C<6>,1|O<1>,2|H<1>,4|B<6>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<6>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9963	0.025	4	110.9963	0.001	4	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.8575	0.045	4	110.8575	0.002	4	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0435	0.248	4	111.0689	0.032	7	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1027	0.025	3	111.0689	0.032	7	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.7635	0.013	2	110.6598	0.020	9	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.6301	0.148	7	110.6598	0.020	9	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3150	0.045	2	111.3150	0.002	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2{5|C<3>}	H(C[5]C[5]N[5]H)	111.7270	0.095	2	111.7270	0.009	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7598	0.158	5	111.0122	0.062	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1330	0.000	1	111.0122	0.062	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0818	0.055	6	111.0122	0.062	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2880	0.175	6	111.0122	0.062	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	111.2215	0.055	4	111.0122	0.062	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7897	0.133	4	111.0122	0.062	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5]N[5]H)	110.8657	0.234	6	111.0122	0.062	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.4010	0.429	4	110.4010	0.184	4	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1116	0.264	9	111.0534	0.068	14	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9488	0.249	5	111.0534	0.068	14	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6200	0.031	2	111.9602	3.023	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	111.6430	1.127	2	111.9602	3.023	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	112.2124	1.808	26	111.9602	3.023	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5]N[5]H)	110.3385	0.028	2	111.9602	3.023	32	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0650	0.037	4	110.9660	0.016	8	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8670	0.104	4	110.9660	0.016	8	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.4415	0.043	2	110.4415	0.002	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8260	0.017	2	110.8260	0.000	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6425	0.013	2	110.6425	0.000	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]N[5]H)	111.2580	0.013	2	111.2580	0.000	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1463	0.206	9	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0284	0.129	8	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0258	0.185	8	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9653	0.150	3	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1984	0.046	8	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9609	2.009	10	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6165	0.156	4	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]N[5]H)	111.1325	0.016	2	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0126	0.325	16	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Ir<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.3275	0.357	2	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0913	0.034	4	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2265	0.030	2	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1715	0.006	2	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0968	0.038	4	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.3070	0.023	2	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1030	0.796	46	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9737	0.029	3	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9135	0.242	28	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8285	0.040	2	111.0398	0.440	163	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0405	0.077	2	111.0405	0.006	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.2155	0.357	4	111.2155	0.127	4	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0388	0.229	26	110.9281	0.248	135	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8915	0.547	105	110.9281	0.248	135	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|O<2>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1685	0.182	4	110.9281	0.248	135	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3345	0.015	2	111.2000	0.007	30	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2425	0.116	4	111.2000	0.007	30	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1582	0.052	13	111.2000	0.007	30	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2890	0.027	4	111.2000	0.007	30	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1640	0.072	7	111.2000	0.007	30	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9687	0.387	3	110.9723	0.042	21	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1230	0.145	6	110.9723	0.042	21	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8979	0.143	12	110.9723	0.042	21	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.7635	0.428	2	111.3902	0.247	4	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0170	0.017	2	111.3902	0.247	4	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9520	0.010	2	110.9520	0.000	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0185	0.032	2	111.0185	0.001	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2775	0.023	2	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	111.0795	0.032	2	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3183	1.070	85	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9373	0.147	31	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2720	0.054	2	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0897	0.105	15	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2142	0.102	4	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	111.0080	0.000	1	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.0845	0.011	2	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.8713	0.113	4	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.2700	0.000	1	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3538	1.028	83	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	111.0812	0.124	4	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1061	0.129	16	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1457	1.308	6	111.2355	0.772	258	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9835	0.040	4	110.9835	0.002	4	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	111.2895	0.026	2	111.2895	0.001	2	111.1219	0.588	755	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2	C[5](N[4,5,5]Ge[4,5,5]2C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2{1|Cl<1>,1|Ge<5>,1|C<4>,1|N<3>,1|N<4>}	C[5](N[4,5,5]Ge[4,5,5]2C[5])(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|N<4>,2|H<1>,3|N<3>}	H(C[5]C[5]N[5]H)	109.8325	0.130	4	109.8325	0.017	4	109.8325	0.017	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,3|C<3>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1180	0.468	2	111.1180	0.219	2	111.1180	0.219	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0410	0.000	1	111.0410	0.000	1	110.2648	0.275	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Ga<4>,2|C<3>,2|C<4>}	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	109.8880	0.000	1	110.0060	0.011	3	110.2648	0.275	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.0650	0.014	2	110.0060	0.011	3	110.2648	0.275	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CdC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]CdC)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1020	0.024	2	111.1020	0.001	2	111.1188	0.001	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1355	0.005	2	111.1355	0.000	2	111.1188	0.001	4	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[4,5]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2	H(C[5]O[4,5]C[5]H)	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2{4|Cl<1>,1|N<4>,1|O<3>,2|C<4>}	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2{1|Ga<5>,2|Cl<1>,1|O<3>}	H(C[5]O[4,5]C[5]H)	110.4625	0.012	2	110.4625	0.000	2	110.4625	0.000	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|B<6>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]O[5]H)	111.2450	0.308	4	111.1581	0.065	18	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<8>,4|B<6>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]O[5]H)	111.2105	0.230	8	111.1581	0.065	18	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Mo<9>,4|B<6>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]O[5]H)	111.0303	0.243	6	111.1581	0.065	18	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]O[5]H)	113.1456	1.443	8	113.1456	2.083	8	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9535	0.023	6	110.9535	0.001	6	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2{3|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9023	0.077	4	110.9023	0.006	4	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ge<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8992	0.040	4	110.8992	0.002	4	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2{2|O<2>,3|O<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7767	0.188	4	110.7767	0.036	4	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6508	0.279	4	110.6508	0.078	4	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{2|Cl<1>,1|O<2>,1|O<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7100	0.085	7	110.6169	0.022	15	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5354	0.150	8	110.6169	0.022	15	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Br<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2295	1.258	4	110.5141	0.544	15	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|O<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5390	0.538	8	110.5141	0.544	15	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8273	0.337	3	110.5141	0.544	15	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2{1|Nb<7>,2|Cl<1>,1|O<3>,2|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5016	1.682	8	110.5016	2.829	8	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<3>,2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6446	0.199	7	110.6446	0.040	7	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2{1|O<3>,4|H<1>,4|N<3>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9485	0.041	4	110.9485	0.002	4	110.9684	0.944	97	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<4>}	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<4>}	H(C[5]C[5]O[5]H)	109.5530	0.047	2	109.5530	0.002	2	109.5530	0.002	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	P[5]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|Fe<5>,1|P<3>,3|C<3>}	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	H(C[5]C[5]P[5]H)	108.9430	0.004	2	108.9430	0.000	2	108.9430	0.000	2	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]B[3x3,4,5x5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]B[3x3,4,5x5,6]C[5])(C[5]C[5]HH)(H)2{1|Mn<8>,1|C<5>,3|B<6>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.6318	0.044	5	110.6318	0.002	5	110.6318	0.002	5	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	Se[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]Se[5,5]HH)2(H)2	H(C[5]Se[5,5]C[5]H)	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]Se[5,5]HH)2(H)2{2|C<4>}	H(C[5]Se[5,5]C[5]H)	109.5406	0.478	8	109.5406	0.229	8	109.5406	0.229	8	111.1219	0.758	3193	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,5|C<4>}	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.0935	0.042	2	111.0935	0.002	2	111.0935	0.002	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2335	0.039	2	111.2335	0.002	2	111.2335	0.002	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|C<5>,2|C<3>,2|H<1>}	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	H(C[5]C[5,6a]C[5]H)	110.9595	0.032	2	110.9595	0.001	2	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0800	0.492	2	110.5105	1.413	6	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.2258	1.397	4	110.5105	1.413	6	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0712	0.171	6	111.0160	0.343	22	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9954	0.685	16	111.0160	0.343	22	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0580	0.000	1	111.0580	0.000	1	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)2(OC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(OC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9473	0.017	3	110.9473	0.000	3	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)2(OC[6a])(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(OC[6a])(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9317	0.047	4	110.9317	0.002	4	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1420	0.078	4	111.1420	0.006	4	110.9412	0.383	42	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6a]C[5]H)	111.6610	0.014	2	111.6610	0.000	2	111.6610	0.000	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2{2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|C<3>,3|C<4>}	H(C[5]C[5]2H)	111.0555	0.019	2	111.0555	0.000	2	111.4297	0.187	4	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	111.8040	0.031	2	111.8040	0.001	2	111.4297	0.187	4	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	H(C[5]C[5]2H)	111.8373	0.139	6	111.8373	0.019	6	111.8373	0.019	6	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.6965	0.069	2	110.6965	0.005	2	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.1125	0.223	6	111.0748	0.122	16	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.0045	0.023	2	111.0748	0.122	16	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){3|C<3>}	H(C[5]N[5,5]C[5]H)	111.3390	0.006	2	111.0748	0.122	16	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.2913	0.218	4	111.0748	0.122	16	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.3350	0.028	2	111.0748	0.122	16	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.0530	1.756	2	110.0530	3.085	2	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	111.1940	0.102	4	111.1940	0.010	4	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	110.1980	0.068	4	110.1980	0.005	4	110.8666	0.343	28	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2	C[5](C[5]N[5,5]HH)2(SS)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]N[5,5]HH)2(SS)(H){2|C<3>}	H(C[5]N[5,5]C[5]H)	111.3558	0.052	6	111.3558	0.003	6	111.3558	0.003	6	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.4195	0.021	2	111.4195	0.000	2	111.4195	0.000	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H){1|S<2>,2|C<3>}	H(C[5]N[5,6,6]C[5]H)	111.1280	0.010	2	111.1280	0.000	2	111.1280	0.000	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	109.1125	3.659	2	109.1125	13.390	2	109.1125	13.390	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.1030	0.000	1	111.1030	0.000	1	110.8179	0.537	11	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	111.0657	0.179	6	111.0436	0.025	8	110.8179	0.537	11	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	110.9775	0.013	2	111.0436	0.025	8	110.8179	0.537	11	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	109.7725	1.589	2	109.7725	2.525	2	110.8179	0.537	11	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2{2|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H){1|N<2>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0440	0.014	2	111.0440	0.000	2	111.0440	0.000	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.2380	0.024	2	111.2380	0.001	2	111.3432	0.005	9	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.3830	0.032	3	111.3830	0.001	3	111.3432	0.005	9	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.4030	0.023	2	111.4030	0.001	2	111.3432	0.005	9	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.3290	0.020	2	111.3290	0.000	2	111.3432	0.005	9	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.5265	0.008	2	111.5265	0.000	2	111.5265	0.000	2	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2790	0.018	2	111.2790	0.000	2	110.7423	0.147	10	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4507	0.045	6	110.4507	0.002	6	110.7423	0.147	10	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0805	0.042	2	111.0805	0.002	2	110.7423	0.147	10	111.0123	0.483	132	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CN)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CN)2{6|C<3>}	H(C[5]C[5,6a]C[5]H)	106.6830	0.518	2	106.6830	0.268	2	106.6830	0.268	2	106.6830	0.268	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:2:3:	4:	C[5]-3:C[5]-4:H-1:H-1:	C-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CC)(H)2	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CC)(H)2{2|C<3>}	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO){1|C<3>}	H(C[5]C[5]2H)	111.7500	0.041	2	111.7500	0.002	2	111.7500	0.002	2	111.7500	0.002	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCO)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0500	0.018	2	111.0500	0.000	2	111.0500	0.000	2	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H){1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.4830	0.006	2	111.4830	0.000	2	111.2797	0.055	4	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H){4|C<3>}	H(C[5]C[5,5a]C[5]H)	111.0765	0.018	2	111.0765	0.000	2	111.2797	0.055	4	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.5325	0.025	2	111.5325	0.001	2	111.2962	0.047	5	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5]H)	111.1445	0.052	2	111.1445	0.003	2	111.2962	0.047	5	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.1270	0.000	1	111.1270	0.000	1	111.2962	0.047	5	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)2(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(COO)(H){2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9175	0.029	4	110.9175	0.001	4	110.9175	0.001	4	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0125	0.047	2	111.0125	0.002	2	111.1317	0.020	4	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.2510	0.020	2	111.2510	0.000	2	111.1317	0.020	4	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.1510	0.099	2	110.1510	0.010	2	110.1510	0.010	2	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:C-3:O-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O){1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]O)	104.2040	0.000	1	104.2040	0.000	1	104.2040	0.000	1	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H){1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9290	0.037	2	110.9290	0.001	2	110.8063	0.011	6	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6a]C[5]H)	110.7045	0.042	2	110.7045	0.002	2	110.8063	0.011	6	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H){2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6a]C[5]H)	110.7855	0.008	2	110.7855	0.000	2	110.8063	0.011	6	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0690	0.024	4	111.0690	0.001	4	111.1595	0.020	6	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3405	0.049	2	111.3405	0.002	2	111.1595	0.020	6	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1120	0.011	2	111.1120	0.000	2	110.9948	0.022	5	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0800	0.000	1	111.0800	0.000	1	110.9948	0.022	5	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8350	0.018	2	110.8350	0.000	2	110.9948	0.022	5	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6985	0.125	2	110.6985	0.016	2	110.6985	0.016	2	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0285	0.013	4	111.0285	0.000	4	111.0621	0.038	18	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0625	0.030	2	110.8718	0.039	6	111.0621	0.038	18	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6295	0.026	2	110.8718	0.039	6	111.0621	0.038	18	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9235	0.016	2	110.8718	0.039	6	111.0621	0.038	18	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2860	0.018	2	111.2860	0.000	2	111.0621	0.038	18	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2127	0.024	4	111.2127	0.001	4	111.0621	0.038	18	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1750	0.013	2	111.1750	0.000	2	111.0621	0.038	18	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3590	0.016	2	111.3590	0.000	2	111.3590	0.000	2	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.4899	2.863	8	110.4899	8.195	8	110.4899	8.195	8	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4535	0.016	2	110.4535	0.000	2	111.1313	0.178	9	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.0395	0.011	2	111.0395	0.000	2	111.1313	0.178	9	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.4392	0.064	5	111.4392	0.004	5	111.1313	0.178	9	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.3784	0.101	7	110.3784	0.010	7	110.3784	0.010	7	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	110.9550	0.000	1	110.9550	0.000	1	112.4319	4.556	7	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[5]H)	112.6780	2.227	6	112.6780	4.958	6	112.4319	4.556	7	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H){1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H){2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.8125	0.025	2	111.8125	0.001	2	111.8125	0.001	2	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.0747	0.071	3	111.0747	0.005	3	111.0747	0.005	3	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.4985	0.021	2	111.4985	0.000	2	111.2064	0.120	10	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4680	0.000	1	111.4680	0.000	1	111.2064	0.120	10	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3245	0.019	2	111.3245	0.000	2	111.2064	0.120	10	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.5460	0.000	1	111.0867	0.220	3	111.2064	0.120	10	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3570	0.030	2	111.0867	0.220	3	111.2064	0.120	10	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6600	0.000	1	110.6600	0.000	1	111.2064	0.120	10	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0300	0.000	1	111.0300	0.000	1	111.2064	0.120	10	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H){1|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7175	0.040	2	110.7175	0.002	2	110.7175	0.002	2	111.0144	1.449	111	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)(NC)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)(NC){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2837	0.085	4	111.2837	0.007	4	111.2837	0.007	4	111.1139	0.037	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9517	0.044	3	110.9517	0.002	3	110.9517	0.002	3	111.1139	0.037	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:2:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	111.1139	0.037	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.1935	0.629	2	110.1935	0.395	2	110.1935	0.395	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(COO)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.5230	0.011	4	111.5230	0.000	4	111.4940	0.002	6	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]HH)(COO)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]HH)(COO)2{1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.4360	0.011	2	111.4360	0.000	2	111.4940	0.002	6	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	B[5,5]-4:C[5]-4:B[5]-3:B[5]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2	C[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]HH)(B[5]O[5]2)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2{1|H<1>,2|C<3>,6|O<2>}	C[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]HH)(B[5]O[5]2)2{2|C<3>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.0545	0.008	2	110.0545	0.000	2	110.0545	0.000	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8735	0.081	2	110.8735	0.007	2	110.8735	0.007	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(COO)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0270	0.010	2	111.0270	0.000	2	110.4154	2.575	14	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0590	0.065	3	110.3135	2.964	12	110.4154	2.575	14	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	109.6013	2.302	6	110.3135	2.964	12	110.4154	2.575	14	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9923	0.054	3	110.3135	2.964	12	110.4154	2.575	14	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1107	0.014	3	111.0311	0.006	7	111.0311	0.006	7	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.9715	0.032	4	111.0311	0.006	7	111.0311	0.006	7	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0678	0.269	4	111.0678	0.072	4	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8437	0.169	3	110.8437	0.029	3	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1338	0.148	4	111.1338	0.022	4	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CC[6a]O)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CC[6a]O)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7547	0.067	7	110.7547	0.005	7	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.8316	0.689	14	111.8316	0.475	14	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9114	0.162	9	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2845	0.019	2	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0468	0.094	5	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9793	0.125	22	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]C[5,6a]HH)2(COO)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.3005	0.015	2	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9435	0.065	4	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0873	0.144	3	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0476	0.097	14	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0020	0.293	6	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8338	4.027	24	110.9657	4.170	91	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]H)	111.2590	0.037	2	111.2590	0.001	2	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8730	0.020	2	110.8730	0.000	2	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0135	0.015	2	111.0135	0.000	2	111.0576	3.062	129	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)(NCH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)(NCH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0687	0.190	12	111.0687	0.036	12	111.0137	0.045	20	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(COO)(NCH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)(NCH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9311	0.228	8	110.9311	0.052	8	111.0137	0.045	20	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO){6|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8260	0.021	2	110.8260	0.000	2	110.8260	0.000	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6510	0.020	2	110.6510	0.000	2	110.6510	0.000	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2{1|C<2>,2|C<3>}	H(C[5]C[5]2H)	110.6730	0.033	2	110.6730	0.001	2	110.6386	0.034	7	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{5|C<3>}	H(C[5]C[5]2H)	110.4627	0.040	3	110.4627	0.002	3	110.6386	0.034	7	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8680	0.008	2	110.8680	0.000	2	110.6386	0.034	7	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,7|H<1>}	H(C[5]N[5,5]C[5]H)	110.9610	0.030	2	110.9610	0.001	2	110.9610	0.001	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	110.7548	0.035	4	110.7548	0.001	4	111.0314	0.116	22	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.8092	0.111	4	111.1043	0.063	14	111.0314	0.116	22	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.2275	0.040	2	111.1043	0.063	14	111.0314	0.116	22	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.3780	0.109	4	111.1043	0.063	14	111.0314	0.116	22	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.9470	0.078	2	111.1043	0.063	14	111.0314	0.116	22	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.1810	0.020	2	111.1043	0.063	14	111.0314	0.116	22	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	111.0528	0.638	4	111.0528	0.407	4	111.0314	0.116	22	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2{4|C<3>}	H(C[5]N[5,5a]C[5]H)	111.1150	0.018	2	111.1150	0.000	2	111.1150	0.000	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:3:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8755	0.012	2	110.8755	0.000	2	110.8755	0.000	2	110.9817	2.002	221	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9755	0.032	2	110.9755	0.001	2	110.9755	0.001	2	110.9755	0.001	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	B[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](B[5]C[6a]O[5])(C[5]C[5]HP)(H)2	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]O[5])(C[5]C[5]HP)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H){1|C<3>}	H(C[5]B[5]C[5]H)	111.3555	0.005	2	111.3555	0.000	2	111.3555	0.000	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.7985	0.021	2	110.7985	0.000	2	111.0676	0.128	8	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)2(CC3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HH)2(CC3)(H){2|S<2>}	H(C[5]C[5,5]C[5]H)	111.0288	0.411	4	111.0288	0.169	4	111.0676	0.128	8	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H){1|C<3>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.4145	0.019	2	111.4145	0.000	2	111.0676	0.128	8	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H){1|C<3>,1|S<2>}	H(C[5]C[5,5a]C[5]H)	110.9395	0.199	2	110.9395	0.039	2	111.0838	0.041	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{2|N<2>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	H(C[5]C[5,5a]C[5]H)	111.2280	0.018	2	111.2280	0.000	2	111.0838	0.041	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H){1|S<2>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.7225	0.021	2	111.7225	0.000	2	111.7225	0.000	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	112.5420	2.960	2	112.5420	8.761	2	112.5420	8.761	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0645	0.035	2	111.0645	0.001	2	111.1630	0.015	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2615	0.069	2	111.2615	0.005	2	111.1630	0.015	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.5635	1.316	2	110.5635	1.732	2	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0183	0.027	3	111.0183	0.001	3	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8293	0.039	4	110.8293	0.002	4	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0200	0.000	1	111.0200	0.000	1	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0380	0.055	7	110.9624	0.013	11	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8300	0.037	4	110.9624	0.013	11	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	109.9450	2.707	2	109.9450	7.327	2	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1893	1.288	4	111.1893	1.659	4	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0820	0.008	2	111.0820	0.000	2	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<3>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8255	0.006	2	110.8255	0.000	2	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0505	0.042	2	111.0505	0.002	2	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0920	0.353	4	111.0920	0.124	4	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2405	0.182	4	111.2405	0.033	4	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6240	1.011	2	110.6240	1.022	2	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6340	1.088	4	110.6340	1.184	4	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)2(CCHH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1072	0.086	8	111.1072	0.007	8	110.9389	0.430	55	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1590	0.016	2	111.1590	0.000	2	111.1590	0.000	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3820	2.070	4	111.3820	4.286	4	111.3820	4.286	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4330	0.346	2	111.4330	0.120	2	111.4330	0.120	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6a]HH)2(NH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(NH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4963	0.018	4	111.4963	0.000	4	111.4963	0.000	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4610	0.045	2	111.4610	0.002	2	111.4185	0.005	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3760	0.082	2	111.3760	0.007	2	111.4185	0.005	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{1|Br<1>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9660	0.018	2	110.9525	0.002	4	111.1547	0.099	6	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9390	0.062	2	110.9525	0.002	4	111.1547	0.099	6	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,6a]HH)2(SN[6]OO)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(SN[6]OO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5590	0.018	2	111.5590	0.000	2	111.1547	0.099	6	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2{1|B<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.2150	0.049	2	110.2150	0.002	2	110.2150	0.002	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	B[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2{1|B<5>,1|C<3>,1|H<1>,2|C<4>}	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6660	0.014	2	110.6660	0.000	2	110.6660	0.000	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]O)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]O)(C[5]C[5,5]CH)(H)2{4|C<4>}	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.5480	0.011	2	110.5480	0.000	2	110.5480	0.000	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|S<2>,3|C<3>}	H(C[5]C[5]2H)	110.3955	0.011	2	110.3955	0.000	2	110.9411	0.192	7	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H){1|C<3>}	H(C[5]C[5]2H)	111.3825	0.008	2	111.3825	0.000	2	110.9411	0.192	7	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.6910	0.000	1	111.0107	0.077	3	110.9411	0.192	7	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>}	H(C[5]C[5]2H)	111.1705	0.029	2	111.0107	0.077	3	110.9411	0.192	7	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	H(C[5]N[5,5]C[5]H)	110.8102	0.123	5	110.8102	0.015	5	110.8102	0.015	5	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2{1|H<1>,1|S<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	110.2265	0.058	4	110.2265	0.003	4	110.2265	0.003	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H){1|C<3>,1|N<3>}	H(C[5]N[5,5]C[5]H)	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	H(C[5]N[5,5a]C[5]H)	111.5720	0.030	2	111.5720	0.001	2	111.4698	0.017	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H){2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.3675	0.090	2	111.3675	0.008	2	111.4698	0.017	4	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.1298	0.018	6	111.1298	0.000	6	111.0337	0.016	10	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.8895	0.009	4	110.8895	0.000	4	111.0337	0.016	10	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	111.0740	0.040	2	112.2867	6.097	8	111.2639	4.331	15	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	112.6910	2.784	6	112.2867	6.097	8	111.2639	4.331	15	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.0370	0.024	2	110.0918	0.004	6	111.2639	4.331	15	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.0815	0.029	2	110.0918	0.004	6	111.2639	4.331	15	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.1570	0.078	2	110.0918	0.004	6	111.2639	4.331	15	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	110.1130	0.000	1	110.1130	0.000	1	111.2639	4.331	15	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.3485	0.015	2	111.3485	0.000	2	111.3485	0.000	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H){1|C<3>,6|H<1>}	H(C[5]C[5]N[5]H)	112.0320	0.054	2	112.0320	0.003	2	112.0320	0.003	2	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0980	0.011	2	111.0980	0.000	2	110.8546	0.083	17	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<4>}	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0490	0.007	2	111.0490	0.000	2	110.8546	0.083	17	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.6867	0.016	3	110.6867	0.000	3	110.8546	0.083	17	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1202	0.090	4	111.1202	0.008	4	110.8546	0.083	17	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.2720	0.089	2	110.2720	0.008	2	110.8546	0.083	17	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.7035	0.067	2	110.7035	0.005	2	110.8546	0.083	17	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8710	0.035	2	110.8710	0.001	2	110.8546	0.083	17	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0273	0.278	3	111.0273	0.077	3	110.8796	0.080	5	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.6580	0.035	2	110.6580	0.001	2	110.8796	0.080	5	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8560	0.032	6	110.8560	0.001	6	110.8560	0.001	6	111.0459	0.703	184	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH){4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0755	0.021	2	111.0755	0.000	2	111.0365	0.002	6	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0130	0.045	2	111.0130	0.002	2	111.0365	0.002	6	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0210	0.062	2	111.0210	0.004	2	111.0365	0.002	6	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.5915	0.037	2	110.5915	0.001	2	110.5915	0.001	2	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6705	0.018	2	110.6705	0.000	2	110.6705	0.000	2	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0820	0.000	1	111.0820	0.000	1	110.7610	0.083	5	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4550	0.004	2	110.4550	0.000	2	110.7610	0.083	5	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9065	0.033	2	110.9065	0.001	2	110.7610	0.083	5	110.8365	0.056	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.4530	1.689	2	110.4530	2.851	2	110.4530	2.851	2	110.8452	0.841	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:3:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(NH3)(COO)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(NH3)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1067	0.015	3	111.1067	0.000	3	111.1067	0.000	3	110.8452	0.841	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0586	0.071	9	111.0154	0.012	13	111.0154	0.012	13	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Si<2>,1|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9190	0.195	2	111.0154	0.012	13	111.0154	0.012	13	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Si<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9175	0.070	2	111.0154	0.012	13	111.0154	0.012	13	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	110.6360	0.218	2	110.9808	0.061	9	111.0268	0.053	13	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	111.0793	0.151	7	110.9808	0.061	9	111.0268	0.053	13	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2{1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.2760	0.006	2	111.2760	0.000	2	111.0268	0.053	13	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2{2|C<3>}	H(C[5]C[5,5a]C[5]H)	110.9850	0.006	2	110.9850	0.000	2	111.0268	0.053	13	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6,6]HH)2(CHHO)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2{2|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]HH)2(CHHO)2{2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.1928	0.032	4	111.1928	0.001	4	111.1928	0.001	4	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|O<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0755	0.022	2	111.0755	0.000	2	111.1494	0.039	7	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.1660	0.024	2	111.1660	0.001	2	111.1494	0.039	7	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8070	0.000	1	110.8070	0.000	1	111.1494	0.039	7	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.3780	0.014	2	111.3780	0.000	2	111.1494	0.039	7	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2	C[5](C[5]C[5,6]HH)2(SC[6a]OO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.4886	0.648	14	110.4886	0.420	14	110.4886	0.420	14	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1870	0.008	2	111.1870	0.000	2	111.1870	0.000	2	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]H)	112.5730	1.387	2	112.5730	1.925	2	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0590	0.000	1	111.0590	0.000	1	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.5091	1.190	13	110.5091	1.417	13	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9500	0.000	1	110.9543	0.007	10	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0335	0.042	2	110.9543	0.007	10	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CH3)2	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9323	0.089	7	110.9543	0.007	10	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]H)	109.9162	1.378	4	109.9162	1.900	4	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8665	0.009	2	110.9685	0.015	4	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0705	0.047	2	110.9685	0.015	4	110.7619	1.079	34	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:P-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2	C[5](C[5]C[5,6a]HH)2(NH3)(PO3)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(NH3)(PO3){2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.0203	2.817	4	110.0203	7.938	4	110.0203	7.938	4	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8053	0.071	4	110.8053	0.005	4	110.7120	0.057	16	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7718	0.122	6	110.6210	0.089	8	110.7120	0.057	16	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.1685	0.030	2	110.6210	0.089	8	110.7120	0.057	16	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.6625	0.012	2	110.8007	0.028	4	110.7120	0.057	16	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>}	H(C[5]C[5]2H)	110.9390	0.088	2	110.8007	0.028	4	110.7120	0.057	16	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	110.6270	0.010	2	110.6270	0.000	2	110.8775	0.129	6	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3){3|C<3>}	H(C[5]N[5,5]C[5]H)	110.6675	0.033	2	110.6675	0.001	2	110.8775	0.129	6	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]N[5,5]C[5]H)	111.3380	0.064	2	111.3380	0.004	2	110.8775	0.129	6	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2{2|C<3>}	H(C[5]N[5,5a]C[5]H)	111.0990	0.004	2	111.0990	0.000	2	111.0990	0.000	2	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]H)	111.6455	1.456	2	111.6455	2.120	2	110.9988	0.406	9	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]N[5,6]C[5]H)	110.8140	0.095	7	110.8140	0.009	7	110.9988	0.406	9	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9755	0.009	2	110.9755	0.000	2	110.9755	0.000	2	110.8283	0.625	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	6:4:1:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	H(C[5]C[5,6]C[5]H)	109.9960	0.048	2	109.9960	0.002	2	109.9960	0.002	2	109.9960	0.002	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:1:1:	6:4:4:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	H(C[5]C[5,6]C[5]H)	109.9460	0.278	6	109.9460	0.077	6	109.9460	0.077	6	109.9460	0.077	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]O)	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	111.5195	6.738	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2O)	113.3550	0.000	1	113.3550	0.000	1	113.3550	0.000	1	111.5195	6.738	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|O<1>,3|C<3>}	H(C[5]C[5]N[5]O)	111.0890	0.000	1	111.0890	0.000	1	110.4394	0.758	14	110.4394	0.758	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]O)	109.4190	1.585	2	109.4190	2.513	2	110.4394	0.758	14	110.4394	0.758	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){1|S<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	H(C[5]C[5]N[5]O)	110.8740	0.004	2	110.8740	0.000	2	110.4394	0.758	14	110.4394	0.758	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|O<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	H(C[5]C[5]N[5]O)	108.9870	0.000	1	108.9870	0.000	1	110.4394	0.758	14	110.4394	0.758	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){1|S<1>,3|C<3>}	H(C[5]C[5]N[5]O)	111.0175	0.525	2	111.0175	0.276	2	110.4394	0.758	14	110.4394	0.758	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	H(C[5]C[5]N[5]O)	110.4183	0.572	4	110.5757	0.259	6	110.4394	0.758	14	110.4394	0.758	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:2:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|Se<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|Se<1>,3|C<3>}	H(C[5]C[5]N[5]O)	110.8905	0.134	2	110.5757	0.259	6	110.4394	0.758	14	110.4394	0.758	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	H(C[5]C[5,6a]C[5]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O[5])	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.4210	0.542	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:3:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	H(C[5]C[5a]C[5]O[5])	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	108.4210	0.542	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	108.4210	0.542	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H){1|N<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]O)	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3965	0.323	2	109.9296	8.511	21	109.9296	8.511	21	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	115.9780	8.618	2	109.9296	8.511	21	109.9296	8.511	21	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2807	0.967	17	109.9296	8.511	21	109.9296	8.511	21	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2{3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2{1|B<3>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2095	0.214	4	109.2095	0.046	4	109.2878	0.065	5	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6010	0.000	1	109.6010	0.000	1	109.2878	0.065	5	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{3|C<3>}	H(C[5]C[6a]C[5]S[5])	108.1500	0.482	2	108.3677	0.258	3	108.3677	0.258	3	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{1|S<1>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	108.8030	0.000	1	108.3677	0.258	3	108.3677	0.258	3	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H)	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]Se[5]C[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<3>}	H(C[5]C[6a]Se[5]C[5])	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[5](C[5]N[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|S<1>,2|C<3>}	C[5](C[5]N[5]HO)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]O)	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	110.9205	2.824	13	110.9205	7.973	13	110.9205	7.973	13	110.0180	6.244	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:2:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	109.9700	0.000	1	109.9700	0.000	1	109.5000	0.183	3	109.3656	0.246	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:2:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5a]C[5]O[5])	109.3960	0.000	1	109.3960	0.000	1	109.5000	0.183	3	109.3656	0.246	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:2:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5a]C[5]O[5])	109.1340	0.000	1	109.1340	0.000	1	109.5000	0.183	3	109.3656	0.246	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:2:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2850	0.564	5	109.2850	0.318	5	109.2850	0.318	5	109.3656	0.246	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:3:1:	4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H){2|C<3>}	H(C[5]C[5,6]C[5]O)	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	109.6597	0.472	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	109.6597	0.472	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	109.6597	0.472	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:3:3:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]O)	109.5060	1.230	2	109.5060	1.514	2	109.5060	1.514	2	108.9874	0.648	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9620	0.000	1	108.9620	0.000	1	108.6417	0.091	3	108.9874	0.648	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4815	0.166	2	108.4815	0.028	2	108.6417	0.091	3	108.9874	0.648	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:3:4:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.8760	0.520	2	110.8760	0.271	2	110.8760	0.271	2	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.4830	0.000	1	109.4830	0.000	1	110.3927	1.861	3	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H){1|S<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	111.9610	0.000	1	111.9610	0.000	1	110.3927	1.861	3	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H){3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7340	0.000	1	109.7340	0.000	1	110.3927	1.861	3	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5050	0.000	1	109.5050	0.000	1	109.8840	0.287	2	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	110.2630	0.000	1	110.2630	0.000	1	109.8840	0.287	2	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.0555	0.473	2	109.0555	0.224	2	109.0555	0.224	2	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	108.8310	0.000	1	108.8310	0.000	1	109.6280	0.373	4	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	110.2070	0.000	1	109.8937	0.137	3	109.6280	0.373	4	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	109.7370	0.355	2	109.8937	0.137	3	109.6280	0.373	4	109.9478	0.829	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9550	0.000	1	108.9550	0.000	1	108.9880	0.002	2	108.3163	1.354	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H){2|C<3>,2|H<1>,3|O<2>}	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO){2|C<3>,3|O<2>}	H(C[5]C[6a]C[5]O[5])	109.0210	0.000	1	109.0210	0.000	1	108.9880	0.002	2	108.3163	1.354	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	108.3163	1.354	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:2:4:4:	4:	C[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]C[6]O[5])	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.1260	0.000	1	110.1260	0.000	1	109.8268	0.052	4	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.7075	0.187	2	109.7075	0.035	2	109.8268	0.052	4	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.7660	0.000	1	109.7660	0.000	1	109.8268	0.052	4	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.2150	0.000	1	110.2150	0.000	1	110.9763	3.043	3	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	111.3570	2.284	2	111.3570	5.216	2	110.9763	3.043	3	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]S)	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]S)	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	H(C[5]C[5a]C[5]O[5])	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4990	0.000	1	109.3890	0.024	2	109.3890	0.024	2	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2790	0.000	1	109.3890	0.024	2	109.3890	0.024	2	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2210	0.000	1	109.2210	0.000	1	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9670	0.000	1	108.7720	0.049	3	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8170	0.000	1	108.7720	0.049	3	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5320	0.000	1	108.7720	0.049	3	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6460	0.000	1	109.6460	0.000	1	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2{3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8190	0.000	1	108.8190	0.000	1	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7162	0.514	5	108.7162	0.264	5	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7170	0.000	1	110.2840	0.643	2	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	110.8510	0.000	1	110.2840	0.643	2	109.0885	0.504	13	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6015	0.138	2	108.5723	0.012	3	108.8858	0.319	6	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5140	0.000	1	108.5723	0.012	3	108.8858	0.319	6	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Re<6>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2{3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.3330	0.000	1	109.3330	0.000	1	108.8858	0.319	6	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.8240	0.000	1	109.1325	0.956	2	108.8858	0.319	6	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4410	0.000	1	109.1325	0.956	2	108.8858	0.319	6	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	108.7260	0.790	3	108.7260	0.625	3	108.7260	0.625	3	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	109.8625	0.859	4	109.8625	0.738	4	109.0771	0.834	10	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2{1|S<1>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	107.7060	0.000	1	107.7060	0.000	1	109.0771	0.834	10	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	108.7560	0.167	3	108.8245	0.037	4	109.0771	0.834	10	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	109.0300	0.000	1	108.8245	0.037	4	109.0771	0.834	10	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2{1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	108.3170	0.000	1	108.3170	0.000	1	109.0771	0.834	10	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H){3|C<3>}	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	110.6490	1.455	2	110.6490	2.118	2	110.6490	2.118	2	109.3657	1.073	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	112.2110	0.234	4	112.2110	0.055	4	112.2110	0.055	4	111.7284	1.206	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:2:1:	4:	N[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H)	H(C[5]N[5,6a]C[5]O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H){1|C<3>,1|N<2>}	H(C[5]N[5,6a]C[5]O)	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	111.7284	1.206	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:2:2:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:2:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	111.4760	0.000	1	111.4760	0.000	1	111.0575	0.350	2	109.8990	4.202	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:2:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	110.6390	0.000	1	110.6390	0.000	1	111.0575	0.350	2	109.8990	4.202	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:2:4:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	109.8990	4.202	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	109.7970	1.229	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	109.7970	1.229	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7620	0.000	1	109.7620	0.000	1	109.6715	0.016	2	109.7970	1.229	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5810	0.000	1	109.5810	0.000	1	109.6715	0.016	2	109.7970	1.229	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	109.7970	1.229	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H){1|S<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0740	0.000	1	109.0740	0.000	1	110.3805	3.414	2	109.7970	1.229	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H){1|S<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	111.6870	0.000	1	111.6870	0.000	1	110.3805	3.414	2	109.7970	1.229	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	108.5362	1.413	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.1453	1.097	3	108.1453	1.202	3	108.1453	1.202	3	108.5362	1.413	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	111.3100	0.000	1	111.3100	0.000	1	110.0765	3.043	2	110.0765	3.043	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	108.8430	0.000	1	108.8430	0.000	1	110.0765	3.043	2	110.0765	3.043	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H){1|Br<1>,1|C<2>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.4955	0.288	2	110.4955	0.083	2	110.6463	0.110	3	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.9480	0.000	1	110.9480	0.000	1	110.6463	0.110	3	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5590	0.431	4	108.5590	0.186	4	108.5590	0.186	4	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	110.0775	0.169	2	110.0775	0.029	2	110.0775	0.029	2	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6041	0.420	16	108.5920	0.139	29	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5772	0.322	13	108.5920	0.139	29	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H){1|S<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	106.0410	3.684	2	106.0410	13.572	2	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.3860	0.000	1	109.3860	0.000	1	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8610	0.252	2	108.8610	0.063	2	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3170	0.000	1	108.4342	0.180	12	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4448	0.444	11	108.4342	0.180	12	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6710	0.000	1	108.6710	0.000	1	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H){2|C<3>,2|O<1>}	H(C[5]C[6a]C[5]O[5])	108.6790	0.000	1	108.6790	0.000	1	108.4775	0.702	48	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	108.6975	1.039	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN){3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	108.6715	0.028	2	108.6715	0.001	2	108.6715	0.001	2	108.6715	0.001	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	H(C[5]C[5,5a]C[5]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	H(C[5]C[5,5a]C[5]O)	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H){1|H<1>,5|C<4>}	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]O)	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]O)	109.0540	0.000	1	109.0540	0.000	1	109.6567	3.841	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]O)	108.0690	0.000	1	108.0690	0.000	1	109.6567	3.841	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]O)	111.8470	0.000	1	111.8470	0.000	1	109.6567	3.841	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]C)	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	113.4300	0.000	1	113.4300	0.000	1	113.4300	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.3660	0.000	1	110.3660	0.000	1	111.3763	4.966	25	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	107.9430	0.000	1	107.9430	0.000	1	111.3763	4.966	25	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	111.2560	0.000	1	111.2560	0.000	1	111.3763	4.966	25	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.3686	0.659	5	109.3686	0.434	5	111.3763	4.966	25	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]O)	111.9061	2.027	15	111.9061	4.109	15	111.3763	4.966	25	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]O)	115.2380	0.000	1	115.2380	0.000	1	111.3763	4.966	25	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,6a]C[5]O)	114.1710	0.000	1	114.1710	0.000	1	111.3763	4.966	25	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2O)	111.5790	0.214	2	111.5790	0.046	2	111.1430	0.593	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2O)	110.2710	0.000	1	110.2710	0.000	1	111.1430	0.593	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:O-2:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<3>}	H(C[5]C[5]2O)	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O[5])	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5a]C[5]O[5])	108.8500	0.000	1	108.8500	0.000	1	108.7740	0.022	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	108.7360	0.187	2	108.7360	0.035	2	108.7740	0.022	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2{4|C<3>}	H(C[5]C[6a]C[5]O[5])	110.0120	0.000	1	110.0120	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2{6|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5220	0.000	1	109.5220	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2{1|O<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5510	0.000	1	108.5510	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8470	0.000	1	108.8470	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9850	0.000	1	108.9850	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7560	0.275	3	108.7648	0.125	6	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4730	0.000	1	108.7648	0.125	6	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9240	0.580	2	108.7648	0.125	6	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7500	0.000	1	108.7500	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.8470	0.000	1	109.8470	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9410	0.000	1	109.2640	0.173	3	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1170	0.000	1	109.2640	0.173	3	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7340	0.000	1	109.2640	0.173	3	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0135	0.118	2	108.9443	0.021	3	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8060	0.000	1	108.9443	0.021	3	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2550	0.000	2	109.3258	0.355	12	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5032	0.517	4	109.3258	0.355	12	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5315	0.330	2	109.3258	0.355	12	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1500	0.000	1	109.3258	0.355	12	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0580	1.124	3	109.3258	0.355	12	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{5|C<3>}	H(C[5]C[6a]C[5]O[5])	110.8200	0.000	1	110.8200	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2{2|C<3>,4|C<4>}	H(C[5]C[6a]C[5]O[5])	109.8930	0.130	2	109.8930	0.017	2	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7235	0.527	2	109.7235	0.278	2	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6770	0.000	1	108.6770	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9720	0.000	1	108.9720	0.000	1	109.2458	0.354	38	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<2>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	106.7030	0.000	1	107.9453	1.159	3	108.0480	0.815	4	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{3|C<3>}	H(C[5]C[6a]C[5]S[5])	108.5665	0.045	2	107.9453	1.159	3	108.0480	0.815	4	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	108.3560	0.000	1	108.3560	0.000	1	108.0480	0.815	4	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]C)	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2	H(C[5]N[5,6]C[5]O)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2{1|O<1>,2|C<3>}	H(C[5]N[5,6]C[5]O)	110.7620	0.000	1	110.7620	0.000	1	110.7620	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H){1|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	110.1610	0.044	2	110.1610	0.002	2	110.1610	0.002	2	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]O)	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	108.9755	0.285	8	108.9755	0.081	8	109.1041	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	109.9160	0.000	2	109.9160	0.000	2	109.1041	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	108.5090	0.000	1	108.5090	0.000	1	109.1041	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.5690	0.000	1	109.2622	0.054	5	109.2562	0.043	6	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.1990	0.000	1	109.2622	0.054	5	109.2562	0.043	6	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9390	0.000	1	109.2622	0.054	5	109.2562	0.043	6	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.3020	0.095	2	109.2622	0.054	5	109.2562	0.043	6	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.2260	0.000	1	109.2260	0.000	1	109.2562	0.043	6	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.4755	0.961	2	109.4755	0.923	2	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	108.9400	0.000	1	108.9400	0.000	1	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.4770	0.000	1	109.4770	0.000	1	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9640	0.846	2	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.5930	0.000	1	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.0878	0.478	9	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	113.9340	0.000	1	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.1688	0.374	15	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.4667	1.181	6	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.7452	0.678	12	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.7310	0.000	1	109.0479	0.966	47	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.2231	0.606	9	109.2152	0.327	10	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.1440	0.000	1	109.2152	0.327	10	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.2680	0.000	1	109.0853	0.026	3	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9940	0.033	2	109.0853	0.026	3	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.3678	0.708	4	109.4008	0.381	5	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.5330	0.000	1	109.4008	0.381	5	109.1164	0.750	69	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.3350	0.000	1	109.3350	0.000	1	109.2065	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.1280	0.000	1	109.1401	0.310	8	109.2065	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.5630	0.067	4	109.1401	0.310	8	109.2065	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.3035	0.203	2	109.1401	0.310	8	109.2065	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.1340	0.000	1	109.1401	0.310	8	109.2065	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[6a]C[5]O[5])	109.2290	0.000	1	109.2290	0.000	1	109.2065	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[6a]C[5]O[5])	109.5870	0.000	1	109.5870	0.000	1	109.2065	0.237	11	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	107.8930	0.000	1	107.8930	0.000	1	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	107.5440	0.000	1	107.9950	0.167	3	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.2205	0.169	2	107.9950	0.167	3	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	109.0400	0.528	2	109.0400	0.278	2	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2{2|C<3>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	109.5725	0.045	2	109.5725	0.002	2	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	109.8648	0.333	5	109.8648	0.111	5	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	115.2055	1.353	2	112.2810	12.014	4	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.3565	0.013	2	112.2810	12.014	4	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.1860	0.000	1	109.8832	1.000	56	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.5268	0.443	15	109.8832	1.000	56	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.8711	0.949	35	109.8832	1.000	56	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	112.7645	1.395	2	109.8832	1.000	56	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.8210	0.000	1	109.8832	1.000	56	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	110.2655	0.583	2	109.8832	1.000	56	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.8860	0.499	2	108.8860	0.249	2	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[6a]C[5]O[5])	109.4450	0.000	1	109.3163	0.053	3	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[6a]C[5]O[5])	109.2520	0.286	2	109.3163	0.053	3	109.8299	1.746	78	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2	H(C[5]N[6a]C[5]S[5])	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]S[5])	108.6670	0.000	2	108.6670	0.000	2	108.3217	0.358	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2	H(C[5]N[6a]C[5]S[5])	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2{2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]S[5])	107.6310	0.000	1	107.6310	0.000	1	108.3217	0.358	3	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]S[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]S[5])	115.8900	0.000	1	115.8900	0.000	1	115.8900	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]Se[5]C[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]Se[5]C[5])	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	H(C[5]N[6a]Se[5]C[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]Se[5]C[5])	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	109.6498	2.072	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,5a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	H(C[5]C[5,5a]C[5]N)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	H(C[5]C[5,5a]C[5]N)	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	108.7840	0.000	1	108.7840	0.000	1	109.1372	0.744	4	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.8270	0.320	2	109.8270	0.102	2	109.1372	0.744	4	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	108.1110	0.000	1	108.1110	0.000	1	109.1372	0.744	4	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H){1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.6870	0.000	1	109.6870	0.000	1	111.1495	4.278	2	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	112.6120	0.000	1	112.6120	0.000	1	111.1495	4.278	2	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5a]C[5]O[5])	108.9630	0.451	2	109.0040	0.107	3	108.6630	0.536	4	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5a]C[5]O[5])	109.0860	0.000	1	109.0040	0.107	3	108.6630	0.536	4	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5a]C[5]O[5])	107.6400	0.000	1	107.6400	0.000	1	108.6630	0.536	4	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[5]C[5a]C[5]O[5])	109.3325	0.241	6	109.1910	0.506	10	109.2401	0.482	11	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[5]C[5a]C[5]O[5])	109.6680	0.000	1	109.1910	0.506	10	109.2401	0.482	11	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[5]C[5a]C[5]O[5])	108.7490	1.291	3	109.1910	0.506	10	109.2401	0.482	11	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5a]C[5]O[5])	109.7310	0.000	1	109.7310	0.000	1	109.2401	0.482	11	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[6a]C[5]O[5])	108.4105	0.408	2	108.4105	0.166	2	108.4105	0.166	2	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4780	0.000	1	108.8240	0.239	2	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1700	0.000	1	108.8240	0.239	2	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.4440	0.000	1	109.4440	0.000	1	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2270	0.000	1	109.2320	0.087	3	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5290	0.000	1	109.2320	0.087	3	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	108.9400	0.000	1	109.2320	0.087	3	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1770	0.000	1	109.1770	0.000	1	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1285	0.153	2	109.1285	0.024	2	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8290	0.000	1	108.7350	0.018	2	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6410	0.000	1	108.7350	0.018	2	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	110.6417	1.420	3	108.3534	4.427	11	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.2950	0.000	1	108.3534	4.427	11	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	107.3810	1.728	7	108.3534	4.427	11	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6625	0.436	4	108.6625	0.190	4	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[6a]C[5]O[5])	108.9013	1.072	4	108.9013	1.149	4	108.7278	1.801	30	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5520	0.000	1	108.5520	0.000	1	108.8245	0.149	2	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0970	0.000	1	109.0970	0.000	1	108.8245	0.149	2	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:N[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(SC[6a]OO)(N[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(SC[6a]OO)(N[5]C[5])(H){1|S<2>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]C)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H)	H(C[5]N[5,6]C[5]S[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]S[5])	108.2240	0.634	2	108.2240	0.401	2	108.2240	0.401	2	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.4115	0.194	2	110.4115	0.038	2	110.4115	0.038	2	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	109.8060	0.016	3	110.1409	4.796	16	110.1409	4.796	16	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	109.7490	0.000	1	110.1409	4.796	16	110.1409	4.796	16	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	109.2770	0.000	1	110.1409	4.796	16	110.1409	4.796	16	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	110.7485	2.973	8	110.1409	4.796	16	110.1409	4.796	16	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	110.0050	0.653	2	110.1409	4.796	16	110.1409	4.796	16	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[5]O[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]O[5])	107.8130	0.000	1	110.1409	4.796	16	110.1409	4.796	16	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H){3|H<1>,4|C<3>}	H(C[5]N[5a]C[5]O[5])	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.8715	0.182	2	108.8715	0.033	2	108.8434	0.346	5	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.7490	0.000	1	109.7490	0.000	1	108.8434	0.346	5	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.3625	0.261	2	108.3625	0.068	2	108.8434	0.346	5	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	110.1360	0.000	1	109.8955	0.457	6	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	110.3503	0.303	3	109.8955	0.457	6	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	109.0930	0.366	2	109.8955	0.457	6	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	108.8720	0.000	1	108.8720	0.000	1	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H){1|H<1>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	105.2190	0.000	1	105.2190	0.000	1	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.8930	0.000	1	109.8930	0.000	1	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.2632	0.399	5	109.2632	0.159	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.4630	0.000	1	109.2225	0.338	13	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.3544	0.798	5	109.2225	0.338	13	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.3580	0.192	2	109.2225	0.338	13	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.2497	0.198	3	109.2225	0.338	13	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.5240	0.000	1	109.2225	0.338	13	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.6690	0.000	1	109.2225	0.338	13	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.8220	0.000	1	109.8220	0.000	1	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.3480	0.000	1	109.3534	0.087	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9680	0.000	1	109.3534	0.087	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	109.4837	0.271	3	109.3534	0.087	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	108.8773	0.217	4	108.9182	0.044	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.0820	0.000	1	108.9182	0.044	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9390	0.000	1	108.9390	0.000	1	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.6740	0.000	1	109.8587	0.058	3	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	110.1310	0.000	1	109.8587	0.058	3	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.7710	0.000	1	109.8587	0.058	3	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.7557	1.205	3	109.6916	0.763	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5a]C[5]O[5])	109.5955	0.346	2	109.6916	0.763	5	109.3132	0.715	47	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]N[6]O[5])	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.1100	0.018	2	109.1100	0.000	2	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.1120	0.000	1	108.6455	0.322	4	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.3690	0.767	2	108.6455	0.322	4	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.7320	0.000	1	108.6455	0.322	4	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.4320	0.000	1	109.4320	0.000	1	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.8170	0.259	2	108.8170	0.067	2	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.5715	0.530	6	109.5715	0.281	6	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.8525	0.247	2	109.6831	0.124	10	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.5867	0.370	7	109.6831	0.124	10	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	110.0190	0.000	1	109.6831	0.124	10	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.7350	0.000	1	109.7350	0.000	1	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	110.5833	2.190	3	109.8383	3.808	12	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	112.3760	0.000	1	109.8383	3.808	12	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	110.4125	1.195	4	109.8383	3.808	12	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	106.3130	0.000	1	109.8383	3.808	12	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	107.9420	0.000	1	109.8383	3.808	12	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.2370	0.000	1	109.8383	3.808	12	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	H(C[5]N[6a]C[5]O[5])	109.7910	0.000	1	109.8383	3.808	12	109.5243	1.389	38	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	H(C[5]N[6a]C[5]S[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]S[5])	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	109.3355	1.595	172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9570	0.000	1	108.6137	0.089	3	108.6137	0.089	3	108.6137	0.089	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4420	0.038	2	108.6137	0.089	3	108.6137	0.089	3	108.6137	0.089	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:2:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O[5])	110.0060	0.000	1	109.8410	0.054	2	109.8410	0.054	2	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|O<1>,2|H<1>,8|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O[5])	109.6760	0.000	1	109.8410	0.054	2	109.8410	0.054	2	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]N)	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	108.5930	0.000	1	108.5930	0.000	1	108.5930	0.000	1	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.5060	0.000	1	109.5060	0.000	1	109.7700	0.097	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.9020	0.300	2	109.9020	0.090	2	109.7700	0.097	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.3930	1.035	2	110.3930	1.072	2	110.3930	1.072	2	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]S)	107.7997	0.247	3	107.7997	0.061	3	107.7997	0.061	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H){1|S<2>,4|C<3>}	H(C[5]C[5a]C[5]O[5])	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){1|B<3>,3|C<3>,4|H<1>}	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,2|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	104.2980	0.000	1	104.2980	0.000	1	106.5670	3.965	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0240	0.000	1	107.7015	0.208	2	106.5670	3.965	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.3790	0.000	1	107.7015	0.208	2	106.5670	3.965	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H){6|C<3>}	H(C[5]C[6a]C[5]O[5])	108.1420	0.000	1	108.1420	0.000	1	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4226	0.831	5	108.4226	0.691	5	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.1815	0.064	2	108.6710	0.425	4	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1605	0.558	2	108.6710	0.425	4	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5690	0.000	1	108.5690	0.000	1	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5340	0.000	1	108.5340	0.000	1	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.1180	0.000	1	108.1180	0.000	1	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	104.2800	0.000	1	104.2800	0.000	1	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]ReH)(CCO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]ReH)(CCO)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.1850	0.000	1	108.1850	0.000	1	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H){5|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2280	0.000	1	109.2280	0.000	1	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6065	0.180	2	109.7373	0.068	3	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.9990	0.000	1	109.7373	0.068	3	108.4771	1.535	19	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0580	0.000	1	109.0580	0.000	1	109.4557	0.264	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H){5|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2730	0.000	1	109.2730	0.000	1	109.4557	0.264	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	110.0360	0.000	1	110.0360	0.000	1	109.4557	0.264	3	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	108.8550	0.000	1	108.8550	0.000	1	108.7555	0.147	4	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	108.3470	0.000	1	108.7935	0.399	2	108.7555	0.147	4	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){3|C<3>}	H(C[5]C[6a]C[5]S[5])	109.2400	0.000	1	108.7935	0.399	2	108.7555	0.147	4	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	108.5800	0.000	1	108.5800	0.000	1	108.7555	0.147	4	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]O[5])	109.1865	0.370	2	109.1865	0.137	2	109.1865	0.137	2	108.7570	1.650	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi){1|C<3>,1|N<2>,1|S<2>}	H(C[5]C[5a]C[5]N[5])	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.7600	0.090	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.7600	0.090	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3440	0.952	2	108.1612	0.275	5	107.9513	0.366	9	108.2039	0.246	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.0393	0.201	3	108.1612	0.275	5	107.9513	0.366	9	108.2039	0.246	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	106.8610	0.000	1	107.6890	0.445	4	107.9513	0.366	9	108.2039	0.246	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4840	0.000	1	107.6890	0.445	4	107.9513	0.366	9	108.2039	0.246	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	107.7055	0.132	2	107.6890	0.445	4	107.9513	0.366	9	108.2039	0.246	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7630	0.000	1	108.7630	0.000	1	108.3376	0.146	17	108.2039	0.246	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3111	0.378	16	108.3111	0.143	16	108.3376	0.146	17	108.2039	0.246	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:4:	4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]O[5])	109.1070	0.000	2	109.1070	0.000	2	109.1070	0.000	2	109.8940	1.858	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	109.8940	1.858	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.6920	0.000	1	109.6920	0.000	1	109.7593	0.468	7	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.7540	0.000	1	110.7540	0.000	1	109.7593	0.468	7	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.2045	0.078	2	110.2045	0.006	2	109.7593	0.468	7	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.4830	0.000	1	109.4830	0.000	1	109.7593	0.468	7	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	108.9885	0.387	2	108.9885	0.150	2	109.7593	0.468	7	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]O)	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	H(C[5]C[5,6a]C[5]O)	107.8400	0.341	2	107.8400	0.116	2	107.8400	0.116	2	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O[5])	108.0648	0.156	5	108.0648	0.024	5	108.0648	0.024	5	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H){1|O<1>,2|C<3>}	H(C[5]C[5a]C[5]O[5])	109.7840	0.000	1	109.7840	0.000	1	109.2335	0.606	2	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5a]C[5]O[5])	108.6830	0.000	1	108.6830	0.000	1	109.2335	0.606	2	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0630	0.000	1	109.0630	0.000	1	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	110.8405	0.062	2	110.8405	0.004	2	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2803	0.425	3	108.4626	1.775	16	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0855	0.250	2	108.4626	1.775	16	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7990	0.313	3	108.4626	1.775	16	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	107.8740	1.695	8	108.4626	1.775	16	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1290	0.000	1	109.1290	0.000	1	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.1340	0.000	1	108.1340	0.000	1	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6720	0.000	1	108.4480	0.038	3	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3360	0.000	2	108.4480	0.038	3	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3380	0.000	1	108.3380	0.000	1	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.4070	0.000	1	109.5045	0.019	2	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6020	0.000	1	109.5045	0.019	2	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	108.2650	0.000	1	108.2650	0.000	1	108.7273	1.452	28	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.1570	0.000	1	107.1570	0.000	1	108.0410	1.563	2	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9250	0.000	1	108.9250	0.000	1	108.0410	1.563	2	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7053	1.245	3	108.7053	1.550	3	108.7053	1.550	3	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3060	0.817	2	108.3060	0.668	2	108.3060	0.668	2	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H)	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H)	H(C[5]C[6a]Se[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H){1|Se<1>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H){1|Se<1>,3|C<3>}	H(C[5]C[6a]Se[5]C[5])	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:1:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	108.7626	1.123	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:2:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]O)	111.9620	0.000	1	111.9620	0.000	1	112.1265	0.054	2	109.4567	3.185	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:2:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]O)	112.2910	0.000	1	112.2910	0.000	1	112.1265	0.054	2	109.4567	3.185	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:2:	4:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]N[5a]Se[5]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]Se[5]C[5])	108.4705	0.070	2	108.4705	0.005	2	108.4705	0.005	2	109.4567	3.185	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:2:	4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]N[6a]C[5]O[5])	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.0633	0.629	3	109.0633	0.396	3	109.0633	0.396	3	109.4567	3.185	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:2:	4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]N[6a]Se[5]C[5])	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]Se[5]C[5])	107.2700	0.000	1	107.2700	0.000	1	107.2700	0.000	1	109.4567	3.185	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5095	0.187	4	108.4694	0.034	5	108.4694	0.034	5	108.4694	0.034	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3090	0.000	1	108.4694	0.034	5	108.4694	0.034	5	108.4694	0.034	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.0447	0.292	6	109.6123	2.326	7	109.7295	1.655	10	109.3972	1.746	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	H(C[5]C[5,6a]C[5]O)	113.0180	0.000	1	109.6123	2.326	7	109.7295	1.655	10	109.3972	1.746	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]O)	110.0770	0.000	1	110.0770	0.000	1	109.7295	1.655	10	109.3972	1.746	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.9660	0.778	2	109.9660	0.605	2	109.7295	1.655	10	109.3972	1.746	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2{2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	109.3972	1.746	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:2:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2	H(C[5]C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]O)	108.7500	0.061	2	108.7500	0.004	2	108.7500	0.004	2	109.3972	1.746	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	B[5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2	H(C[5]B[5]C[5]C)	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]B[5]C[5]C)	106.4380	0.000	1	106.4380	0.000	1	106.4380	0.000	1	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]3)	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	110.3440	3.111	2	110.3440	9.680	2	110.3440	9.680	2	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	107.2910	0.689	2	107.7940	0.996	3	107.7940	0.996	3	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	108.8000	0.000	1	107.7940	0.996	3	107.7940	0.996	3	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	N[5,5a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]C)	109.9815	0.055	4	109.9815	0.003	4	109.9815	0.003	4	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	109.6880	0.000	1	109.6880	0.000	1	109.6880	0.000	1	108.8597	2.630	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:2:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	106.7583	13.872	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:2:1:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]N[5])	102.7510	0.000	1	102.7510	0.000	1	102.7510	0.000	1	106.7583	13.872	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	106.7583	13.872	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H){1|Ga<4>,1|H<1>,1|N<3>,2|I<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H){1|Ga<4>,1|H<1>,1|N<3>,2|I<1>,6|C<3>}	H(C[5]C[5,6]C[5]N[5])	107.1380	0.000	1	107.1380	0.000	1	106.1732	5.916	4	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H){1|Si<5>,3|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H){1|Si<5>,3|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5,6]C[5]N[5])	104.4505	2.174	2	104.4505	4.728	2	106.1732	5.916	4	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H)	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H){1|Ga<4>,1|C<4>,1|H<1>,1|N<3>,2|I<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H){1|Ga<4>,1|C<4>,1|H<1>,1|N<3>,2|I<1>,3|C<3>}	H(C[5]C[5,6]C[5]N[5])	108.6540	0.000	1	108.6540	0.000	1	106.1732	5.916	4	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]C)	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]C)	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	106.5535	0.209	2	106.5535	0.044	2	107.0838	2.168	6	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	108.9140	0.000	1	108.4385	0.452	2	107.0838	2.168	6	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	107.9630	0.000	1	108.4385	0.452	2	107.0838	2.168	6	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	106.2595	2.180	2	106.2595	4.752	2	107.0838	2.168	6	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.6650	0.000	1	109.0910	0.271	3	109.0910	0.271	3	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6490	0.000	1	109.0910	0.271	3	109.0910	0.271	3	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.9590	0.000	1	109.0910	0.271	3	109.0910	0.271	3	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]N[5])	108.8230	1.496	3	108.8230	2.239	3	108.8230	2.239	3	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5a]C[5]2)	108.4520	0.000	1	108.4520	0.000	1	108.3795	0.011	2	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]2)	108.3070	0.000	1	108.3070	0.000	1	108.3795	0.011	2	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5470	0.000	1	108.6890	0.016	3	108.6890	0.016	3	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7320	0.000	1	108.6890	0.016	3	108.6890	0.016	3	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7880	0.000	1	108.6890	0.016	3	108.6890	0.016	3	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4350	0.000	1	108.4350	0.000	1	109.0730	0.814	2	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7110	0.000	1	109.7110	0.000	1	109.0730	0.814	2	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	N[5]-3:C[5]-4:N-3:H-1:	N[5]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H)	H(C[5]C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]N)	109.0525	0.398	2	109.0525	0.158	2	109.5443	1.046	4	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:1:	4:	N[5]-3:C[5]-4:N-3:H-1:	N[5]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H)	H(C[5]C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]N)	110.0360	1.418	2	110.0360	2.012	2	109.5443	1.046	4	108.5135	4.197	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:2:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	108.0333	1.426	3	107.6682	1.271	5	107.6682	1.271	5	107.2343	2.147	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:2:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	107.0240	0.000	1	107.6682	1.271	5	107.6682	1.271	5	107.2343	2.147	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:2:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	107.2170	0.000	1	107.6682	1.271	5	107.6682	1.271	5	107.2343	2.147	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	H(C[5]C[5a]C[5]N[5])	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	107.2343	2.147	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:4:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,7|C<3>}	H(C[5]C[5a]C[5]2)	108.0090	0.075	2	108.0090	0.006	2	108.0090	0.006	2	108.9206	1.997	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H){1|H<1>,1|S<4>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.9370	0.000	1	108.9370	0.000	1	108.6150	0.207	2	108.9206	1.997	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H){1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H){1|H<1>,1|S<4>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.2930	0.000	1	108.2930	0.000	1	108.6150	0.207	2	108.9206	1.997	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:P-4:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H){3|C<3>}	H(C[5]C[5]N[5]C)	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	108.9206	1.997	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	3:4:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	H(C[5]C[5]N[5]C)	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	H(C[5]C[5a]C[5]2)	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5a]C[5]N[5])	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:F-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1050	0.929	2	109.1050	0.863	2	109.1050	0.863	2	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.8030	0.000	1	109.7680	0.081	3	109.7680	0.081	3	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	110.0330	0.000	1	109.7680	0.081	3	109.7680	0.081	3	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	109.4680	0.000	1	109.7680	0.081	3	109.7680	0.081	3	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	112.5055	2.862	4	112.5055	8.190	4	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3000	0.000	1	109.5883	0.115	3	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7325	0.326	2	109.5883	0.115	3	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1993	0.331	4	109.7494	0.435	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7000	0.000	1	109.7494	0.435	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6670	0.000	1	109.7494	0.435	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2700	2.063	2	109.7494	0.435	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9602	0.399	27	109.7494	0.435	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7200	0.000	1	109.7494	0.435	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3770	0.000	1	109.7494	0.435	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Co<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3370	0.245	2	108.3370	0.060	2	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<2>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2535	0.513	2	108.8338	1.175	5	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5540	1.387	3	108.8338	1.175	5	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4010	0.472	2	108.8990	0.460	50	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<5>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2795	0.441	6	108.8990	0.460	50	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<6>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8207	0.694	42	108.8990	0.460	50	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8080	0.000	1	109.1285	0.357	4	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5650	0.000	1	109.1285	0.357	4	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5705	0.511	2	109.1285	0.357	4	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<3>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0625	0.202	2	109.8320	0.280	16	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6589	0.537	8	109.8320	0.280	16	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9860	0.575	6	109.8320	0.280	16	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3018	0.541	13	109.8725	0.487	25	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4075	0.538	12	109.8725	0.487	25	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pt<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.6580	0.000	1	110.6580	0.000	1	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Rh<6>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1133	0.549	3	110.1133	0.302	3	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0453	0.877	3	109.9207	0.275	9	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<6>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8583	0.344	6	109.9207	0.275	9	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,1|S<3>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8720	0.000	1	113.2355	22.626	2	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|Sn<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	116.5990	0.000	1	113.2355	22.626	2	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2120	0.267	2	109.2120	0.071	2	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0720	0.000	1	109.2538	0.309	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9592	0.563	4	109.2538	0.309	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2650	0.544	32	109.2538	0.309	37	109.5176	1.120	200	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4750	0.000	1	109.4750	0.000	1	108.9335	0.182	4	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0750	0.000	1	109.0750	0.000	1	108.9335	0.182	4	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5920	0.020	2	108.5920	0.000	2	108.9335	0.182	4	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]C)	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H)	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]C)	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]N[5,6]C[5]C)	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	109.5842	0.529	4	109.5842	0.280	4	109.5842	0.280	4	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]C)	109.8232	0.901	6	109.8232	0.811	6	109.8232	0.811	6	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:1:1:	4:	N[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[6a]C[5]2)	109.9330	0.259	2	109.9330	0.067	2	109.9330	0.067	2	109.5288	1.042	228	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:2:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3442	0.317	5	109.3442	0.101	5	109.3442	0.101	5	109.3442	0.101	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.4210	0.000	1	109.4210	0.000	1	109.3687	0.033	7	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.3287	0.285	3	109.3287	0.081	3	109.3687	0.033	7	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.3980	0.000	1	109.3980	0.000	1	109.3687	0.033	7	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.3880	0.163	2	109.3880	0.026	2	109.3687	0.033	7	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>}	H(C[5]C[5]2C)	113.0575	1.023	2	113.0575	1.047	2	113.0575	1.047	2	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	H(C[5]C[5a]C[5]2)	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2000	0.000	1	109.8342	0.206	8	109.5591	0.687	12	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.9249	0.404	7	109.8342	0.206	8	109.5591	0.687	12	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.7630	0.000	1	109.7630	0.000	1	109.5591	0.687	12	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.6140	0.000	1	109.6140	0.000	1	109.5591	0.687	12	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.2240	0.000	1	107.2240	0.000	1	109.5591	0.687	12	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.4340	0.000	1	109.4340	0.000	1	109.5591	0.687	12	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H){1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.5746	0.427	8	108.5746	0.182	8	108.5746	0.182	8	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H){1|S<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5530	0.000	1	110.5530	0.000	1	109.6722	0.315	8	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0040	0.000	1	110.0040	0.000	1	109.6722	0.315	8	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0770	0.000	1	110.0770	0.000	1	109.6722	0.315	8	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5980	0.153	2	109.5980	0.023	2	109.6722	0.315	8	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9275	0.118	2	108.9275	0.014	2	109.6722	0.315	8	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[6a]C[5]N[5])	109.6930	0.000	1	109.6930	0.000	1	109.6722	0.315	8	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H){2|N<3>}	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H){1|C<4>,2|N<3>}	H(C[5]C[5]N[5]C)	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	109.5541	1.121	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:3:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(NC[6a]H)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(NC[6a]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	108.7388	1.203	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H){2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.3975	0.306	2	107.3975	0.094	2	108.0190	1.206	3	108.7388	1.203	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.2620	0.000	1	109.2620	0.000	1	108.0190	1.206	3	108.7388	1.203	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH){1|Br<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	108.7388	1.203	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:3:3:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	108.7388	1.203	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H){1|C<3>}	H(C[5]C[5]2C)	112.7620	0.850	2	112.7620	0.722	2	112.7620	0.722	2	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5230	0.000	1	109.5230	0.000	1	109.5350	0.000	3	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5410	0.011	2	109.5410	0.000	2	109.5350	0.000	3	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9157	0.123	3	108.9157	0.015	3	108.4702	1.466	5	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[6a]C[5]N[5])	107.8020	2.085	2	107.8020	4.345	2	108.4702	1.466	5	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H)	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,3|C<4>}	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H){1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]C)	109.3920	0.000	1	109.3920	0.000	1	109.2435	0.044	2	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]C)	109.0950	0.000	1	109.0950	0.000	1	109.2435	0.044	2	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	109.9075	0.161	2	109.9075	0.026	2	109.9075	0.026	2	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H)	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H){2|C<3>}	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H){1|C<3>}	H(C[5]C[5]N[5]C)	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	109.7849	2.764	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.7420	0.000	1	108.7420	0.000	1	108.3620	0.289	2	108.2340	0.194	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.9820	0.000	1	107.9820	0.000	1	108.3620	0.289	2	108.2340	0.194	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO){1|S<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	108.2340	0.194	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:4:	4:	C[5,6]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2{2|C<3>}	H(C[5]C[5,6]C[5]N)	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	109.7459	1.443	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.8420	0.287	2	110.8420	0.082	2	110.8420	0.082	2	109.7459	1.443	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9450	0.429	3	108.8698	0.145	4	108.8698	0.145	4	109.7459	1.443	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|S<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6440	0.000	1	108.8698	0.145	4	108.8698	0.145	4	109.7459	1.443	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:4:	4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3)	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[4,5]C[5]C)	109.0280	0.000	1	109.0280	0.000	1	108.9896	0.274	5	109.7459	1.443	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:4:	4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[4,5]C[5]C)	108.9800	0.604	4	108.9800	0.365	4	108.9896	0.274	5	109.7459	1.443	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:2:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]CC)(COO)(H)	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]N[5]CC)(COO)(H){2|C<3>}	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3){1|C<3>}	H(C[5]C[5]N[5]C)	111.4990	0.382	2	111.4990	0.146	2	111.4990	0.146	2	109.7459	1.443	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.3260	2.496	2	109.3260	6.230	2	109.3260	6.230	2	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]2)	108.5920	0.000	1	108.5920	0.000	1	107.0860	4.536	2	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5a]C[5]2)	105.5800	0.000	1	105.5800	0.000	1	107.0860	4.536	2	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.0500	0.000	1	110.0500	0.000	1	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5a]C[5]N[5])	109.6170	0.239	2	109.8240	0.157	3	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.2380	0.000	1	109.8240	0.157	3	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	108.9310	0.000	1	108.9310	0.000	1	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,1|S<2>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	110.3400	0.000	1	111.3895	2.203	2	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{2|O<2>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	112.4390	0.000	1	111.3895	2.203	2	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	110.0740	0.918	2	110.0740	0.842	2	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	109.9420	0.000	1	109.9420	0.000	1	110.1322	0.922	10	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.9090	0.000	1	108.9090	0.000	1	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.7770	0.000	1	108.8074	0.374	7	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1405	0.022	2	108.8074	0.374	7	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.3020	0.267	2	108.8074	0.374	7	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	108.2600	0.000	1	108.8074	0.374	7	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{5|C<3>}	H(C[5]C[6a]C[5]2)	107.7300	0.000	1	108.8074	0.374	7	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.2310	0.000	1	109.2310	0.000	1	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|S<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.5340	0.000	2	109.5340	0.000	2	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.7670	0.000	1	107.7670	0.000	1	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.3445	0.486	2	108.4185	1.871	11	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.9430	0.000	1	108.4185	1.871	11	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	106.6330	0.000	1	108.4185	1.871	11	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.8830	1.687	5	108.4185	1.871	11	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.9620	0.231	2	108.4185	1.871	11	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.7110	0.000	1	109.7110	0.000	1	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.6620	0.000	1	108.6620	0.000	1	108.7042	1.063	25	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.7250	0.000	1	108.7250	0.000	1	108.7415	0.355	4	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.1870	0.000	1	108.3345	0.044	2	108.7415	0.355	4	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.4820	0.000	1	108.3345	0.044	2	108.7415	0.355	4	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|N<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.5720	0.000	1	109.5720	0.000	1	108.7415	0.355	4	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.2409	2.587	7	107.2409	6.694	7	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8533	0.380	7	109.8533	0.144	7	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7595	0.272	2	109.7595	0.074	2	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7360	0.000	2	109.7360	0.000	2	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9590	0.000	1	109.9590	0.000	1	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2{1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5450	0.000	1	109.5450	0.000	1	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2{1|S<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6910	0.000	1	109.6910	0.000	1	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7010	0.000	1	110.6713	1.278	4	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3415	0.142	2	110.6713	1.278	4	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|S<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	112.3010	0.000	1	110.6713	1.278	4	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5855	0.339	2	110.1161	0.645	60	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|Cl<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6660	0.000	1	110.1161	0.645	60	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7250	0.000	1	110.1161	0.645	60	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4822	0.375	4	110.1161	0.645	60	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1245	0.798	52	110.1161	0.645	60	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8840	0.000	1	111.0588	1.854	9	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9027	0.733	3	111.0588	1.854	9	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	112.2530	0.000	1	111.0588	1.854	9	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1980	0.000	1	111.0588	1.854	9	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	112.4953	0.060	3	111.0588	1.854	9	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5550	0.000	1	109.6565	0.021	2	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7580	0.000	1	109.6565	0.021	2	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9713	0.368	3	108.9713	0.136	3	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1900	0.000	1	109.1900	0.000	1	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2{1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4375	0.006	2	109.4375	0.000	2	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1860	0.000	1	110.1860	0.000	1	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4230	0.000	1	110.4230	0.000	1	109.9224	1.642	104	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4165	0.921	2	109.3577	1.465	4	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2990	0.052	2	109.3577	1.465	4	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2910	0.000	1	109.2910	0.000	1	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6180	0.151	2	109.6180	0.023	2	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pd<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4190	0.000	1	110.4190	0.000	1	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4338	0.245	4	109.4338	0.060	4	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pt<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1020	0.000	1	110.1020	0.000	1	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5470	0.000	1	109.5470	0.000	1	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[6a]C[5]N[5])	109.4700	0.000	1	109.4700	0.000	1	109.5487	0.424	15	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H){1|H<1>,3|C<3>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]C)	117.3000	0.000	1	117.3000	0.000	1	113.0470	13.599	3	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H){4|C<3>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]C)	110.7400	0.000	1	110.7400	0.000	1	113.0470	13.599	3	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H){1|S<4>,3|C<3>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2{2|C<3>}	H(C[5]N[5,6]C[5]C)	111.1010	0.000	1	111.1010	0.000	1	113.0470	13.599	3	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a]O)(H)2	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){2|C<3>,2|O<1>}	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]C)	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H){3|C<3>}	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	115.5633	0.962	3	115.5633	0.925	3	113.0360	8.102	6	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]N[5]CH)(C[5]N[5]Br)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|Br<1>,1|C<3>,1|N<2>}	C[5](C[5]N[5]CH)(C[5]N[5]Br)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	110.7075	0.309	2	110.7075	0.095	2	113.0360	8.102	6	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	110.1110	0.000	1	110.1110	0.000	1	113.0360	8.102	6	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|H<1>,5|C<3>}	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]N[5a]C[5]N[5])	109.0870	0.000	1	108.9897	0.007	3	108.9897	0.007	3	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:1:1:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]N[5a]C[5]N[5])	108.9410	0.020	2	108.9897	0.007	3	108.9897	0.007	3	109.7938	2.537	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.6900	0.000	2	109.6900	0.000	2	109.6900	0.000	2	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H){5|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	110.7940	0.000	1	110.7940	0.000	1	109.8824	0.633	7	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7305	0.752	6	109.7305	0.566	6	109.8824	0.633	7	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.9920	0.273	4	107.4498	1.104	5	107.4498	1.104	5	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2810	0.000	1	107.4498	1.104	5	107.4498	1.104	5	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	110.0080	0.000	1	110.0080	0.000	1	110.0080	0.000	1	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.5245	0.952	2	108.2587	0.666	3	108.2587	0.666	3	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:1:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	107.7270	0.000	1	108.2587	0.666	3	108.2587	0.666	3	108.9384	1.701	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:2:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:3:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(NHP)(H)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(NHP)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]N)	111.7110	0.000	1	111.7110	0.000	1	111.7110	0.000	1	111.7110	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	106.8300	0.000	1	106.8300	0.000	1	106.8300	0.000	1	107.6365	1.301	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:2:4:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	107.6365	1.301	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:B[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H){1|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]C)	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7800	0.000	1	109.7800	0.000	1	109.5883	1.018	7	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	108.8017	0.867	3	108.9670	0.610	4	109.5883	1.018	7	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.4630	0.000	1	108.9670	0.610	4	109.5883	1.018	7	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	110.7350	0.262	2	110.7350	0.068	2	109.5883	1.018	7	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H){1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,6a]C[5]2)	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-3:Cl-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.5580	0.000	1	107.9035	0.239	2	107.9035	0.239	2	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.2490	0.000	1	107.9035	0.239	2	107.9035	0.239	2	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2N)	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]C)(CC[6a]O)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]C)(CC[6a]O)(H){3|C<3>}	H(C[5]C[5a]C[5]2)	111.8190	0.139	2	111.8190	0.019	2	111.8190	0.019	2	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H){2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]2)	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.8940	0.000	1	108.8940	0.000	1	109.0010	0.023	2	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H){1|N<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1080	0.000	1	109.1080	0.000	1	109.0010	0.023	2	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.8780	0.000	1	108.8780	0.000	1	109.0835	0.706	6	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.6120	0.000	1	108.6120	0.000	1	109.0835	0.706	6	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){6|C<3>}	H(C[5]C[6a]C[5]2)	110.0900	0.000	1	110.0900	0.000	1	109.0835	0.706	6	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.3730	0.228	2	108.3730	0.052	2	109.0835	0.706	6	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]2)	110.1750	0.000	1	110.1750	0.000	1	109.0835	0.706	6	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4760	0.000	1	108.4760	0.000	1	109.2250	0.513	6	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3748	0.688	5	109.3748	0.473	5	109.2250	0.513	6	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9770	0.000	1	108.9770	0.000	1	109.2800	0.184	2	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5830	0.000	1	109.5830	0.000	1	109.2800	0.184	2	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[4,5]C[5]C)	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:1:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	109.2823	1.497	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(NCH)(H)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a])	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(NCH)(H){1|Cl<1>,6|C<3>}	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]N)	110.8280	2.506	2	110.8280	6.280	2	110.8280	6.280	2	110.1680	4.447	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:2:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN){1|C<4>,1|S<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	110.1680	4.447	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:3:	4:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	105.9600	0.000	1	105.9600	0.000	1	105.9600	0.000	1	108.3716	2.668	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:3:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){6|C<3>,6|H<1>}	H(C[5]C[5a]C[5]2)	109.8350	0.081	2	109.8350	0.006	2	109.8350	0.006	2	108.3716	2.668	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)2{1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.5800	0.000	1	108.5800	0.000	1	108.1140	0.434	2	108.3716	2.668	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:3:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(COO)2{1|F<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.6480	0.000	1	107.6480	0.000	1	108.1140	0.434	2	108.3716	2.668	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H)	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H)	H(C[5]C[5,6a]B[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H){2|C<3>,2|O<2>}	H(C[5]C[5,6a]B[5]C[5])	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.7690	0.000	1	110.7690	0.000	1	110.4800	0.167	2	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.1910	0.000	1	110.1910	0.000	1	110.4800	0.167	2	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.3250	0.386	2	109.3250	0.149	2	109.3250	0.149	2	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.5540	0.000	1	109.5540	0.000	1	110.1775	0.778	2	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H){1|Br<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	110.8010	0.000	1	110.8010	0.000	1	110.1775	0.778	2	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N)	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.0340	0.000	1	109.0340	0.000	1	108.9678	0.685	6	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.8975	1.217	2	108.8975	1.481	2	108.9678	0.685	6	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]2)	110.1240	0.000	1	110.1240	0.000	1	108.9678	0.685	6	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.4270	0.078	2	108.4270	0.006	2	108.9678	0.685	6	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H){5|C<3>}	H(C[5]C[6a]C[5]2)	111.5510	0.000	1	111.5510	0.000	1	110.8435	1.001	2	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H){3|C<3>}	H(C[5]C[6a]C[5]2)	110.1360	0.000	1	110.1360	0.000	1	110.8435	1.001	2	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1766	0.647	5	109.1766	0.419	5	108.7700	0.568	8	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[6a]C[5]N[5])	107.9845	0.156	2	107.9845	0.024	2	108.7700	0.568	8	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H){1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[6a]C[5]N[5])	108.3080	0.000	1	108.3080	0.000	1	108.7700	0.568	8	109.3282	1.316	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH){1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	109.2573	0.172	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.2573	0.172	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	109.2573	0.172	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2320	0.000	2	109.2320	0.000	2	108.8150	0.522	3	108.5931	0.849	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.9810	0.000	1	107.9810	0.000	1	108.8150	0.522	3	108.5931	0.849	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO){4|C<3>}	H(C[5]C[6a]C[5]2)	109.2670	0.000	1	109.2670	0.000	1	107.6047	2.645	3	108.5931	0.849	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCHH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.0170	0.000	1	106.0170	0.000	1	107.6047	2.645	3	108.5931	0.849	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO){6|C<3>}	H(C[5]C[6a]C[5]2)	107.5300	0.000	1	107.5300	0.000	1	107.6047	2.645	3	108.5931	0.849	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CSnHH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CSnHH)(COO){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1410	0.631	2	109.1410	0.398	2	109.1410	0.398	2	108.5931	0.849	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7938	0.278	6	108.7938	0.077	6	108.7938	0.077	6	108.5931	0.849	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	H(C[5]C[6a]C[5]2)	109.8180	0.069	2	109.8180	0.005	2	109.8180	0.005	2	109.0399	0.353	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:3:4:4:	4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-3:C-4:C-4:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	C[5](C[5]N[4,5]CH)(S[5]C[4,5]O)(CH3)2	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,2|O<1>}	C[5](C[5]N[4,5]CH)(S[5]C[4,5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[4,5]C[5]C)	108.7286	0.323	5	108.7286	0.104	5	108.7286	0.104	5	109.0399	0.353	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	B[5]-3:C[5]-4:B-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5])(C[5]C[5]HH)(BC[6a]2)(H)	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2	H(C[5]B[5]C[5]B)	C[5](B[5]C[6a]C[5])(C[5]C[5]HH)(BC[6a]2)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]B[5]C[5]B)	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2	H(C[5]C[5,5a]C[5]N)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5,5a]C[5]N)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(COS)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(COS)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]C)	110.9100	0.206	2	110.9100	0.043	2	110.9100	0.043	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:P-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H)	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]P)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]P)	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	H(C[5]C[5,6a]B[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2{2|O<2>,4|C<3>}	H(C[5]C[5,6a]B[5]C[5])	109.1165	0.412	2	109.1165	0.170	2	109.1165	0.170	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]C)	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2{6|C<3>}	H(C[5]C[5,6a]C[5]C)	111.7810	0.000	1	111.7810	0.000	1	111.0765	0.993	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.3720	0.000	1	110.3720	0.000	1	111.0765	0.993	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H){4|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8190	0.000	1	108.8190	0.000	1	109.1753	1.595	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.5780	0.000	1	110.5780	0.000	1	109.1753	1.595	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2{2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.1290	0.000	1	108.1290	0.000	1	109.1753	1.595	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	107.7440	0.000	1	107.7440	0.000	1	109.1082	2.077	8	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	110.1317	0.397	3	110.1317	0.157	3	109.1082	2.077	8	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	106.4290	0.000	1	106.4290	0.000	1	109.1082	2.077	8	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]N)	109.9635	0.190	2	109.4327	0.863	3	109.1082	2.077	8	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	108.3710	0.000	1	109.4327	0.863	3	109.1082	2.077	8	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	H(C[5]C[5,6a]C[5]N)	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]N[5])	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2	H(C[5]C[5,6a]C[5]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]N[6])	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2{1|H<2>,6|C<3>}	H(C[5]C[5,6a]C[5]P)	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]P)	110.4990	0.000	1	110.4990	0.000	1	110.4990	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H){1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]N[6])(C[5]P[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(P[5]N[5]CW)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]N[6])(C[5]P[5]HH)(COO)(H){1|W<6>,3|C<4>}	C[5](C[5]C[5]CH)(P[5]N[5]CW)(H)2{1|N<3>}	H(C[5]C[5]2C)	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|Si<5>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2N[5])	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5a]C[5]2)	108.8880	0.827	4	108.8880	0.685	4	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5a]C[5]2)	108.9180	0.000	2	108.9180	0.000	2	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5a]C[5]2)	110.4960	0.000	1	110.4960	0.000	1	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5a]C[5]2)	110.7967	0.507	3	110.7967	0.257	3	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5a]C[5]2)	108.6475	0.388	2	108.6475	0.151	2	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5a]C[5]2)	108.7290	0.117	2	108.7290	0.014	2	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5a]C[5]2)	105.9620	0.000	1	105.9620	0.000	1	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5a]C[5]2)	110.2230	0.000	1	110.2230	0.000	1	109.2007	1.680	16	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5a]C[5]N[5])	109.4795	0.257	2	109.4795	0.066	2	110.0899	2.855	15	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5a]C[5]N[5])	108.9975	2.383	4	108.9975	5.680	4	110.0899	2.855	15	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	108.3280	0.000	1	108.9695	0.823	2	110.0899	2.855	15	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	109.6110	0.000	1	108.9695	0.823	2	110.0899	2.855	15	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	111.5720	1.308	2	111.5720	1.711	2	110.0899	2.855	15	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5a]C[5]N[5])	111.5000	1.578	2	111.5000	2.491	2	110.0899	2.855	15	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	110.7720	0.146	3	110.7720	0.021	3	110.0899	2.855	15	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.0140	0.000	1	109.0670	0.026	4	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<2>,1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.0847	0.193	3	109.0670	0.026	4	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2{1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.8100	0.000	1	108.8100	0.000	1	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.8560	0.000	1	108.8560	0.000	1	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2400	0.000	1	109.2400	0.000	1	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.1040	0.000	1	106.8345	1.067	2	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.5650	0.000	1	106.8345	1.067	2	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.4435	0.021	2	108.4435	0.000	2	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.8790	0.000	1	107.8790	0.000	1	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.9980	0.000	1	109.9980	0.000	1	108.5852	0.941	13	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3520	0.000	1	110.3520	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[6a]C[5]N[5])	109.7910	0.000	1	109.7910	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4410	0.134	2	109.4410	0.018	2	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2323	0.272	3	109.2323	0.074	3	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5720	0.000	1	108.5720	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6110	0.000	1	109.0579	0.221	11	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7810	0.413	6	109.0579	0.221	11	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0850	0.000	1	109.0579	0.221	11	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0520	0.000	1	109.0579	0.221	11	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6015	0.047	2	109.0579	0.221	11	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2237	0.257	4	109.1910	0.075	8	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1582	0.325	4	109.1910	0.075	8	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<2>,2|C<3>,2|F<1>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4805	0.006	2	109.4805	0.000	2	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8720	0.000	1	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.4120	0.000	1	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2987	1.463	3	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5180	0.178	2	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1650	0.287	2	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0780	0.000	1	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6190	0.692	3	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.1500	0.000	1	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4045	2.866	2	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1972	1.036	8	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1800	0.000	1	109.2079	1.817	25	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|I<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4780	0.000	1	109.4780	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6820	0.000	1	109.6820	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9927	1.854	3	109.9927	3.438	3	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5710	0.000	1	109.2330	0.179	3	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0640	0.431	2	109.2330	0.179	3	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5670	0.000	1	109.5670	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7300	0.482	8	109.7300	0.233	8	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5370	0.745	2	109.5370	0.555	2	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0400	0.000	1	110.0400	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4960	0.000	1	109.4960	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7850	0.000	1	109.7850	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2590	0.000	1	109.2590	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|S<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5570	0.000	1	108.5570	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0605	0.213	2	109.0605	0.045	2	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8920	0.000	1	109.6743	0.139	6	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0350	0.000	1	109.6743	0.139	6	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7003	0.242	3	109.6743	0.139	6	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0180	0.000	1	109.6743	0.139	6	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9640	0.000	1	108.9640	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1670	0.000	1	109.1670	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2710	0.000	1	108.2710	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[6a]C[5]N[5])	109.3440	0.000	1	109.3440	0.000	1	109.3332	0.745	90	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	107.2415	1.060	4	107.2415	1.124	4	107.3334	1.209	8	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	107.4253	1.294	4	107.4253	1.675	4	107.3334	1.209	8	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]N[5,5]C[5]C)	109.3063	0.160	3	109.3063	0.025	3	109.3063	0.025	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H)	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H){5|C<4>}	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]C)	108.5360	0.109	2	108.5360	0.012	2	110.0257	1.324	9	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]C)	109.9390	0.000	1	109.9390	0.000	1	110.0257	1.324	9	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]N[5,5]C[5]C)	110.6410	0.000	1	110.6410	0.000	1	110.0257	1.324	9	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]N[5,5]C[5]C)	110.7010	0.000	1	110.7010	0.000	1	110.0257	1.324	9	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]C)	110.4695	1.226	4	110.4695	1.503	4	110.0257	1.324	9	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2	H(C[5]N[5,5]C[5]N)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]N[5,5]C[5]N)	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]N[5,5]C[5]N[5])	109.6450	0.284	2	109.5753	0.055	3	109.5753	0.055	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]N[5,5]C[5]N[5])	109.4360	0.000	1	109.5753	0.055	3	109.5753	0.055	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:N[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2	H(C[5]N[5,5]N[6a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]N[5,5]N[6a]C[5])	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	109.2420	0.000	1	109.2420	0.000	1	109.6905	0.402	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H){1|C<4>,5|C<3>}	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	H(C[5]N[5,6]C[5]C)	110.1390	0.000	1	110.1390	0.000	1	109.6905	0.402	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	109.0545	0.128	2	109.0545	0.016	2	109.3923	1.015	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	109.3070	1.069	8	109.3070	1.143	8	109.3923	1.015	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	110.7500	0.000	1	110.7500	0.000	1	109.3923	1.015	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	110.9500	0.000	1	110.9500	0.000	1	110.2274	0.309	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<2>}	H(C[5]N[5,6]C[5]C)	110.4800	0.000	1	110.0825	0.302	8	110.2274	0.309	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	110.0257	0.567	7	110.0825	0.302	8	110.2274	0.309	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	110.1320	0.000	1	110.1320	0.000	1	110.2274	0.309	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<2>,2|O<1>}	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]N[5,6]C[5]C)	110.7590	0.000	1	110.7590	0.000	1	110.2274	0.309	11	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6]OO)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,2|C<4>,3|O<1>}	C[5](C[5]N[5,6]CH)(S[5]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.1582	0.338	13	109.1346	0.144	17	109.1346	0.144	17	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.5925	0.046	2	109.1346	0.144	17	109.1346	0.144	17	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	109.5235	0.182	2	109.1346	0.144	17	109.1346	0.144	17	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2	H(C[5]N[5,6]C[5]N[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,2|O<1>,7|C<3>}	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]N[5])	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H)	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H){1|C<4>,3|C<3>}	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	110.1260	0.000	1	110.1260	0.000	1	110.1763	0.397	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.5730	0.000	1	109.5730	0.000	1	110.1763	0.397	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H){1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2{4|C<3>}	H(C[5]C[5]N[5]C)	110.8300	0.000	1	110.8300	0.000	1	110.1763	0.397	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H){1|N<3>,3|C<3>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.7320	0.217	5	109.6211	0.071	7	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	109.3440	0.160	2	109.6211	0.071	7	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{3|C<4>}	H(C[5]C[5]N[5]C)	109.4850	0.000	1	109.4850	0.000	1	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.5230	0.000	1	109.5177	0.347	6	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3166	0.361	5	109.5177	0.347	6	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1610	0.000	1	110.4185	0.133	2	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.6760	0.000	1	110.4185	0.133	2	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.3555	0.292	2	110.3555	0.085	2	109.7493	0.266	18	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8410	0.000	1	109.8410	0.000	1	109.6695	0.059	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4980	0.000	1	109.4980	0.000	1	109.6695	0.059	2	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0740	0.000	1	109.0740	0.000	1	109.7537	0.418	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2{6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8260	0.000	1	109.8260	0.000	1	109.7537	0.418	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2{3|C<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3610	0.000	1	110.3610	0.000	1	109.7537	0.418	3	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	108.2815	0.829	2	108.2815	0.688	2	109.2228	1.734	5	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]2)	109.1600	0.000	1	109.1600	0.000	1	109.2228	1.734	5	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]2)	111.3310	0.000	1	111.3310	0.000	1	109.2228	1.734	5	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	109.0600	0.000	1	109.0600	0.000	1	109.2228	1.734	5	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|N<2>}	H(C[5]N[5a]C[5]N[5])	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:S[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[6a]C[5]S[5])	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[6a]C[5]S[5])	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	109.4172	1.340	270	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]C)	107.7545	0.087	2	107.7545	0.008	2	107.7545	0.008	2	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]2)	107.9940	0.000	1	108.5915	0.714	2	108.5915	0.714	2	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]2)	109.1890	0.000	1	108.5915	0.714	2	108.5915	0.714	2	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H){4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.7985	0.914	2	109.7985	0.836	2	109.7985	0.836	2	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	106.1370	0.000	1	106.1370	0.000	1	108.6085	1.822	10	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.0357	1.308	6	109.0357	1.712	6	108.6085	1.822	10	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.1490	0.000	1	109.1490	0.000	1	108.6085	1.822	10	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	108.2925	0.377	2	108.2925	0.142	2	108.6085	1.822	10	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]N[5])	108.7735	0.163	2	108.7735	0.027	2	108.7735	0.027	2	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]S)	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	H(C[5]C[6a]C[5]2)	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0090	0.000	1	108.0090	0.000	1	108.1720	0.088	3	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5140	0.000	1	108.5140	0.000	1	108.1720	0.088	3	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	107.9930	0.000	1	107.9930	0.000	1	108.1720	0.088	3	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1710	0.000	1	109.1710	0.000	1	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8310	0.000	1	108.8310	0.000	1	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2130	0.151	2	109.2130	0.023	2	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2450	0.000	1	108.7820	0.429	2	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3190	0.000	1	108.7820	0.429	2	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4600	0.000	1	109.4600	0.000	1	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]N[5])	107.3300	0.000	1	107.3300	0.000	1	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8450	0.420	5	108.8450	0.177	5	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8860	0.000	1	109.8860	0.000	1	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	112.4030	0.000	1	112.4030	0.000	1	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7550	0.000	1	109.7550	0.000	1	109.1907	1.125	16	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[5]N[5,5]C[5]C)	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	H(C[5]N[5a]C[5]2)	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	108.8630	1.229	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.0425	0.923	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:2:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(CN)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(CN)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	109.0425	0.923	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-2:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5]C)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5]C[6])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	H(C[5]C[5,5a]C[5]C[6])	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.6490	0.000	1	109.6490	0.000	1	109.1310	0.537	2	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.6130	0.000	1	108.6130	0.000	1	109.1310	0.537	2	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]C)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]C)	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	107.2870	0.000	1	107.9050	0.312	3	107.9050	0.312	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	108.2140	0.228	2	107.9050	0.312	3	107.9050	0.312	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.6930	0.000	1	108.3363	1.251	3	108.3363	1.251	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6580	1.372	2	108.3363	1.251	3	108.3363	1.251	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.6690	0.727	3	108.0607	0.966	4	108.1032	0.734	5	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2360	0.000	1	108.0607	0.966	4	108.1032	0.734	5	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.2730	0.000	1	108.2730	0.000	1	108.1032	0.734	5	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.0290	0.959	2	109.0290	0.919	2	109.0290	0.919	2	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]N)	107.8155	1.217	2	107.8155	1.481	2	107.8155	1.481	2	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CNO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(COO)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CNO)(H){1|C<3>}	H(C[5]C[5]2C)	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	109.1170	0.000	1	109.1170	0.000	1	109.1890	0.010	2	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	H(C[5]C[5a]C[5]N[5])	109.2610	0.000	1	109.2610	0.000	1	109.1890	0.010	2	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1430	0.000	1	109.1430	0.000	1	108.5533	0.531	6	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.6320	0.358	2	108.6320	0.128	2	108.5533	0.531	6	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.9530	0.000	1	108.9530	0.000	1	108.5533	0.531	6	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.1580	0.000	1	107.1580	0.000	1	108.5533	0.531	6	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H){2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.8020	0.000	1	108.8020	0.000	1	108.5533	0.531	6	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.7590	0.358	2	108.7590	0.128	2	108.8608	0.098	9	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){4|C<3>}	H(C[5]C[6a]C[5]2)	108.8990	0.392	4	108.8990	0.153	4	108.8608	0.098	9	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.1650	0.000	1	109.1650	0.000	1	108.8608	0.098	9	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.8880	0.000	1	108.7340	0.047	2	108.8608	0.098	9	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.5800	0.000	1	108.7340	0.047	2	108.8608	0.098	9	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1367	0.875	3	108.1367	0.765	3	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6630	0.000	1	109.0285	0.178	11	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9651	0.386	10	109.0285	0.178	11	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4915	0.102	4	108.4915	0.010	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0260	0.000	1	108.0260	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7640	0.000	1	109.0320	0.144	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3000	0.000	1	109.0320	0.144	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1015	0.303	2	107.7953	0.175	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.4890	0.240	2	107.7953	0.175	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7220	0.000	1	108.7220	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9080	0.844	3	108.9080	0.712	3	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7640	0.000	1	108.7640	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.6130	0.680	2	107.6130	0.463	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.1590	0.000	2	107.1590	0.000	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3323	1.155	3	108.1130	1.082	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.4550	0.000	1	108.1130	1.082	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5530	0.000	1	109.2860	0.143	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0190	0.000	1	109.2860	0.143	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.0120	0.000	1	107.0120	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|P<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8530	0.000	1	108.2360	0.761	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.6190	0.000	1	108.2360	0.761	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	104.2470	0.000	1	104.2470	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9760	0.290	4	108.9760	0.084	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4010	0.098	2	109.8195	0.476	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2380	0.255	2	109.8195	0.476	4	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2090	0.000	1	110.2090	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3920	0.000	1	109.3920	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6050	0.000	1	109.6050	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0265	0.381	2	109.0265	0.145	2	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4850	0.000	1	109.4850	0.000	1	108.6103	1.049	58	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:F-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0130	0.000	1	109.3430	0.570	3	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0080	0.683	2	109.3430	0.570	3	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4520	0.000	1	108.4520	0.000	1	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2110	0.000	1	108.2110	0.000	1	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8970	0.000	1	107.8875	0.000	2	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8780	0.000	1	107.8875	0.000	2	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1880	0.000	1	108.1880	0.000	1	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2240	0.000	1	110.3950	0.058	2	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5660	0.000	1	110.3950	0.058	2	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8260	0.000	1	107.8260	0.000	1	108.8428	1.061	11	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(C[5]N[5,5]C[5]C)	110.5640	0.000	1	110.5640	0.000	1	110.3720	0.020	5	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(C[5]N[5,5]C[5]C)	110.3240	0.108	4	110.3240	0.012	4	110.3720	0.020	5	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H){1|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]C)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]C)	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H)	H(C[5]N[5,5a]C[5]N)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H){4|C<3>}	H(C[5]N[5,5a]C[5]N)	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	109.6630	0.000	2	109.6630	0.000	2	109.8072	0.090	8	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	110.4260	0.000	1	110.4260	0.000	1	109.8072	0.090	8	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	109.4450	0.000	1	109.4450	0.000	1	109.8072	0.090	8	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	109.7600	0.000	1	109.7600	0.000	1	109.8072	0.090	8	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]N[5,6]C[5]C)	110.0480	0.000	1	109.8337	0.035	3	109.8072	0.090	8	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	109.7265	0.043	2	109.8337	0.035	3	109.8072	0.090	8	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	108.5940	0.000	1	108.5940	0.000	1	109.9963	1.476	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H){1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]C)	110.6975	0.039	2	110.6975	0.002	2	109.9963	1.476	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H){2|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H){1|N<2>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]C)	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.1270	0.000	1	110.1270	0.000	1	109.8673	0.313	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	H(C[5]C[5]N[5]C)	109.2250	0.000	1	109.2250	0.000	1	109.8673	0.313	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	H(C[5]C[5]N[5]C)	110.2500	0.000	1	110.2500	0.000	1	109.8673	0.313	3	108.8735	1.079	135	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CC[6a]O)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	H(C[5]C[5]2C)	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN){7|C<3>}	H(C[5]C[6a]C[5]2)	108.5295	0.002	2	108.5295	0.000	2	108.5295	0.000	2	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH){1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5a]C[5]N[5])	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.8290	0.000	1	106.8290	0.000	1	108.4620	5.333	2	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]2)	110.0950	0.000	1	110.0950	0.000	1	108.4620	5.333	2	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8450	2.018	2	107.8450	4.073	2	108.3111	1.390	8	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3455	2.217	2	108.3455	4.914	2	108.3111	1.390	8	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2560	0.000	1	108.2560	0.000	1	108.3111	1.390	8	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(CN){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6173	0.105	3	108.6173	0.011	3	108.3111	1.390	8	108.5241	1.314	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NCC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NCC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	108.9905	0.064	2	108.9905	0.004	2	108.9905	0.004	2	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.4960	0.000	1	109.4960	0.000	1	109.4775	0.001	2	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.4590	0.000	1	109.4590	0.000	1	109.4775	0.001	2	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0990	0.000	1	108.0990	0.000	1	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6480	0.000	1	109.1095	0.426	2	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5710	0.000	1	109.1095	0.426	2	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.5050	0.000	1	106.5370	0.002	2	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.5690	0.000	1	106.5370	0.002	2	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0915	0.132	2	108.0915	0.017	2	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7780	0.000	1	108.7780	0.000	1	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6440	0.000	1	109.6440	0.000	1	108.2219	1.260	9	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.6275	0.781	2	107.6275	0.611	2	108.0777	0.913	3	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(NOO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(NOO){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9780	0.000	1	108.9780	0.000	1	108.0777	0.913	3	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8830	0.346	2	109.8830	0.120	2	109.8830	0.120	2	108.6073	1.134	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,5a]C[5]C)	110.5450	0.000	1	110.5450	0.000	1	110.5450	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCP)(H)	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCP)(H){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H){2|C<3>}	H(C[5]C[5,6]C[5]C)	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.5060	0.000	1	108.5060	0.000	1	109.0130	0.587	5	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.6625	0.414	2	108.6625	0.171	2	109.0130	0.587	5	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H){1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.6170	0.972	2	109.6170	0.944	2	109.0130	0.587	5	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	109.4070	0.000	1	109.4070	0.000	1	108.1475	3.173	2	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	106.8880	0.000	1	106.8880	0.000	1	108.1475	3.173	2	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]N[5])	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.4570	0.000	1	109.4570	0.000	1	111.2995	6.790	2	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]O)	113.1420	0.000	1	113.1420	0.000	1	111.2995	6.790	2	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.5940	0.000	1	109.5940	0.000	1	108.3565	1.024	4	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.6290	0.000	1	108.6290	0.000	1	108.3565	1.024	4	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.0050	0.000	1	108.0050	0.000	1	108.3565	1.024	4	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.1980	0.000	1	107.1980	0.000	1	108.3565	1.024	4	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5908	1.755	5	110.5908	3.081	5	109.5841	2.257	11	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.9560	0.000	1	107.9560	0.000	1	109.5841	2.257	11	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2100	0.000	1	109.2100	0.000	1	109.5841	2.257	11	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7450	0.000	1	108.7450	0.000	1	109.5841	2.257	11	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7390	0.044	2	108.7390	0.002	2	109.5841	2.257	11	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	109.0820	0.000	1	109.0820	0.000	1	109.5841	2.257	11	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H){1|P<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	113.2690	0.000	1	111.3226	1.409	5	110.5793	1.680	9	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.8360	0.548	4	111.3226	1.409	5	110.5793	1.680	9	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2920	0.000	1	109.2920	0.000	1	110.5793	1.680	9	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8060	0.000	1	108.8060	0.000	1	110.5793	1.680	9	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1460	0.000	1	110.1460	0.000	1	110.5793	1.680	9	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3570	0.000	1	110.3570	0.000	1	110.5793	1.680	9	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|S<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H){1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]C)	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H)	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]N[5,6]C[5]N[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]N[5])	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H){2|C<3>}	H(C[5]C[5]N[5]C)	109.4940	0.000	2	109.4940	0.000	2	109.4940	0.000	2	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:1:	4:	N[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H)	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|F<1>,2|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H){2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]2)	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	109.7008	2.617	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	106.4860	0.000	1	106.4860	0.000	1	106.4860	0.000	1	106.4860	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1770	0.000	1	108.9905	0.070	2	108.9400	0.042	3	108.8810	0.042	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8040	0.000	1	108.9905	0.070	2	108.9400	0.042	3	108.8810	0.042	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8390	0.000	1	108.8390	0.000	1	108.9400	0.042	3	108.8810	0.042	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.8810	0.042	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(OAl2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(OAl2)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|N<3>}	H(C[5]C[5,6]C[5]O)	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2{1|N<2>,1|N<3>,3|C<4>}	H(C[5]C[5a]C[5]N[5])	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	107.3040	0.000	1	107.3040	0.000	1	107.7677	0.212	3	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.9995	0.319	2	107.9995	0.102	2	107.7677	0.212	3	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-4:C-4:C-4:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,3|O<1>}	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[4,5]C[5]C)	107.4930	0.000	1	107.4930	0.000	1	108.0865	0.704	2	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[5]-4:S[5]-4:C-4:C-4:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3)	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,3|O<1>}	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[4,5]C[5]C)	108.6800	0.000	1	108.6800	0.000	1	108.0865	0.704	2	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:B-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(C[5]C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]B)	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2	H(C[5]C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]N)	106.3080	0.000	1	106.3080	0.000	1	106.3080	0.000	1	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:P-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2	H(C[5]C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]P)	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:3:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:Si-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]Si)	94.0401	0.133	2	94.0401	0.018	2	94.0401	0.018	2	105.9146	28.305	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	107.5850	0.238	2	107.5850	0.056	2	107.5850	0.056	2	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	111.1382	0.802	4	110.6650	1.602	5	111.0014	1.102	22	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.7720	0.000	1	110.6650	1.602	5	111.0014	1.102	22	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2C)	111.5720	0.781	8	111.3429	0.606	15	111.0014	1.102	22	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	111.1390	0.797	6	111.3429	0.606	15	111.0014	1.102	22	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	110.7330	0.000	1	111.3429	0.606	15	111.0014	1.102	22	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.2815	0.155	2	109.2815	0.024	2	111.0014	1.102	22	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2C)	108.1490	0.000	1	108.1490	0.000	1	108.3465	0.078	2	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H)	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H){1|S<4>,2|C<4>}	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2C)	108.5440	0.000	1	108.5440	0.000	1	108.3465	0.078	2	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]C)	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.7655	0.064	2	109.7640	0.001	4	109.7640	0.001	4	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.7625	0.005	2	109.7640	0.001	4	109.7640	0.001	4	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0800	0.553	2	109.0800	0.306	2	108.2322	3.507	11	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.6700	0.000	1	108.1480	0.545	2	108.2322	3.507	11	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|Li<7>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Li<7>,3|C<3>}	H(C[5]C[5]N[5]C)	107.6260	0.000	1	108.1480	0.545	2	108.2322	3.507	11	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.1760	0.000	1	109.1760	0.000	1	108.2322	3.507	11	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8210	0.374	3	109.8210	0.140	3	108.2322	3.507	11	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H)	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H){1|Si<4>,1|C<4>,1|N<3>}	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2{1|Si<4>,1|C<4>,1|N<3>}	H(C[5]C[5]N[5]C)	106.8655	0.032	2	106.8655	0.001	2	108.2322	3.507	11	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H)	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H){1|C<4>,2|N<3>}	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2{1|C<4>,2|N<3>}	H(C[5]C[5]N[5]C)	103.7280	0.000	1	103.7280	0.000	1	108.2322	3.507	11	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H){1|H<1>,2|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{3|H<1>,4|C<3>}	H(C[5]N[5a]C[5]2)	108.2925	0.054	4	108.2925	0.003	4	108.1842	0.061	5	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	107.7510	0.000	1	107.7510	0.000	1	108.1842	0.061	5	109.6811	3.140	47	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:2:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H){1|N<2>,3|C<3>,3|H<1>}	H(C[5]N[5a]C[5]2)	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:3:1:	4:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H){1|H<1>,1|S<4>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H){1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5]3)	107.3440	0.000	1	107.3440	0.000	1	107.3585	0.000	2	107.7334	2.058	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:3:1:	4:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H){1|H<1>,1|S<4>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H){1|N<2>,3|H<1>,5|C<3>}	H(C[5]C[5]3)	107.3730	0.000	1	107.3730	0.000	1	107.3585	0.000	2	107.7334	2.058	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:3:1:	4:	C[5]-3:C[5]-4:P-4:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H){3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H){3|C<3>}	H(C[5]C[5]2P)	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	107.7334	2.058	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,7|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	H(C[5]C[5a]C[5]2)	106.8500	0.238	2	106.8500	0.056	2	106.8500	0.056	2	107.7334	2.058	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:3:2:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5,6a]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C[5])	108.3970	0.187	2	108.3970	0.035	2	108.3970	0.035	2	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]C)	108.9160	0.004	2	108.9160	0.000	2	108.9160	0.000	2	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]C)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]2)	107.5545	0.715	2	107.5545	0.511	2	107.5545	0.511	2	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	109.2830	0.127	2	109.2830	0.016	2	109.2830	0.016	2	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]2)	109.2360	0.205	2	109.2360	0.042	2	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]2)	107.5955	0.241	2	107.5955	0.058	2	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]2)	107.8820	0.567	2	107.8820	0.322	2	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]2)	108.1030	1.556	2	108.1030	2.420	2	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]2)	108.0455	1.531	2	107.9235	0.905	4	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]2)	107.8015	0.558	2	107.9235	0.905	4	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	109.3243	0.770	4	109.3243	0.593	4	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]2)	109.7360	0.783	4	109.6497	0.389	6	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,2|H<1>,8|C<3>}	H(C[5]C[5,6a]C[5]2)	109.4770	0.141	2	109.6497	0.389	6	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]2)	108.9960	0.381	4	108.9960	0.145	4	108.7887	0.972	26	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N)	108.9984	0.705	5	108.9984	0.497	5	108.9984	0.497	5	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:N[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]N[5])	110.6155	0.648	2	110.6155	0.420	2	110.6155	0.420	2	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5,6a]-3:C[5]-4:P[5]-4:H-1:	C[5,6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H)	H(C[5]C[5,6a]C[5]P[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]P[5])	107.5425	0.118	2	107.5425	0.014	2	107.5425	0.014	2	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	H(C[5]C[5]N[5]C)	108.0530	0.000	1	108.0530	0.000	1	108.8125	1.071	8	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	H(C[5]C[5]N[5]C)	107.6850	0.000	1	107.6850	0.000	1	108.8125	1.071	8	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8880	1.006	2	109.8880	1.011	2	108.8125	1.071	8	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	H(C[5]C[5]N[5]C)	108.6920	1.509	2	108.6920	2.277	2	108.8125	1.071	8	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H)	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H){1|Si<5>,1|C<4>,2|O<2>}	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H){1|Si<5>,1|C<4>,2|O<2>}	H(C[5]C[5]N[5]C)	108.8010	0.132	2	108.8010	0.017	2	108.8125	1.071	8	108.8706	1.081	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	H(C[5]C[5]N[5]C)	108.3710	0.000	1	108.3710	0.000	1	109.0200	0.842	2	109.0200	0.842	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	3:4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	H(C[5]C[5]N[5]C)	109.6690	0.000	1	109.6690	0.000	1	109.0200	0.842	2	109.0200	0.842	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5,6]C[5]C)	109.3170	0.000	1	109.4915	0.250	4	109.4915	0.250	4	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5,6]C[5]C)	108.8650	0.000	1	109.4915	0.250	4	109.4915	0.250	4	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5,6]C[5]C)	109.8920	0.076	2	109.4915	0.250	4	109.4915	0.250	4	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.8520	0.000	1	109.8520	0.000	1	110.1718	0.387	10	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.5780	0.923	2	110.5780	0.853	2	110.1718	0.387	10	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.9370	0.000	1	110.9370	0.000	1	110.1718	0.387	10	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.5570	0.000	1	109.5570	0.000	1	110.1718	0.387	10	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.8160	0.000	1	109.8160	0.000	1	110.1718	0.387	10	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.9040	0.561	3	110.1000	0.363	4	110.1718	0.387	10	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.6880	0.000	1	110.1000	0.363	4	110.1718	0.387	10	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:Cl-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H){1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H){2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2C)	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.7870	0.260	2	108.7870	0.068	2	108.7870	0.068	2	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.5920	0.000	1	107.5920	0.000	1	107.7235	1.266	6	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	105.6020	0.000	1	107.5787	1.908	4	107.7235	1.266	6	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.2377	0.507	3	107.5787	1.908	4	107.7235	1.266	6	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.4340	0.000	1	108.4340	0.000	1	107.7235	1.266	6	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2	H(C[5]N[5,5,6]C[5]C)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[5]N[5,5,6]C[5]C)	108.5283	0.384	3	108.5283	0.148	3	108.5283	0.148	3	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H){1|B<4>,1|C<3>,1|N<3>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]N[5,5]C[5]C)	109.9695	0.648	2	109.9695	0.420	2	109.5127	0.764	13	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|B<4>,1|C<3>,1|N<3>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]N[5,5]C[5]C)	109.8513	0.326	6	109.3736	0.879	10	109.5127	0.764	13	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]N[5,5]C[5]C)	107.6760	0.065	2	109.3736	0.879	10	109.5127	0.764	13	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|N<3>,1|P<3>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]N[5,5]C[5]C)	109.6380	0.321	2	109.3736	0.879	10	109.5127	0.764	13	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]N[5,5]C[5]C)	109.9900	0.000	1	109.9900	0.000	1	109.5127	0.764	13	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	109.6385	0.247	2	109.6385	0.061	2	109.9935	0.366	4	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	110.3485	0.730	2	110.3485	0.534	2	109.9935	0.366	4	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{2|C<3>}	H(C[5]N[5,6]C[5]C)	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.6420	0.603	3	110.6420	0.364	3	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5700	0.000	1	109.5700	0.000	1	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8440	0.000	1	109.8440	0.000	1	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H){1|C<4>,1|O<2>}	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]C)	109.5890	0.000	1	109.5890	0.000	1	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1760	0.185	2	109.1760	0.034	2	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.0960	0.000	1	109.9495	0.043	2	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8030	0.000	1	109.9495	0.043	2	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.2985	0.022	2	109.2985	0.000	2	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5930	0.342	3	109.5930	0.117	3	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	108.5910	0.000	1	108.5910	0.000	1	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2230	0.000	1	110.2230	0.000	1	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.4135	0.026	2	109.4943	0.020	3	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|O<1>,2|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.6560	0.000	1	109.4943	0.020	3	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9130	0.000	1	109.9130	0.000	1	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4585	0.750	2	109.4585	0.563	2	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H){2|N<2>}	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]N[5]C)	108.9035	0.016	2	108.9035	0.000	2	109.6196	0.345	25	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H){1|C<4>,1|N<2>,1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]C)	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]N[5])	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H){1|O<1>,4|C<4>,5|H<1>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]C[6]N[5])	108.8623	0.973	3	108.8623	0.946	3	108.8623	0.946	3	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]2)	109.6420	0.000	1	109.6420	0.000	1	109.5648	0.057	5	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]N[5a]C[5]2)	109.5455	0.272	4	109.5455	0.074	4	109.5648	0.057	5	109.4039	0.865	80	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:2:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.9640	0.000	1	109.9640	0.000	1	109.9640	0.000	1	108.7183	1.170	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CN)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	108.7183	1.170	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	108.7183	1.170	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	B[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]B[6a]C[5]H)(N[5]C[5])(COO)(H)	H(C[5]B[6a]C[5]2)	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]B[6a]C[5]H)(N[5]C[5])(COO)(H){2|C<3>,2|H<1>,2|N<3>}	H(C[5]B[6a]C[5]2)	101.6470	0.000	1	101.6470	0.000	1	101.6470	0.000	1	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.3510	0.085	2	109.3510	0.007	2	109.6410	1.214	5	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.3700	0.000	1	108.3700	0.000	1	109.6410	1.214	5	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7440	0.000	1	109.7440	0.000	1	109.6410	1.214	5	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	111.3890	0.000	1	111.3890	0.000	1	109.6410	1.214	5	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H){1|C<3>}	H(C[5]C[5]2C)	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5a]C[5]2)	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.2400	0.000	1	108.2400	0.000	1	108.4487	0.899	3	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.5530	1.317	2	108.5530	1.734	2	108.4487	0.899	3	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.2457	2.103	3	107.2457	4.424	3	108.0796	3.538	5	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.1190	0.000	1	109.1190	0.000	1	108.0796	3.538	5	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.5420	0.000	1	109.5420	0.000	1	108.0796	3.538	5	108.3460	5.039	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:2:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH){1|C<3>}	H(C[5]C[5]2C)	109.3195	0.589	2	109.3195	0.347	2	109.3195	0.347	2	109.3195	0.347	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]C)	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.6050	0.117	2	110.6050	0.014	2	110.6050	0.014	2	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.1720	0.000	1	108.1720	0.000	1	108.5617	0.149	3	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.7565	0.267	2	108.7565	0.071	2	108.5617	0.149	3	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.9386	0.813	8	107.9386	0.660	8	107.9386	0.660	8	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H){4|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H){3|C<3>}	H(C[5]C[5]N[5]C)	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<3>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,4|H<1>}	H(C[5]N[5a]C[5]2)	109.8510	0.484	2	109.8510	0.234	2	109.8510	0.234	2	108.6221	1.312	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:3:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5a]C[5]2)	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:4:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.3820	0.741	2	107.3820	0.549	2	108.3645	1.533	4	107.6603	2.248	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:4:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	109.6530	0.000	1	109.6530	0.000	1	108.3645	1.533	4	107.6603	2.248	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:4:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	109.0410	0.000	1	109.0410	0.000	1	108.3645	1.533	4	107.6603	2.248	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.8410	0.000	1	106.2520	0.694	2	106.2520	0.694	2	107.6603	2.248	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:2:4:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	105.6630	0.000	1	106.2520	0.694	2	106.2520	0.694	2	107.6603	2.248	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2{2|C<3>}	H(C[5]C[5,5]C[5]C)	108.9355	0.627	2	108.9355	0.393	2	108.9355	0.393	2	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]C)	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	107.7700	0.000	1	107.7700	0.000	1	109.4419	0.913	15	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.8280	0.000	1	108.8280	0.000	1	109.4419	0.913	15	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.1727	0.487	3	109.1727	0.238	3	109.4419	0.913	15	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7925	0.952	8	109.8673	0.843	9	109.4419	0.913	15	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.4660	0.000	1	109.8673	0.843	9	109.4419	0.913	15	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.7070	0.000	1	108.7070	0.000	1	109.4419	0.913	15	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	109.3260	0.802	4	109.3260	0.644	4	109.3260	0.644	4	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5a]C[5]2)	107.8095	0.029	2	107.8095	0.001	2	107.4232	0.274	4	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|S<2>,4|C<3>}	H(C[5]C[5a]C[5]2)	106.7020	0.000	1	106.7020	0.000	1	107.4232	0.274	4	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[5]C[5a]C[5]2)	107.3720	0.000	1	107.3720	0.000	1	107.4232	0.274	4	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5a]C[5]2)	109.0310	0.000	1	109.0310	0.000	1	108.2465	1.231	2	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,1|S<2>,4|C<3>}	H(C[5]C[5a]C[5]2)	107.4620	0.000	1	107.4620	0.000	1	108.2465	1.231	2	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4668	0.040	5	106.4668	0.002	5	106.4668	0.002	5	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	110.3590	0.000	1	110.3590	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[6a]C[5]2)	106.1355	0.398	4	106.1355	0.158	4	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.5520	0.759	2	109.1773	0.200	6	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.9900	0.027	4	109.1773	0.200	6	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.8020	0.000	1	106.8020	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.9380	0.000	1	106.9380	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.6830	0.000	1	107.6830	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.6380	0.000	1	106.6380	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.7420	0.000	1	107.0473	0.326	3	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.6940	0.000	1	107.0473	0.326	3	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{5|C<3>}	H(C[5]C[6a]C[5]2)	107.7060	0.000	1	107.0473	0.326	3	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.2590	0.000	1	108.2590	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.5575	1.281	2	108.5575	1.640	2	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.8860	0.000	1	107.8860	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.1350	0.000	1	108.4469	2.643	7	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.5550	0.000	1	108.4469	2.643	7	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.4030	2.414	2	108.4469	2.643	7	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.0775	1.460	2	108.4469	2.643	7	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	110.4770	0.000	1	108.4469	2.643	7	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	110.8010	0.000	1	110.8010	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]2)	106.8660	0.000	1	107.9297	1.818	3	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.4460	0.000	1	107.9297	1.818	3	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	107.4770	0.000	1	107.9297	1.818	3	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|F<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.3720	0.000	1	107.3720	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.7704	0.716	10	107.9020	0.652	11	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2180	0.000	1	107.9020	0.652	11	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.2440	0.546	3	108.2440	0.298	3	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.9350	0.093	2	106.9350	0.009	2	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.8735	0.103	2	106.8735	0.011	2	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.9360	0.000	1	107.9360	0.000	1	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.5853	0.734	4	108.5853	0.538	4	107.9836	1.497	57	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	104.8950	0.000	1	104.8950	0.000	1	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|Se<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]2)	107.4865	0.479	2	107.4865	0.229	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.5850	0.000	1	106.5850	0.000	1	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1750	0.000	1	109.1750	0.000	1	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.6815	0.718	2	107.6815	0.515	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	102.0190	0.000	1	105.1410	19.494	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.2630	0.000	1	105.1410	19.494	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.8120	0.000	1	108.8950	1.682	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.9780	0.000	1	108.8950	1.682	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.7830	0.000	1	106.7830	0.000	1	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.9910	0.000	1	108.9910	0.000	1	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.4360	0.000	1	108.2485	0.070	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.0610	0.000	1	108.2485	0.070	2	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	109.1360	0.000	1	109.1360	0.000	1	107.5294	3.602	16	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H){1|O<1>,4|C<3>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]C)	109.6840	0.000	1	109.6840	0.000	1	109.3235	0.233	4	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]N[5,5]C[5]C)	108.6580	0.000	1	108.6580	0.000	1	109.3235	0.233	4	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|O<1>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]C)	109.4760	0.284	2	109.4760	0.081	2	109.3235	0.233	4	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2{1|S<2>,2|C<3>}	H(C[5]N[5,6]C[5]C)	110.3180	0.000	1	110.3180	0.000	1	110.1107	1.920	3	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,6]C[5]C)	108.6330	0.000	1	108.6330	0.000	1	110.1107	1.920	3	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{2|C<4>}	H(C[5]N[5,6]C[5]C)	111.3810	0.000	1	111.3810	0.000	1	110.1107	1.920	3	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2{1|B<4>,1|O<2>}	H(C[5]N[5,6]C[5]C)	108.7210	0.000	1	108.7210	0.000	1	109.2390	0.537	2	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|O<1>}	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]N[5,6]C[5]C)	109.7570	0.000	1	109.7570	0.000	1	109.2390	0.537	2	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]N[5,6a]C[5]C)	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	108.3059	2.260	119	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H)	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	109.0362	0.354	4	109.0362	0.126	4	109.0362	0.126	4	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]N)	108.2635	0.023	2	108.2635	0.001	2	108.2635	0.001	2	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.2080	0.064	2	108.2080	0.004	2	107.3622	2.396	9	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]2)	107.1206	1.699	7	107.1206	2.887	7	107.3622	2.396	9	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H){1|S<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]C)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:1:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]C)	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	108.0263	1.687	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.9095	1.733	2	107.9095	3.004	2	105.9852	2.828	6	105.9852	2.828	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2{2|C<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	105.0190	0.144	2	105.0190	0.021	2	105.9852	2.828	6	105.9852	2.828	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2{1|N<3>,2|C<2>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.0270	0.086	2	105.0270	0.007	2	105.9852	2.828	6	105.9852	2.828	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:2:3:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|N<3>}	H(C[5]C[5,5a]C[5]C)	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	107.6872	1.038	5	107.6872	1.077	5	107.8469	1.332	7	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.5180	0.000	1	109.5180	0.000	1	107.8469	1.332	7	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	106.9740	0.000	1	106.9740	0.000	1	107.8469	1.332	7	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	109.5430	0.167	2	109.5430	0.028	2	109.6828	0.416	6	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]2)	109.7527	0.815	4	109.7527	0.665	4	109.6828	0.416	6	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	108.2030	0.000	1	108.2030	0.000	1	108.0930	0.024	2	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CCO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CCO)(H){2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]2)	107.9830	0.000	1	107.9830	0.000	1	108.0930	0.024	2	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,7|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	H(C[5]C[5a]C[5]2)	106.9070	0.277	2	106.9070	0.077	2	106.9070	0.077	2	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5a]C[5]2)	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5a]C[5]2)	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H){1|C<2>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.2640	0.000	1	106.2640	0.000	1	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H){2|C<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.8835	1.730	2	107.8835	2.994	2	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.5475	0.746	2	109.1628	0.200	6	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.9705	0.024	4	109.1628	0.200	6	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.9370	0.000	1	106.9370	0.000	1	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.0780	0.000	1	107.0780	0.000	1	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.2110	0.000	1	108.2110	0.000	1	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.9820	0.000	1	107.9820	0.000	1	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.2323	0.438	3	108.2323	0.192	3	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.1080	0.000	1	107.1080	0.000	1	108.1777	1.124	17	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.1730	0.000	1	108.1730	0.000	1	108.2030	0.832	3	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.1300	0.000	1	109.1300	0.000	1	108.2030	0.832	3	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.3060	0.000	1	107.3060	0.000	1	108.2030	0.832	3	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.3383	0.040	3	107.2164	0.472	9	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.0037	0.429	4	107.2164	0.472	9	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.4590	1.697	2	107.2164	0.472	9	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.6010	0.000	1	107.5631	0.573	8	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4149	0.681	7	107.5631	0.573	8	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	110.7180	2.898	2	110.7180	8.397	2	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.3450	0.000	1	108.3450	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.4011	0.395	7	107.4262	0.139	8	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.6020	0.000	1	107.4262	0.139	8	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.4735	0.446	2	108.4735	0.199	2	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.0120	0.000	1	107.0120	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.0730	0.000	1	109.0730	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.1310	0.000	1	108.1310	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.6100	0.000	1	107.3430	1.075	2	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.0760	0.000	1	107.3430	1.075	2	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.2110	0.000	1	109.2110	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.0610	0.000	1	108.0610	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2520	0.000	1	108.1160	1.019	3	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.5480	0.321	2	108.1160	1.019	3	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.9990	0.000	1	107.9990	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.3650	0.000	1	107.9718	0.287	4	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.4430	0.000	1	107.9718	0.287	4	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.5395	0.332	2	107.9718	0.287	4	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.6710	0.000	1	108.6710	0.000	1	107.8407	1.115	46	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H){1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]C)	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H){2|H<1>,3|C<3>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	H(C[5]N[5a]C[5]2)	107.5650	0.000	1	107.5650	0.000	1	107.6190	0.006	2	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	107.6730	0.000	1	107.6730	0.000	1	107.6190	0.006	2	108.0797	1.177	93	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN){2|C<3>}	H(C[5]C[5,6a]C[5]C)	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	108.6622	3.647	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	108.6622	3.647	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]C)	110.1350	0.000	1	110.5425	0.332	2	110.5425	0.332	2	108.6622	3.647	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|H<1>,8|C<3>}	H(C[5]C[5,6a]C[5]C)	110.9500	0.000	1	110.5425	0.332	2	110.5425	0.332	2	108.6622	3.647	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	108.6622	3.647	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	108.6622	3.647	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){3|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]C[6])	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	107.7780	0.027	2	107.7780	0.001	2	106.4783	5.068	3	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	103.8790	0.000	1	103.8790	0.000	1	106.4783	5.068	3	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.1230	0.000	1	107.1230	0.000	1	105.6022	6.864	4	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	105.5460	0.000	1	105.5460	0.000	1	105.6022	6.864	4	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.8030	0.000	1	107.8030	0.000	1	105.6022	6.864	4	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	101.9370	0.000	1	101.9370	0.000	1	105.6022	6.864	4	107.0057	8.219	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]2)	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.5880	0.146	2	109.5880	0.021	2	109.5880	0.021	2	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]2)	107.8070	1.198	2	108.5995	1.591	4	108.5995	1.591	4	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]2)	109.3920	0.909	2	108.5995	1.591	4	108.5995	1.591	4	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H){1|C<3>}	H(C[5]C[5]2C)	110.4930	2.288	4	110.4930	5.234	4	109.5180	5.501	6	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|Ni<4>,1|C<3>}	H(C[5]C[5]2C)	107.5680	0.631	2	107.5680	0.398	2	109.5180	5.501	6	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5a]C[5]2)	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,4|C<3>,5|H<1>}	H(C[5]C[5]2C[6])	108.7640	0.338	2	108.7640	0.114	2	108.7640	0.114	2	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H){2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:F-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.9570	0.113	2	107.9570	0.013	2	108.2680	0.093	5	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.4025	0.056	2	108.4025	0.003	2	108.2680	0.093	5	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.6210	0.000	1	108.6210	0.000	1	108.2680	0.093	5	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.9120	0.000	1	108.9120	0.000	1	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.6510	0.000	1	106.6510	0.000	1	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]2)	105.8030	0.000	1	105.8030	0.000	1	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.3010	0.000	1	107.3010	0.000	1	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.9080	0.000	1	107.9080	0.000	1	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.5560	0.000	1	109.5560	0.000	1	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	104.3870	0.000	1	104.3870	0.000	1	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]2)	107.1279	1.680	7	107.1279	2.824	7	107.1724	2.779	14	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H){1|Ru<5>,1|C<4>,2|C<3>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H){1|Ru<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.0350	0.064	2	109.0350	0.004	2	109.0350	0.004	2	108.1182	2.642	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:2:	4:	C[5,6a]-3:C[5]-4:S-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	H(C[5]C[5,6a]C[5]S)	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	105.4628	5.314	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	103.4765	2.293	2	103.4765	5.259	2	104.7998	4.154	4	105.4628	5.314	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.1230	0.447	2	106.1230	0.200	2	104.7998	4.154	4	105.4628	5.314	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO){1|C<3>,1|N<3>}	H(C[5]C[5,5a]C[5]C)	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO){1|H<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.8840	0.000	1	108.8840	0.000	1	107.5165	0.696	6	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(COO){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.6990	0.000	1	106.6990	0.000	1	107.5165	0.696	6	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.5560	0.061	2	107.6407	0.023	3	107.5165	0.696	6	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.8100	0.000	1	107.6407	0.023	3	107.5165	0.696	6	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.5940	0.000	1	106.5940	0.000	1	107.5165	0.696	6	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:3:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CH3)(COO)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H){2|H<1>,3|C<3>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(CH3)(COO){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.3730	0.000	2	109.3730	0.000	2	109.3730	0.000	2	107.9741	1.150	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.8390	0.000	1	107.8390	0.000	1	107.4910	0.242	2	107.4910	0.242	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.1430	0.000	1	107.1430	0.000	1	107.4910	0.242	2	107.4910	0.242	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H){2|C<3>,4|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5,5]C[5]C)	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]C[5,5a]C[5]C)	109.8610	1.913	2	109.8610	3.661	2	109.5383	2.143	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,5a]C[5]C)	108.8930	0.000	1	108.8930	0.000	1	109.5383	2.143	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.1880	0.000	1	108.1880	0.000	1	109.1475	1.374	4	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>}	H(C[5]C[5,6]C[5]C)	110.5810	0.000	1	109.3860	2.856	2	109.1475	1.374	4	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.1910	0.000	1	109.3860	2.856	2	109.1475	1.374	4	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5,6]C[5]C)	109.6300	0.000	1	109.6300	0.000	1	109.1475	1.374	4	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]2)	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.2027	0.534	3	110.2027	0.285	3	109.9315	0.484	4	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H){4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.1180	0.000	1	109.1180	0.000	1	109.9315	0.484	4	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	107.8020	0.000	1	107.8020	0.000	1	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)2(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7780	0.000	1	109.7780	0.000	1	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	107.3530	0.000	1	107.3530	0.000	1	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.3550	0.000	1	109.3550	0.000	1	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	111.3270	0.000	1	111.3270	0.000	1	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)2(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)2(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.6810	0.000	1	109.6810	0.000	1	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.4760	0.000	1	110.4760	0.000	1	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5,6a]C[5]C)	105.7340	0.267	2	105.7340	0.071	2	108.5822	4.096	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H)	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H){1|Rh<3>,1|H<1>,3|C<3>}	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]C)	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]2)	108.5575	1.295	4	108.5575	1.678	4	108.5772	1.260	5	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]2)	108.6560	0.000	1	108.6560	0.000	1	108.5772	1.260	5	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5,6a]C[5]N)	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:N[4]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H)	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]N[4])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5]N[4])	109.6410	0.133	2	109.6410	0.018	2	109.6410	0.018	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2B)	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	109.7170	0.000	1	109.7170	0.000	1	109.1500	2.661	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	110.4220	0.000	1	110.4220	0.000	1	109.1500	2.661	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|I<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2C)	107.3110	0.000	1	107.3110	0.000	1	109.1500	2.661	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.8030	0.000	1	107.8030	0.000	1	109.0801	2.082	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2C)	109.4630	0.000	1	109.4630	0.000	1	109.0801	2.082	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.8610	0.000	1	110.8610	0.000	1	109.0801	2.082	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.0650	0.195	2	107.0650	0.038	2	109.0801	2.082	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.2215	0.175	2	110.2215	0.031	2	109.0801	2.082	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.9920	0.000	1	108.9920	0.000	1	109.0801	2.082	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2C)	110.0290	0.000	1	110.0290	0.000	1	109.0801	2.082	9	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]3)	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2{1|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2Si)	107.4680	0.615	2	107.4680	0.378	2	107.4680	0.378	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	108.1720	0.000	1	107.9543	0.081	3	107.8433	0.399	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.0590	0.000	1	107.9543	0.081	3	107.8433	0.399	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	107.6320	0.000	1	107.9543	0.081	3	107.8433	0.399	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	107.1910	0.008	2	107.1910	0.000	2	107.8433	0.399	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5a]C[5]2)	108.8150	0.000	1	108.8150	0.000	1	107.8433	0.399	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H){1|Pt<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2C[6])	108.1580	0.038	2	108.1580	0.001	2	108.1580	0.001	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7160	0.000	1	108.7160	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.6360	0.000	1	106.6360	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.2697	0.199	3	108.2697	0.040	3	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.2770	0.000	1	108.2770	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.6975	0.214	2	107.6975	0.046	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	114.8790	0.000	1	110.9392	14.235	5	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	112.9420	1.058	2	110.9392	14.235	5	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.5630	0.000	1	110.9392	14.235	5	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.3700	0.000	1	110.9392	14.235	5	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[6a]C[5]2)	108.0953	0.478	3	108.0953	0.229	3	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.2865	0.004	2	107.8682	1.746	5	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	110.2320	0.000	1	107.8682	1.746	5	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.2680	0.028	2	107.8682	1.746	5	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.1660	0.216	4	108.1660	0.047	4	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.8270	0.000	1	107.8270	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{5|C<3>}	H(C[5]C[6a]C[5]2)	104.2300	0.000	1	104.2300	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.5025	0.442	2	108.1943	0.383	3	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.5780	0.000	1	108.1943	0.383	3	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.1010	0.000	1	108.1010	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4141	0.356	8	107.4141	0.127	8	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.5850	0.000	1	107.3660	1.220	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.1470	0.000	1	107.3660	1.220	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.3940	0.000	1	108.3940	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.0500	0.000	1	108.0500	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]2)	105.6910	0.000	1	105.6910	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.4810	0.000	1	109.4810	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	105.6930	0.000	1	105.6930	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.0450	0.000	1	108.0450	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|Pd<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.2310	0.000	1	106.2310	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|F<1>,2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	105.8610	0.000	1	105.8610	0.000	1	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.6150	0.369	2	107.6150	0.136	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[6a]C[5]2)	108.6410	0.652	2	108.6410	0.425	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.5870	0.000	1	108.3610	0.102	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.1350	0.000	1	108.3610	0.102	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.5590	0.000	1	108.2415	0.202	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.9240	0.000	1	108.2415	0.202	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2{2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.0410	0.307	2	108.0410	0.094	2	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.0088	0.433	15	107.6355	0.434	33	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.0830	0.232	2	107.6355	0.434	33	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7342	0.847	6	107.6355	0.434	33	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.5270	0.132	10	107.6355	0.434	33	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|H<1>,3|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.1218	0.144	5	107.5828	0.458	8	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.1520	0.000	1	107.5828	0.458	8	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.4505	0.483	2	107.5828	0.458	8	107.8549	1.774	100	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2{2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.6235	0.695	2	108.6235	0.483	2	108.6235	0.483	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2{4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9065	0.165	2	107.9065	0.027	2	108.2578	0.280	5	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2720	0.000	1	108.1615	0.024	2	108.2578	0.280	5	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0510	0.000	1	108.1615	0.024	2	108.2578	0.280	5	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1530	0.000	1	109.1530	0.000	1	108.2578	0.280	5	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H){2|H<1>,5|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{2|C<4>,7|C<3>}	H(C[5]C[6a]C[5]P[5])	104.9370	0.000	1	104.9370	0.000	1	104.9370	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	107.0480	0.776	4	107.0480	0.602	4	107.0153	0.441	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	106.9500	0.621	2	106.9500	0.385	2	107.0153	0.441	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:S[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[6a]C[5]S[5])	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]C)	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	109.0620	0.000	1	109.0620	0.000	1	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|F<1>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]C)	109.7265	0.334	2	109.7265	0.112	2	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]C)	109.1000	0.000	1	109.1000	0.000	1	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]C)	109.1780	0.000	1	109.7690	0.288	4	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]C)	109.8210	0.000	1	109.7690	0.288	4	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	110.0385	0.606	2	109.7690	0.288	4	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H){1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]C)	109.1480	0.000	1	109.1480	0.000	1	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]C)	110.4663	0.166	4	110.4663	0.027	4	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]C)	110.1120	0.000	1	110.1120	0.000	1	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H){1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,5]C[5]C)	109.3970	0.115	2	109.3970	0.013	2	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,5]CC)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]N[5,5]C[5]C)	108.6890	0.000	1	108.6890	0.000	1	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]N[5,5]C[5]C)	108.4100	0.000	1	108.4100	0.000	1	109.6505	0.442	18	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	107.1730	0.000	1	107.1730	0.000	1	109.1060	2.802	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]C)	110.0725	0.001	2	110.0725	0.000	2	109.1060	2.802	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]C)	108.5000	0.000	1	108.5000	0.000	1	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{3|C<4>}	H(C[5]N[5,6]C[5]C)	106.2900	0.000	1	106.2900	0.000	1	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	108.5560	0.000	1	108.5560	0.000	1	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]C)	108.7230	0.000	1	108.7230	0.000	1	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]C)	110.7830	0.000	1	110.3305	0.410	2	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]C)	109.8780	0.000	1	110.3305	0.410	2	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]N[5,6]C[5]C)	109.1520	0.000	1	109.1520	0.000	1	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]N[5,6]C[5]C)	109.7850	0.000	1	109.7850	0.000	1	108.9584	1.778	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]C)	109.7177	0.451	4	109.7177	0.204	4	109.7177	0.204	4	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]C)	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]2)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.5080	0.000	1	108.5080	0.000	1	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.1630	0.000	1	109.1630	0.000	1	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1320	0.547	2	108.7153	0.671	3	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	107.8820	0.000	1	108.7153	0.671	3	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]C)	109.3471	0.646	12	109.3471	0.417	12	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.2540	2.816	2	108.2540	7.928	2	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.4185	1.447	2	109.9185	1.064	4	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4185	0.313	2	109.9185	1.064	4	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9020	0.000	1	109.9746	0.022	5	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9928	0.166	4	109.9746	0.022	5	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8840	0.267	2	109.8840	0.071	2	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6040	0.000	1	108.6040	0.000	1	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5620	0.000	1	108.5620	0.000	1	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.0869	0.496	7	109.0869	0.246	7	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.2335	0.168	2	112.1187	10.676	3	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	115.8890	0.000	1	112.1187	10.676	3	109.4985	1.755	42	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2{2|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5]2N[5])	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	108.2200	0.013	2	108.2200	0.000	2	108.2740	0.003	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H){1|O<3>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	108.3010	0.040	4	108.3010	0.002	4	108.2740	0.003	6	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2	H(C[5]C[5]N[5]P)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]P)	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]Si)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|N<2>,5|H<1>}	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5a]C[5])	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5a]C[5])	109.2785	0.578	2	109.2785	0.334	2	109.2785	0.334	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]N[5a]C[5]2)	108.3710	0.758	2	108.3710	0.575	2	108.3710	0.575	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]2)	110.3340	0.000	1	110.3340	0.000	1	108.9922	1.227	11	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<3>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5a]C[5]2)	109.8585	0.487	2	109.8585	0.237	2	108.9922	1.227	11	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,4|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]N[5a]C[5]2)	107.3815	0.025	2	107.3815	0.001	2	108.9922	1.227	11	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]N[5a]C[5]2)	109.5450	0.249	4	109.5450	0.062	4	108.9922	1.227	11	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]N[5a]C[5]2)	107.9570	0.000	1	107.9570	0.000	1	108.9922	1.227	11	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]N[5a]C[5]2)	107.9630	0.000	1	107.9630	0.000	1	108.9922	1.227	11	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]2)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[6])	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2N[6])	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,4|H<1>}	H(C[5]N[6a]C[5]2)	107.5120	0.000	1	107.5120	0.000	1	107.7100	0.078	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]N[6a]C[5]2)	107.9080	0.000	1	107.9080	0.000	1	107.7100	0.078	2	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H)	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[5]N[6a]C[5]2)	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]N[6a]C[5]2)	107.5240	0.000	1	107.5240	0.000	1	107.2843	0.075	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]N[6a]C[5]2)	107.1645	0.251	2	107.1645	0.063	2	107.2843	0.075	3	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	P[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.6470	2.256	2	107.6470	5.088	2	107.9184	1.459	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	P[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	108.0088	0.993	6	108.0088	0.985	6	107.9184	1.459	8	108.5587	2.060	295	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H){4|C<3>}	H(C[5]C[5,5a]C[5]C)	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]2)	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]2)	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.1935	0.022	2	107.1935	0.000	2	107.7133	0.811	3	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.7530	0.000	1	108.7530	0.000	1	107.7133	0.811	3	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.9725	0.363	2	107.9725	0.132	2	107.5243	0.668	3	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.6280	0.000	1	106.6280	0.000	1	107.5243	0.668	3	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.7990	0.000	1	107.7990	0.000	1	107.3914	0.453	10	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.2645	0.022	2	107.2645	0.000	2	107.3914	0.453	10	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.3155	0.021	2	107.3155	0.000	2	107.3914	0.453	10	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.1760	0.000	1	106.1760	0.000	1	107.3914	0.453	10	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.3030	0.000	1	108.3030	0.000	1	107.3914	0.453	10	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.9485	0.528	2	107.9485	0.279	2	107.3914	0.453	10	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	106.5790	0.000	1	106.5790	0.000	1	107.3914	0.453	10	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H){1|H<1>,4|C<4>}	H(C[5]N[5,5]C[5]C)	108.4745	0.337	2	108.4745	0.114	2	108.4745	0.114	2	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	109.3210	0.000	1	109.3210	0.000	1	107.7890	1.641	12	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	107.9950	0.000	1	107.9950	0.000	1	107.7890	1.641	12	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	107.2760	1.253	2	108.3542	1.374	6	107.7890	1.641	12	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	108.8932	0.777	4	108.3542	1.374	6	107.7890	1.641	12	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	106.5067	0.317	4	106.5067	0.101	4	107.7890	1.641	12	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,6]C[5]C)	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]2)	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){3|C<3>}	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H){2|C<3>}	H(C[5]C[5]N[5]C)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H)	H(C[5]C[5]2N[5])	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2N[5])	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H)	H(C[5]C[3,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]N[5a]C[5])	110.2690	0.031	2	110.2690	0.001	2	110.2690	0.001	2	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]N[5a]C[5]2)	108.3675	0.753	2	108.3675	0.567	2	108.7953	0.833	3	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H){2|C<3>,2|H<1>}	H(C[5]N[5a]C[5]2)	109.6510	0.000	1	109.6510	0.000	1	108.7953	0.833	3	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2N[6])	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2N[6])	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]N[6a]C[5]2)	107.9380	0.000	1	107.9380	0.000	1	107.5265	0.339	2	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:1:	4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]N[6a]C[5]2)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[5]N[6a]C[5]2)	107.1150	0.000	1	107.1150	0.000	1	107.5265	0.339	2	108.1094	1.560	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.9460	0.248	3	106.9460	0.061	3	106.5464	0.626	10	106.5464	0.626	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{1|C<2>,1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	104.8730	0.000	1	104.8730	0.000	1	106.5464	0.626	10	106.5464	0.626	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CN)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.9882	0.447	4	106.9882	0.200	4	106.5464	0.626	10	106.5464	0.626	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{1|C<2>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.9000	0.113	2	105.9000	0.013	2	106.5464	0.626	10	106.5464	0.626	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	B[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]B[6a]C[5]2)	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,2|N<3>,3|C<3>}	H(C[5]B[6a]C[5]2)	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H)	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H){1|N<3>,2|C<3>,2|S<2>}	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5a]C[5]C)	109.2080	0.000	2	109.2080	0.000	2	109.2080	0.000	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H){2|C<3>}	H(C[5]C[5,5a]C[5]C)	109.9170	0.000	1	109.9170	0.000	1	109.3695	0.600	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H){1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]C)	108.8220	0.000	1	108.8220	0.000	1	109.3695	0.600	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5]C)	109.3780	0.000	1	109.3780	0.000	1	109.3780	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H){1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]C)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	H(C[5]C[5,5a]C[5]Si)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]Si)	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	108.6545	0.801	2	108.6545	0.642	2	108.6545	0.642	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.0210	0.124	2	108.0210	0.015	2	108.8720	0.838	9	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.8867	0.438	3	108.8867	0.192	3	108.8720	0.838	9	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7185	1.549	2	109.7185	2.400	2	108.8720	0.838	9	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H){4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.5700	0.000	1	109.5700	0.000	1	108.8720	0.838	9	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.1390	0.000	1	108.1390	0.000	1	108.8720	0.838	9	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]C)	107.4580	0.000	1	107.4580	0.000	1	108.8987	1.905	4	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]C)	108.7385	0.697	2	108.7385	0.485	2	108.8987	1.905	4	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	110.6600	0.000	1	110.6600	0.000	1	108.8987	1.905	4	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.2050	0.000	1	110.2050	0.000	1	108.6357	2.275	3	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[5,6a]CH)2(NOO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)2(NOO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	107.1970	0.000	1	107.1970	0.000	1	108.6357	2.275	3	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H)	C[5](C[5]C[5,6a]CH)2(NOO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)2(NOO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.5050	0.000	1	108.5050	0.000	1	108.6357	2.275	3	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	107.4600	0.706	2	107.4600	0.498	2	107.4600	0.498	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){4|C<3>}	H(C[5]C[5]2C)	109.9942	1.228	4	109.9942	1.508	4	109.9942	1.508	4	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H){2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.6660	0.000	1	107.6660	0.000	1	107.3990	0.143	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5a]C[5]2)	107.1320	0.000	1	107.1320	0.000	1	107.3990	0.143	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5a]C[5]2)	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	106.7140	0.020	2	106.7140	0.000	2	106.7140	0.000	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<2>,2|C<2>,2|C<3>}	H(C[5]C[5]2C[6])	108.8075	0.347	2	108.8075	0.121	2	108.8075	0.121	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	104.0930	0.000	1	104.0930	0.000	1	104.0930	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:B[5]-3:H-1:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]C[5]2)	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.2050	0.000	1	107.1180	0.015	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.0310	0.000	1	107.1180	0.015	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.9340	0.000	1	106.9340	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.7960	0.206	2	106.7960	0.043	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	104.7480	0.000	1	104.7480	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.2770	0.223	3	108.2915	0.034	4	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.3350	0.000	1	108.2915	0.034	4	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7950	0.000	1	109.4497	2.154	4	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	110.4950	1.336	2	109.4497	2.154	4	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.0140	0.000	1	109.4497	2.154	4	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	105.6255	0.977	2	105.6255	0.954	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.7970	0.000	1	107.7970	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.0980	0.000	1	107.0980	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.2580	0.000	1	108.2235	0.002	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.1890	0.000	1	108.2235	0.002	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.4685	0.735	2	107.4685	0.540	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.5920	0.000	1	108.5920	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.4333	0.572	3	107.4333	0.327	3	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.4580	0.000	1	106.4580	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]2)	108.0960	0.000	1	108.4890	0.309	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.8820	0.000	1	108.4890	0.309	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.1440	0.000	1	109.1440	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.3760	0.000	1	109.3760	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.8540	0.000	1	105.9190	30.968	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	101.9840	0.000	1	105.9190	30.968	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.9730	0.000	1	106.9730	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.5310	0.000	1	105.5310	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.0910	0.000	1	107.0910	0.000	1	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)2(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)2(CC[6a]O)(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	106.2680	1.022	2	106.2680	1.045	2	107.4953	2.679	38	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:F-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.3330	0.000	1	107.3330	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.4030	0.000	1	107.4030	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.2970	0.000	1	106.2970	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.7700	0.000	1	106.7700	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.5970	0.000	1	106.5970	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.7650	0.000	1	107.7650	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|P<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.0270	0.000	1	107.0270	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.2400	0.593	3	107.3957	0.331	4	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.8630	0.000	1	107.3957	0.331	4	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H){2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.3845	0.284	2	107.3845	0.080	2	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.3020	0.000	1	108.3020	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.2430	0.000	1	108.1266	0.549	5	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.1880	0.296	2	108.1266	0.549	5	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.5070	0.297	2	108.1266	0.549	5	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.5140	0.000	1	106.5140	0.000	1	107.4496	0.526	20	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:S[5]-4:C-3:F-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:S[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.6290	0.349	2	107.6290	0.122	2	107.6290	0.122	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H){1|C<4>,3|C<3>}	H(C[5]N[5,5]C[5]C)	109.9045	0.320	2	109.9045	0.103	2	109.9045	0.103	2	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H)	H(C[5]N[5,6]C[4]C[5])	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]N[5,6]C[4]C[5])	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(C[5]N[5,6]C[5]C)	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	H(C[5]C[5]N[5]C)	109.5650	0.160	2	109.5650	0.026	2	109.6883	0.058	3	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	H(C[5]C[5]N[5]C)	109.9350	0.000	1	109.9350	0.000	1	109.6883	0.058	3	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5]N[5a]C[5]2)	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	108.0541	2.118	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	106.8988	0.403	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.8485	0.121	2	106.8485	0.015	2	106.8200	0.412	7	106.8988	0.403	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CNO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CNO)(CN){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.2970	0.000	1	107.2970	0.000	1	106.8200	0.412	7	106.8988	0.403	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.4200	0.041	2	107.4200	0.002	2	106.8200	0.412	7	106.8988	0.403	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	105.9530	0.062	2	105.9530	0.004	2	106.8200	0.412	7	106.8988	0.403	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:3:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2{4|C<3>}	H(C[5]C[5,6a]C[5]C)	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	107.3001	1.367	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.9635	0.049	2	106.9635	0.002	2	107.4844	0.843	7	107.3001	1.367	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.3440	0.000	1	107.3765	0.002	2	107.4844	0.843	7	107.3001	1.367	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.4090	0.000	1	107.3765	0.002	2	107.4844	0.843	7	107.3001	1.367	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.7950	0.000	1	108.7950	0.000	1	107.4844	0.843	7	107.3001	1.367	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.4580	1.665	2	107.4580	2.771	2	107.4844	0.843	7	107.3001	1.367	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.8295	2.538	2	106.8295	6.440	2	106.8295	6.440	2	107.3001	1.367	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	109.5055	0.287	4	109.5055	0.082	4	109.5055	0.082	4	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]2)	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:S-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]S)	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.9045	0.063	2	109.9045	0.004	2	106.7779	65.811	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	106.6620	0.000	1	106.6620	0.000	1	106.7779	65.811	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.2680	0.000	1	110.2680	0.000	1	106.7779	65.811	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	H(C[5]C[5,6a]C[5]C)	110.6620	1.595	2	110.6620	2.545	2	106.7779	65.811	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	84.0197	0.000	1	84.0197	0.000	1	106.7779	65.811	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.9990	0.000	1	108.5653	0.158	3	106.7779	65.811	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(C[5]C[5,6a]C[5]C)	108.3485	0.183	2	108.5653	0.158	3	106.7779	65.811	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	H(C[5]C[5,6a]C[5]C)	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){5|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]2)	109.6460	0.503	2	109.6460	0.253	2	109.4643	0.226	3	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	109.1010	0.000	1	109.1010	0.000	1	109.4643	0.226	3	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	109.1850	0.000	1	109.1850	0.000	1	107.6047	2.217	3	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){5|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[5,6a]C[5]2)	106.8145	0.829	2	106.8145	0.688	2	107.6047	2.217	3	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5]C[6])	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5]2C)	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H){1|C<2>,1|N<3>,4|H<1>}	H(C[5]C[5]3)	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5a]C[5]N[5])	106.2880	0.000	1	106.1207	0.099	3	106.1207	0.099	3	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	106.0370	0.396	2	106.1207	0.099	3	106.1207	0.099	3	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2C[6])	107.6890	0.018	2	107.6890	0.000	2	107.6890	0.000	2	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.6690	0.228	2	108.6690	0.052	2	107.5428	0.715	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.8675	0.170	2	106.8675	0.029	2	107.5428	0.715	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.7410	0.148	2	107.7410	0.022	2	107.5428	0.715	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.4310	0.000	1	106.4310	0.000	1	107.5428	0.715	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.4740	0.000	1	107.4740	0.000	1	107.5428	0.715	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]2)	106.6010	0.000	1	106.6010	0.000	1	107.5428	0.715	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.3670	0.000	1	108.3670	0.000	1	107.5428	0.715	10	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]C)	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	H(C[5]N[5,5a]C[5]C)	109.8170	0.000	1	109.8170	0.000	1	109.4805	0.226	2	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	H(C[5]N[5,5a]C[5]C)	109.1440	0.000	1	109.1440	0.000	1	109.4805	0.226	2	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:1:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5]N[5a]C[5]2)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	108.0645	13.774	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:C-2:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(CN){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	104.8910	0.000	1	104.8910	0.000	1	104.8910	0.000	1	104.8910	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3){2|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3){1|B<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.6820	0.000	1	108.6820	0.000	1	108.1795	1.086	4	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.6995	0.292	2	108.6995	0.085	2	108.1795	1.086	4	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2{2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.6370	0.000	1	106.6370	0.000	1	108.1795	1.086	4	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[4,5]-3:C[5]-4:C-4:H-1:	C[5]-4:S[5]-4:C-4:C-4:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H)	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2	H(C[5]N[4,5]C[5]C)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H){1|C<4>,1|H<1>,3|O<1>}	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[4,5]C[5]C)	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(C[5]C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]B)	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H)	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]Ga)	106.7600	0.000	1	106.7600	0.000	1	107.5730	0.853	7	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]Ga)	108.3440	0.089	2	108.3440	0.008	2	107.5730	0.853	7	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]Ga)	107.3907	1.021	4	107.3907	1.042	4	107.5730	0.853	7	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]Si)	108.5830	0.000	1	108.5830	0.000	1	108.6435	0.007	2	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]Si)	108.7040	0.000	1	108.7040	0.000	1	108.6435	0.007	2	108.1032	0.904	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	3:4:5:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:B-5:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(BLiCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(C[5]C[5]N[5]B)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(BLiCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{3|C<4>}	H(C[5]C[5]N[5]B)	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H){2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	110.0716	0.285	10	110.0716	0.081	10	110.0716	0.081	10	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.8180	0.108	3	110.8180	0.012	3	110.5003	0.082	21	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.2495	0.045	2	110.4474	0.074	18	110.5003	0.082	21	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	109.8305	0.028	2	110.4474	0.074	18	110.5003	0.082	21	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4936	0.071	10	110.4474	0.074	18	110.5003	0.082	21	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{2|C<4>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.6855	0.045	2	110.4474	0.074	18	110.5003	0.082	21	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7930	0.018	2	110.4474	0.074	18	110.5003	0.082	21	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.4602	0.161	6	110.4602	0.026	6	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7276	0.092	16	110.6924	0.024	24	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.2925	0.015	2	110.6924	0.024	24	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8028	0.059	4	110.6924	0.024	24	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.5900	0.020	2	110.6924	0.024	24	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<2>,3|C<3>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7964	0.168	19	110.7730	0.025	27	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.6555	0.052	4	110.7730	0.025	27	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7798	0.159	4	110.7730	0.025	27	110.7061	0.033	57	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4862	0.083	6	110.4862	0.007	6	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.6945	0.006	4	110.6945	0.000	4	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.6393	0.137	10	110.6649	0.019	12	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.7930	0.021	2	110.6649	0.019	12	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.1225	0.651	2	110.1225	0.424	2	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4955	0.056	2	110.4955	0.003	2	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.8030	0.030	2	110.9083	0.636	14	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	111.0445	1.060	8	110.9083	0.636	14	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.5960	0.031	2	110.9083	0.636	14	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.7810	0.008	2	110.9083	0.636	14	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7100	0.075	2	110.7100	0.006	2	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.5720	0.000	1	110.5720	0.000	1	110.6888	0.252	43	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	H(C[5]C[5]S[5]H)	110.7050	0.016	2	110.7050	0.000	2	110.7050	0.000	2	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2{1|C<4>,1|S<2>,3|C<3>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	110.3405	0.019	2	110.3405	0.000	2	110.3405	0.000	2	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2{1|N<3>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H){1|H<1>,1|S<2>,5|C<3>}	H(C[5]C[5]S[5]H)	110.4435	0.189	4	110.4435	0.036	4	110.4435	0.036	4	110.6112	0.139	139	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5])(H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2O[5])(N[5]C[5])(H)2{5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5]){4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.5776	0.032	7	110.5776	0.001	7	110.5776	0.001	7	110.7477	0.516	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1875	0.049	2	110.1875	0.002	2	110.1875	0.002	2	110.7477	0.516	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5])	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5]){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	112.2705	0.671	2	112.2705	0.450	2	112.2705	0.450	2	110.7477	0.516	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5]S[5]H)	110.3805	0.013	2	110.3805	0.000	2	110.3805	0.000	2	110.7477	0.516	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2{1|H<1>,2|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H){2|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.9255	0.009	2	110.9255	0.000	2	110.9255	0.000	2	110.7027	0.066	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|S<1>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.4800	0.018	2	110.4800	0.000	2	110.4800	0.000	2	110.7027	0.066	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2{3|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.5810	0.051	2	110.5810	0.003	2	110.5810	0.003	2	110.5980	0.001	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|S<4>,4|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.6150	0.024	2	110.6150	0.001	2	110.6150	0.001	2	110.5980	0.001	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|S<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|S<2>}	H(C[5]C[5]N[5]H)	113.4670	6.360	2	110.9465	2.421	25	110.9465	2.421	25	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|S<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]N[5]H)	110.1998	0.018	6	110.9465	2.421	25	110.9465	2.421	25	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1650	0.068	3	110.9465	2.421	25	110.9465	2.421	25	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8596	0.322	14	110.9465	2.421	25	110.9465	2.421	25	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{1|C<3>,1|N<3>}	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{3|N<3>}	H(C[5]C[5]N[5]H)	110.2190	0.018	2	110.2190	0.000	2	110.2533	0.006	15	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{1|C<3>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,1|S<1>,1|S<2>}	H(C[5]C[5]N[5]H)	110.3375	0.021	2	110.2710	0.003	6	110.2533	0.006	15	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.2235	0.032	2	110.2710	0.003	6	110.2533	0.006	15	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.2520	0.016	2	110.2710	0.003	6	110.2533	0.006	15	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	110.2600	0.099	4	110.2600	0.010	4	110.2533	0.006	15	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.2320	0.131	3	110.2320	0.017	3	110.2533	0.006	15	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a])(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	109.1120	0.051	2	109.1120	0.003	2	109.1120	0.003	2	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.5910	0.014	2	110.4827	0.017	4	110.4827	0.017	4	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	110.3745	0.063	2	110.4827	0.017	4	110.4827	0.017	4	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4860	0.018	2	110.3143	0.015	7	110.3143	0.015	7	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.2390	0.000	1	110.3143	0.015	7	110.3143	0.015	7	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.2395	0.060	2	110.3143	0.015	7	110.3143	0.015	7	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.2550	0.023	2	110.3143	0.015	7	110.3143	0.015	7	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1000	0.020	2	110.1000	0.000	2	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[5]C[5]O[5]H)	111.7530	0.293	2	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1487	0.031	3	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.1465	0.066	2	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.3601	0.277	11	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	110.0318	0.115	6	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1284	0.176	30	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1545	0.040	2	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.0378	0.034	4	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	109.8725	0.500	2	110.2009	0.129	62	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|C<3>,2|N<2>}	H(C[5]C[5]O[5]H)	112.7045	0.467	2	111.1164	2.157	5	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.0350	0.037	2	111.1164	2.157	5	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1030	0.000	1	111.1164	2.157	5	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	109.8265	0.047	2	109.8265	0.002	2	110.2519	0.297	71	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{3|C<3>}	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.6470	0.033	2	110.6470	0.001	2	110.6470	0.001	2	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5]O[5]H)	112.4000	0.505	2	112.4248	5.207	4	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|S<4>,2|C<4>}	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{2|O<1>,3|C<4>}	H(C[5]C[5]O[5]H)	112.4495	3.919	2	112.4248	5.207	4	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.0900	0.025	2	110.4658	0.139	6	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.5395	0.021	2	110.4658	0.139	6	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<6>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<6>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.4390	0.000	1	110.4658	0.139	6	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	111.0970	0.000	1	110.4658	0.139	6	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|Se<2>,1|C<3>}	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.5528	0.282	6	110.5528	0.080	6	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4085	0.140	6	110.4085	0.020	6	110.8301	1.396	22	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	111.4202	1.393	6	111.4202	1.940	6	110.8542	1.127	13	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	110.5090	0.000	1	110.5090	0.000	1	110.8542	1.127	13	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.3155	0.275	4	110.3155	0.076	4	110.8542	1.127	13	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2{1|C<3>,1|N<3>,1|S<1>}	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2{1|N<3>,1|S<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.4060	0.020	2	110.4060	0.000	2	110.8542	1.127	13	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2{1|S<4>,2|C<3>}	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.5700	0.035	2	110.5700	0.001	2	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4150	0.007	2	110.4150	0.000	2	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.5520	0.000	1	111.6894	1.718	11	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	111.0817	0.763	6	111.6894	1.718	11	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	112.8852	1.296	4	111.6894	1.718	11	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.7549	0.084	8	110.6086	0.054	12	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.3160	0.108	4	110.6086	0.054	12	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	110.5830	0.000	1	110.5830	0.000	1	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.6837	0.117	6	110.7021	0.033	12	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4330	0.008	2	110.7021	0.033	12	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<4>,2|N<2>}	H(C[5]C[5]O[5]H)	110.9630	0.006	2	110.7021	0.033	12	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|Re<6>,2|C<3>}	H(C[5]C[5]O[5]H)	110.7655	0.033	2	110.7021	0.033	12	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|C<4>,2|N<2>}	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	110.3552	0.264	17	110.3552	0.070	17	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	110.1160	0.000	1	110.1160	0.000	1	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|S<1>,2|C<3>}	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2{1|S<1>,3|C<3>}	H(C[5]C[5]O[5]H)	109.6425	0.425	8	109.6425	0.181	8	110.6085	0.651	66	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2{2|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]S[5]H)	109.0640	0.044	2	109.0640	0.002	2	109.0640	0.002	2	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]S[5]H)	109.7835	0.005	2	110.8967	2.490	4	110.6856	1.514	8	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	112.0100	1.585	2	110.8967	2.490	4	110.6856	1.514	8	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{1|C<3>,2|N<2>}	H(C[5]C[5]S[5]H)	110.0245	1.401	2	110.4745	0.925	4	110.6856	1.514	8	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{3|C<3>}	H(C[5]C[5]S[5]H)	110.9245	0.040	2	110.4745	0.925	4	110.6856	1.514	8	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	H(C[5]C[5]S[5]H)	110.7605	0.087	15	110.7605	0.008	15	110.7605	0.008	15	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]S[5]H)	111.0232	0.086	4	111.0232	0.007	4	111.6297	2.852	6	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]S[5]H)	112.8425	3.135	2	112.8425	9.826	2	111.6297	2.852	6	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]S[5]H)	109.8915	0.009	2	109.8915	0.000	2	112.4433	7.341	6	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]S[5]H)	113.7193	2.392	4	113.7193	5.722	4	112.4433	7.341	6	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]S[5]H)	110.5005	0.008	2	110.0854	0.290	8	109.8829	1.897	20	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]S[5]H)	109.9470	0.561	6	110.0854	0.290	8	109.8829	1.897	20	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]H)	110.2645	0.298	4	110.4822	0.114	10	109.8829	1.897	20	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|S<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]S[5]H)	110.7562	0.284	4	110.4822	0.114	10	109.8829	1.897	20	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	110.3695	0.016	2	110.4822	0.114	10	109.8829	1.897	20	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|N<2>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,2|O<1>}	H(C[5]C[5]S[5]H)	106.0760	0.287	2	106.0760	0.082	2	109.8829	1.897	20	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[5]C[5]S[5]H)	109.9415	0.105	6	109.9974	0.156	14	110.0828	0.147	18	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]S[5]H)	110.0394	0.527	8	109.9974	0.156	14	110.0828	0.147	18	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|N<2>}	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]S[5]H)	110.3817	0.033	4	110.3817	0.001	4	110.0828	0.147	18	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]S[5]H)	110.8520	0.020	2	110.8551	7.400	16	110.4249	4.226	30	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{3|C<3>}	H(C[5]C[5]S[5]H)	110.8556	2.922	14	110.8551	7.400	16	110.4249	4.226	30	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2{1|H<1>,2|N<2>}	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2{2|N<2>}	H(C[5]C[5]S[5]H)	109.9332	0.632	14	109.9332	0.400	14	110.4249	4.226	30	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	S[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2	C[5](S[4,5]Ga[4,5]2)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2{1|Ga<4>,1|C<4>,1|S<3>}	C[5](S[4,5]Ga[4,5]2)(C[5]S[5]HH)(H)2{1|S<2>,1|S<3>,2|C<4>}	H(C[5]C[5]S[5]H)	108.9350	0.010	2	108.9350	0.000	2	108.9350	0.000	2	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	S[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<4>}	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]S[5]H)	109.7505	0.021	2	109.7505	0.000	2	109.7505	0.000	2	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:1:1:	4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2	H(C[5]Se[5]C[5]H)	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2{2|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2{1|C<3>,1|S<2>}	H(C[5]Se[5]C[5]H)	109.9630	0.037	2	109.9630	0.001	2	109.9630	0.001	2	110.4946	1.364	338	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7480	0.049	2	110.7480	0.002	2	110.7480	0.002	2	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1595	0.012	2	110.1595	0.000	2	110.1595	0.000	2	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<2>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	111.3165	0.006	2	111.3165	0.000	2	111.3165	0.000	2	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.9303	1.052	4	111.1981	1.184	39	111.1981	1.184	39	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	112.8635	2.121	4	111.1981	1.184	39	111.1981	1.184	39	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	111.0177	0.725	31	111.1981	1.184	39	111.1981	1.184	39	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2{1|B<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6915	0.056	6	110.6915	0.003	6	110.7621	0.038	7	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	111.1860	0.000	1	111.1860	0.000	1	110.7621	0.038	7	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	109.0550	0.045	2	109.0550	0.002	2	109.0550	0.002	2	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	110.6615	0.012	2	110.6615	0.000	2	110.6615	0.000	2	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	109.7560	0.000	1	110.0284	0.046	5	110.0284	0.046	5	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	110.0965	0.173	4	110.0284	0.046	5	110.0284	0.046	5	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HO)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|S<1>,2|C<3>}	H(C[5]C[5]S[5]H)	110.4125	0.016	2	110.4125	0.000	2	110.4125	0.000	2	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	111.3941	1.387	21	111.3941	1.923	21	111.3941	1.923	21	111.0260	1.252	84	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:2:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	110.1180	0.013	2	110.1180	0.000	2	110.1180	0.000	2	110.1180	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	112.6945	1.635	6	112.3106	2.414	8	112.0393	2.205	10	112.0393	2.205	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	111.1590	0.016	2	112.3106	2.414	8	112.0393	2.205	10	112.0393	2.205	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.9540	0.004	2	110.9540	0.000	2	112.0393	2.205	10	112.0393	2.205	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:F-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	H(C[5]C[5]O[5]F)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]F)	113.7955	4.950	2	113.7955	24.507	2	113.7955	24.507	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	110.2845	0.025	2	110.2845	0.001	2	110.2845	0.001	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	H(C[5]C[5]O[5]H)	110.8845	0.035	2	110.8845	0.001	2	110.8845	0.001	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.4325	0.032	2	110.4582	0.001	5	110.4582	0.001	5	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4450	0.000	1	110.4582	0.001	5	110.4582	0.001	5	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4905	0.015	2	110.4582	0.001	5	110.4582	0.001	5	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	112.3786	1.455	7	112.3786	2.117	7	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.5890	0.044	2	110.5827	0.001	6	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.5795	0.040	4	110.5827	0.001	6	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4260	0.000	1	110.6620	0.536	72	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	112.2602	1.998	4	110.6620	0.536	72	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8323	0.170	8	110.6620	0.536	72	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7010	0.034	2	110.6620	0.536	72	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5049	0.512	53	110.6620	0.536	72	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5715	0.013	2	110.6620	0.536	72	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	111.1155	0.009	2	110.6620	0.536	72	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Co<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	111.0768	0.155	4	111.0768	0.024	4	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.6642	0.116	4	110.7189	0.066	10	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7553	0.328	6	110.7189	0.066	10	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8850	0.096	4	110.8331	0.039	91	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<5>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8175	0.088	10	110.8331	0.039	91	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<6>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8325	0.211	77	110.8331	0.039	91	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.9055	0.016	2	110.5263	1.692	8	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2745	3.358	2	110.5263	1.692	8	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4625	0.211	4	110.5263	1.692	8	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<3>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9075	0.081	4	110.9105	0.012	28	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8769	0.097	13	110.9105	0.012	28	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.9513	0.121	11	110.9105	0.012	28	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8076	0.227	26	110.7813	0.039	49	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7516	0.155	23	110.7813	0.039	49	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pt<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.3390	0.081	2	110.3390	0.006	2	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Rh<6>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8958	0.130	6	110.8958	0.017	6	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<6>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.9072	0.224	11	111.0511	0.093	17	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	111.3150	0.262	6	111.0511	0.093	17	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,1|S<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4715	0.019	2	109.9825	0.319	4	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|Sn<4>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	109.4935	0.005	2	109.9825	0.319	4	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8183	0.184	3	110.8183	0.034	3	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.9138	0.125	6	110.8749	0.026	64	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	111.0835	0.039	2	110.8749	0.026	64	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8633	0.163	56	110.8749	0.026	64	110.8232	0.265	371	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	110.9020	0.042	2	110.9020	0.002	2	110.9020	0.002	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	H(C[5]C[5]O[5]H)	110.4890	0.059	2	110.4890	0.004	2	110.4890	0.004	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	110.7340	0.018	2	110.7340	0.000	2	110.7340	0.000	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	110.7505	0.084	4	110.7505	0.007	4	110.7505	0.007	4	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	110.2080	0.045	2	110.2080	0.002	2	110.2080	0.002	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	110.8980	0.020	2	110.8980	0.000	2	110.5710	0.057	8	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	110.2745	0.018	2	110.2745	0.000	2	110.5710	0.057	8	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|Ni<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	110.5558	0.046	4	110.5558	0.002	4	110.5710	0.057	8	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]S[5]H)	110.9825	0.490	2	110.9825	0.240	2	110.9825	0.240	2	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]S[5]H)	110.8041	0.160	7	110.8041	0.026	7	110.8041	0.026	7	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	H(C[5]C[5]S[5]H)	110.1172	0.694	12	110.1172	0.481	12	110.1172	0.481	12	110.8011	0.367	423	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3790	0.041	2	110.2943	0.090	6	110.2943	0.090	6	110.2943	0.090	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.2520	0.376	4	110.2943	0.090	6	110.2943	0.090	6	110.2943	0.090	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:3:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2{1|H<1>,2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	110.6975	0.067	2	110.6975	0.005	2	110.6975	0.005	2	110.6975	0.005	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5187	0.098	4	110.5187	0.010	4	110.5187	0.010	4	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	H(C[5]C[5]O[5]Cl)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]O[5]Cl)	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.0780	0.004	2	110.1637	0.008	8	110.1637	0.008	8	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	110.1420	0.021	2	110.1637	0.008	8	110.1637	0.008	8	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.2175	0.096	4	110.1637	0.008	8	110.1637	0.008	8	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H){3|C<3>}	H(C[5]C[5]O[5]H)	110.1865	0.011	2	110.1865	0.000	2	110.1608	0.041	20	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	H(C[5]C[5]O[5]H)	109.9445	0.280	4	109.9445	0.078	4	110.1608	0.041	20	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.3010	0.035	2	110.3010	0.001	2	110.1608	0.041	20	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	109.9080	0.058	2	109.9080	0.003	2	110.1608	0.041	20	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.2760	0.028	2	110.2760	0.001	2	110.1608	0.041	20	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.2193	0.080	6	110.2619	0.011	8	110.1608	0.041	20	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	H(C[5]C[5]O[5]H)	110.3895	0.006	2	110.2619	0.011	8	110.1608	0.041	20	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.7445	0.005	2	110.7445	0.000	2	110.7445	0.000	2	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.8400	0.004	2	110.8400	0.000	2	110.6331	0.075	10	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.8335	0.019	2	110.5779	0.095	7	110.6331	0.075	10	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.4756	0.310	5	110.5779	0.095	7	110.6331	0.075	10	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[5]O[5]H)	110.6060	0.000	1	110.6060	0.000	1	110.6331	0.075	10	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CC3)(H){1|B<4>,1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	110.7017	0.028	3	110.7017	0.001	3	110.5026	0.262	24	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|B<4>,1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	110.3765	0.152	11	110.4197	0.295	19	110.5026	0.262	24	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	110.7430	1.210	4	110.4197	0.295	19	110.5026	0.262	24	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|N<3>,1|P<3>}	H(C[5]C[5]O[5]H)	110.2155	0.157	4	110.4197	0.295	19	110.5026	0.262	24	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5]O[5]H)	110.9910	0.025	2	110.9910	0.001	2	110.5026	0.262	24	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.5785	0.064	4	110.5785	0.004	4	110.6291	0.112	8	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.6797	0.501	4	110.6797	0.251	4	110.6291	0.112	8	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	112.0975	0.105	2	112.0975	0.011	2	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.7438	0.341	6	110.7438	0.116	6	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.6610	0.047	2	110.6610	0.002	2	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	110.5230	0.013	2	110.5230	0.000	2	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.6685	0.065	4	110.6685	0.004	4	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.2580	0.055	2	110.4460	0.049	4	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.6340	0.045	2	110.4460	0.049	4	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<1>}	H(C[5]C[5]O[5]H)	110.5050	0.199	4	110.5050	0.039	4	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	110.6347	0.091	6	110.6347	0.008	6	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	110.4545	0.025	2	110.4545	0.001	2	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	110.5385	0.015	2	110.5385	0.000	2	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.5335	0.019	2	110.4787	0.015	6	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	110.4513	0.149	4	110.4787	0.015	6	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.4735	0.025	2	110.4735	0.001	2	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.6038	0.166	4	110.6038	0.028	4	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H){2|N<2>}	H(C[5]C[5]O[5]H)	110.1342	0.103	6	110.1342	0.011	6	110.5834	0.144	52	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5]O[5]H)	110.6792	0.075	6	110.6792	0.006	6	110.6792	0.006	6	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	110.8920	0.072	2	110.8920	0.005	2	110.4998	0.061	9	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3877	0.121	7	110.3877	0.015	7	110.4998	0.061	9	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	H(C[5]C[5]S[5]H)	110.3538	0.256	6	110.3538	0.065	6	110.3538	0.065	6	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	110.0825	0.026	2	110.0825	0.001	2	110.0825	0.001	2	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H){1|C<4>,1|N<2>,1|S<1>}	H(C[5]C[5]S[5]H)	110.5125	0.028	2	110.5125	0.001	2	110.5125	0.001	2	110.4839	0.138	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.2595	0.030	2	110.2595	0.001	2	110.2595	0.001	2	111.2152	3.081	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5]){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]O[5]H)	113.6895	2.040	2	113.6895	4.162	2	113.6895	4.162	2	111.2152	3.081	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]N[5a]C[5]O[5])(O[5]C[5])(H)2	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,1|S<1>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.9625	0.029	2	110.9625	0.001	2	110.9625	0.001	2	111.2152	3.081	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:2:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CO)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH){1|N<3>,2|C<3>}	H(C[5]C[5]S[5]H)	109.9495	0.005	2	109.9495	0.000	2	109.9495	0.000	2	111.2152	3.081	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.9677	0.012	3	110.9677	0.000	3	111.0644	0.018	5	110.8827	0.361	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO){1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	111.2095	0.039	2	111.2095	0.002	2	111.0644	0.018	5	110.8827	0.361	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	111.2590	0.204	4	111.2590	0.042	4	111.2270	0.435	8	110.8827	0.361	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	111.1950	0.985	4	111.1950	0.971	4	111.2270	0.435	8	110.8827	0.361	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	110.2290	0.046	3	110.2290	0.002	3	110.2290	0.002	3	110.8827	0.361	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,2|N<2>,3|H<1>}	H(C[5]C[5]O[5]H)	110.3680	0.018	2	110.3680	0.000	2	110.3680	0.000	2	110.8827	0.361	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]O[5]H)	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.8827	0.361	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.3840	0.008	2	110.3840	0.000	2	110.1586	0.037	16	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	109.8720	0.086	2	109.8720	0.007	2	110.1586	0.037	16	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1780	0.047	2	110.1780	0.002	2	110.1586	0.037	16	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	H(C[5]C[5]O[5]H)	110.3023	0.030	3	110.3023	0.001	3	110.1586	0.037	16	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3){3|C<3>}	H(C[5]C[5]O[5]H)	110.2943	0.052	3	110.2943	0.003	3	110.1586	0.037	16	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	H(C[5]C[5]O[5]H)	109.9698	0.062	4	109.9698	0.004	4	110.1586	0.037	16	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4985	0.005	2	110.4985	0.000	2	110.5405	0.001	6	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5615	0.026	4	110.5615	0.001	4	110.5405	0.001	6	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	110.4785	0.027	4	110.4359	0.004	7	110.5158	0.092	62	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2{1|Pd<4>,1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	110.3790	0.041	3	110.4359	0.004	7	110.5158	0.092	62	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	110.3538	0.091	4	110.4204	0.044	45	110.5158	0.092	62	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2{1|Ga<4>,1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	110.3361	0.183	13	110.4204	0.044	45	110.5158	0.092	62	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2{1|Rh<4>,1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	110.4691	0.221	28	110.4204	0.044	45	110.5158	0.092	62	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,1|O<2>}	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	111.1425	0.079	8	111.1425	0.006	8	110.5158	0.092	62	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|Se<2>,1|C<3>}	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(CH3)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.4340	0.030	2	110.4340	0.001	2	110.5158	0.092	62	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,6,6a]CC)(O[5]C[5,6,6a])(H)2	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6,6a]CC)(O[5]C[5,6,6a])(H)2{2|B<4>}	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	110.5104	0.088	11	110.5104	0.008	11	110.5104	0.008	11	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	C[5](N[5,6]B[5a,6]C[5,6])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{1|B<4>,1|C<3>}	C[5](N[5,6]B[5a,6]C[5,6])(C[5]O[5]HH)(CH3)2{1|C<3>,1|N<3>,2|O<2>}	H(C[5]C[5]O[5]H)	113.9423	1.801	4	113.9423	3.242	4	112.0261	3.822	10	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]B[6])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{1|B<4>,1|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]O[5]HH)(CH3)2{1|C<3>,1|N<3>,2|F<1>}	H(C[5]C[5]O[5]H)	110.9260	0.036	3	110.9260	0.001	3	112.0261	3.822	10	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	110.5713	0.019	3	110.5713	0.000	3	112.0261	3.822	10	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,6a]CC)(O[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6a]CC)(O[5]C[5,6a])(H)2{2|B<4>}	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	110.9417	0.148	8	110.9417	0.022	8	110.9417	0.022	8	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	112.0690	0.037	2	112.0690	0.001	2	112.0690	0.001	2	110.6548	0.611	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.1684	0.396	8	111.5573	3.693	18	111.5573	3.693	18	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	112.1910	3.403	6	111.5573	3.693	18	111.5573	3.693	18	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|S<2>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	111.3845	0.102	4	111.5573	3.693	18	111.5573	3.693	18	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.1026	0.856	67	111.0503	0.665	81	111.0333	0.661	83	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	110.6784	0.478	12	111.0503	0.665	81	111.0333	0.661	83	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|N<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	111.5300	0.007	2	111.0503	0.665	81	111.0333	0.661	83	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2{2|N<2>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]N[5]H)	110.3455	0.018	2	110.3455	0.000	2	111.0333	0.661	83	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	109.2710	0.042	2	109.4123	0.505	38	109.4123	0.505	38	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<4>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	109.2195	0.043	2	109.4123	0.505	38	109.4123	0.505	38	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|N<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	109.5696	0.369	10	109.4123	0.505	38	109.4123	0.505	38	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	109.1285	4.003	2	109.4123	0.505	38	109.4123	0.505	38	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	109.3970	0.209	22	109.4123	0.505	38	109.4123	0.505	38	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	111.6105	1.800	74	111.4890	2.733	90	111.4468	2.754	92	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9540	0.170	14	111.4890	2.733	90	111.4468	2.754	92	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|N<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	110.7390	0.037	2	111.4890	2.733	90	111.4468	2.754	92	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	109.5470	0.006	2	109.5470	0.000	2	111.4468	2.754	92	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<3>,1|N<3>}	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	110.6836	0.136	7	111.6983	3.548	11	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<4>,1|N<4>}	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<4>,1|N<4>}	H(C[5]C[5]O[5]H)	113.4740	2.276	4	111.6983	3.548	11	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>,1|C<3>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>,1|C<3>}	H(C[5]C[5]O[5]H)	110.3510	0.230	4	110.7372	0.027	66	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>}	H(C[5]C[5]O[5]H)	110.8215	0.042	4	110.7372	0.027	66	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<4>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.6665	0.023	4	110.7372	0.027	66	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>,1|O<2>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	110.8693	0.081	7	110.7372	0.027	66	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7758	0.070	9	110.7372	0.027	66	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.6993	0.106	32	110.7372	0.027	66	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.9763	0.034	6	110.7372	0.027	66	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	111.3011	1.318	20	111.3011	1.737	20	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.5027	0.461	4	110.5027	0.212	4	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	111.3738	2.867	16	111.0555	1.177	225	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	111.1642	0.108	16	111.0555	1.177	225	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	111.1483	1.369	49	111.0555	1.177	225	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	110.9765	0.575	144	111.0555	1.177	225	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.8984	0.401	76	110.9620	0.690	535	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	111.1395	0.188	4	110.9620	0.690	535	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	110.7918	0.266	4	110.9620	0.690	535	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.7404	0.194	21	110.9620	0.690	535	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.7810	0.124	5	110.9620	0.690	535	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	110.9864	0.913	425	110.9620	0.690	535	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.9031	0.739	50	111.0210	1.386	401	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8728	0.211	76	111.0210	1.386	401	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	111.1570	0.075	7	111.0210	1.386	401	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	111.0060	1.697	132	111.0210	1.386	401	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|O<2>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|O<2>}	H(C[5]C[5]O[5]H)	111.3969	0.714	31	111.0210	1.386	401	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	111.0833	1.095	105	111.0210	1.386	401	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	110.8388	0.076	13	110.8388	0.006	13	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	110.7930	0.051	3	110.4322	0.091	32	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.4247	0.289	7	110.4322	0.091	32	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]O[5]H)	110.6950	0.146	7	110.4322	0.091	32	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<3>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	110.0799	0.041	8	110.4322	0.091	32	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|Rh<4>,1|N<3>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|Rh<4>,1|N<3>}	H(C[5]C[5]O[5]H)	110.4249	0.229	7	110.4322	0.091	32	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2{2|O<1>}	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2{2|O<1>}	H(C[5]C[5]O[5]H)	110.5677	0.018	3	110.5677	0.000	3	110.9797	0.982	1310	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.1084	0.203	11	110.0401	0.061	16	110.1204	0.281	18	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	109.8900	0.294	5	110.0401	0.061	16	110.1204	0.281	18	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]S[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	C[5](C[5]O[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]O[5]H)	110.7630	1.710	2	110.7630	2.923	2	110.1204	0.281	18	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.1800	0.023	2	110.5773	0.764	35	110.5773	0.764	35	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]S[5]H)	110.2805	0.009	2	110.5773	0.764	35	110.5773	0.764	35	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	110.4589	0.226	8	110.5773	0.764	35	110.5773	0.764	35	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	112.4400	4.152	2	110.5773	0.764	35	110.5773	0.764	35	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]S[5]H)	110.5110	0.192	21	110.5773	0.764	35	110.5773	0.764	35	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	110.8308	0.172	12	110.7451	0.055	18	110.8233	0.454	20	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	110.5735	0.261	6	110.7451	0.055	18	110.8233	0.454	20	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	C[5](C[5]S[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]S[5]H)	111.5270	2.570	2	111.5270	6.603	2	110.8233	0.454	20	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	108.1515	0.129	8	108.6760	0.823	11	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	110.0747	0.147	3	108.6760	0.823	11	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	109.5201	8.607	31	109.6600	43.938	52	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	109.8723	0.219	6	109.6600	43.938	52	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	109.8642	1.088	15	109.6600	43.938	52	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	110.0733	0.423	8	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	112.5365	6.911	4	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	109.8157	1.028	93	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	109.6369	0.261	8	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	109.8238	0.194	4	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<2>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<2>}	H(C[5]C[5]S[5]H)	110.0733	0.126	33	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	109.6953	0.635	28	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]S[5]H)	111.4200	1.199	4	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	112.3494	3.657	8	110.0439	2.309	190	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|C<4>,1|S<1>}	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]S[5]H)	109.6624	0.073	7	109.7204	0.058	22	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]S[5]H)	109.6604	0.330	8	109.7204	0.058	22	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<3>,1|S<1>}	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<3>,1|S<1>}	H(C[5]C[5]S[5]H)	109.8469	0.209	7	109.7204	0.058	22	109.8907	9.894	275	110.8029	2.557	1889	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HO)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HO)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	111.0695	2.555	2	111.0695	6.527	2	111.0695	6.527	2	111.0695	6.527	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:3:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H){1|C<3>}	H(C[5]C[5]N[5]H)	110.7325	0.058	4	110.7325	0.003	4	110.7325	0.003	4	111.2493	7.799	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CNO)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.0910	0.024	2	111.0910	0.001	2	111.0910	0.001	2	111.2493	7.799	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.3555	0.039	2	111.3555	0.002	2	111.6236	14.347	10	111.2493	7.799	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.6960	0.016	2	110.6960	0.000	2	111.6236	14.347	10	111.2493	7.799	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.1030	0.083	4	111.1030	0.007	4	111.6236	14.347	10	111.2493	7.799	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H){2|C<4>}	H(C[5]C[5]O[5]H)	113.8605	10.777	2	113.8605	116.144	2	111.6236	14.347	10	111.2493	7.799	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H){1|C<3>}	H(C[5]C[5]S[5]H)	110.5695	0.036	2	110.5695	0.001	2	110.5695	0.001	2	111.2493	7.799	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<3>}	H(C[5]C[5]N[5]H)	110.7940	0.013	2	110.7940	0.000	2	110.7763	0.001	4	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>}	H(C[5]C[5]N[5]H)	110.7585	0.035	2	110.7585	0.001	2	110.7763	0.001	4	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5])(H)2{1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H){1|S<2>}	H(C[5]C[5]N[5]H)	109.3885	0.016	2	109.3885	0.000	2	109.3885	0.000	2	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7681	0.086	8	111.3192	2.074	14	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	112.0540	2.061	6	111.3192	2.074	14	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.1152	0.819	56	111.0630	2.227	100	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9965	2.065	44	111.0630	2.227	100	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9460	0.000	1	110.9460	0.000	1	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8015	0.140	8	110.8486	0.025	10	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	111.0370	0.021	2	110.8486	0.025	10	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9490	0.026	5	110.9356	0.001	7	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9020	0.011	2	110.9356	0.001	7	111.0663	1.902	132	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	H(C[5]C[5]O[5]H)	111.7698	0.777	6	111.7698	0.604	6	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0744	0.152	8	111.0744	0.023	8	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9417	0.286	11	110.9417	0.082	11	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.1582	0.051	6	111.1582	0.003	6	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	H(C[5]C[5]O[5]H)	112.1960	0.076	2	112.1960	0.006	2	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.2795	0.028	2	111.2795	0.001	2	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.9430	0.000	1	110.8364	0.038	7	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.8187	0.207	6	110.8364	0.038	7	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	111.2335	0.033	4	111.2335	0.001	4	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	H(C[5]C[5]O[5]H)	110.9068	0.118	4	110.9068	0.014	4	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.7280	0.025	2	110.7280	0.001	2	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9518	0.045	8	110.9518	0.002	8	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	111.0315	0.022	2	111.0788	0.181	25	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	H(C[5]C[5]O[5]H)	110.7230	0.014	2	111.0788	0.181	25	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.1172	0.450	21	111.0788	0.181	25	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.7315	0.005	2	110.7315	0.000	2	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.4865	0.006	2	110.4865	0.000	2	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.9547	0.056	3	111.0264	0.445	21	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0384	0.723	18	111.0264	0.445	21	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.1238	1.916	6	111.1238	3.673	6	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.8692	0.243	6	110.8692	0.059	6	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0960	0.000	1	111.0960	0.000	1	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	111.3083	0.095	14	111.2108	0.023	29	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.9420	0.017	2	111.2108	0.023	29	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.1472	0.126	13	111.2108	0.023	29	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H){1|O<1>}	H(C[5]C[5]O[5]H)	111.0970	0.000	1	111.0970	0.000	1	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9120	0.006	2	110.9120	0.000	2	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	111.4525	0.189	2	111.4525	0.036	2	111.0950	0.293	157	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	H(C[5]C[5]S[5]H)	110.6965	0.142	4	110.6965	0.020	4	110.6965	0.020	4	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H){1|C<3>}	H(C[5]C[5]S[5]H)	110.0505	0.046	2	110.0505	0.002	2	109.9365	0.018	4	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|S<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H){1|S<1>}	H(C[5]C[5]S[5]H)	109.8225	0.009	2	109.8225	0.000	2	109.9365	0.018	4	111.0465	1.015	303	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:3:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO){1|C<3>}	H(C[5]C[5]S[5]H)	110.7610	0.013	2	110.7610	0.000	2	110.5868	0.118	6	110.5868	0.118	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:3:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>}	H(C[5]C[5]S[5]H)	110.4998	0.407	4	110.4998	0.166	4	110.5868	0.118	6	110.5868	0.118	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CC)(N[5]C[5])(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|C<3>}	H(C[5]C[5]N[5]H)	109.4255	0.005	2	109.4255	0.000	2	109.4255	0.000	2	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3){1|C<4>}	H(C[5]C[5]O[5]H)	110.7646	0.126	11	110.7646	0.016	11	110.8932	0.518	100	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.7473	0.104	21	110.9116	0.592	87	110.8932	0.518	100	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	111.0495	1.052	45	110.9116	0.592	87	110.8932	0.518	100	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.7805	0.112	21	110.9116	0.592	87	110.8932	0.518	100	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7965	0.005	2	110.7965	0.000	2	110.8932	0.518	100	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CC)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	H(C[5]C[5]O[5]H)	111.2308	0.039	4	111.2308	0.002	4	111.2308	0.002	4	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2{1|N<3>}	H(C[5]C[5]S[5]H)	110.3935	1.049	2	110.3935	1.100	2	110.3935	1.100	2	110.8692	0.538	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	109.8720	0.023	2	109.8720	0.001	2	109.8720	0.001	2	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|S<1>,2|N<2>}	H(C[5]C[5]N[5]H)	109.2380	0.236	2	109.2380	0.056	2	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.0930	0.052	2	111.7123	1.406	10	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	113.6280	1.523	2	111.7123	1.406	10	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	110.6740	0.024	2	111.7123	1.406	10	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|W<6>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|W<6>}	H(C[5]C[5]N[5]H)	111.5832	0.028	4	111.7123	1.406	10	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	108.0800	1.218	2	108.0800	1.483	2	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	110.8977	0.933	38	111.1043	1.424	58	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	111.3342	0.995	4	111.1043	1.424	58	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	110.8673	1.827	6	111.1043	1.424	58	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	111.3299	0.167	8	111.1043	1.424	58	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|O<2>}	H(C[5]C[5]N[5]H)	114.3795	2.252	2	111.1043	1.424	58	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	110.3183	0.073	3	110.3183	0.005	3	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.3710	0.047	2	111.3710	0.002	2	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Ru<9>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.4520	0.025	2	111.4520	0.001	2	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.3500	0.045	4	111.3500	0.002	4	111.0580	1.544	83	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(C[5]B[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]B[5])(H)2{1|C<3>,1|N<3>}	C[5](C[5]O[5]HH)(C[5]B[5]C)(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	110.1645	0.124	2	110.1645	0.015	2	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.1718	0.050	4	110.1718	0.003	4	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]O[5]H)	112.4085	0.448	2	110.1079	1.764	29	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	109.7766	1.416	19	110.1079	1.764	29	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.3194	0.101	8	110.1079	1.764	29	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.3895	0.022	2	111.5974	3.622	32	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Si<4>,1|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Si<4>}	H(C[5]C[5]O[5]H)	111.8836	1.633	21	111.5974	3.622	32	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{2|H<1>}	H(C[5]C[5]O[5]H)	111.1982	2.571	9	111.5974	3.622	32	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|I<1>}	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.3575	0.049	2	110.3575	0.002	2	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(C[5]P[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|Mo<6>,2|C<3>}	C[5](C[5]O[5]HH)(C[5]P[5]C)(H)2{1|Mo<6>,1|C<3>}	H(C[5]C[5]O[5]H)	109.7258	0.209	4	109.7258	0.044	4	110.7518	2.824	73	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	110.6728	0.141	6	110.5901	0.021	14	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.6175	0.022	4	110.5901	0.021	14	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.4387	0.116	4	110.5901	0.021	14	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Al)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Al<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Al)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7097	0.149	6	110.7097	0.022	6	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<2>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	111.3420	1.314	4	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]O[5]H)	110.7040	8.111	2	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.6937	0.934	142	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	H(C[5]C[5]O[5]H)	110.9030	0.054	4	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.8475	0.008	2	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|H<1>}	H(C[5]C[5]O[5]H)	110.8975	0.043	2	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]O[5]H)	110.6735	0.013	2	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.9395	1.047	65	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.7763	0.041	6	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8215	0.005	2	110.7840	1.167	231	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cd)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Cd)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9175	0.011	2	110.9175	0.000	2	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9782	0.281	10	110.9164	0.046	19	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8510	0.024	2	110.9164	0.046	19	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8467	0.081	7	110.9164	0.046	19	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<2>,1|O<2>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2{1|O<2>}	H(C[5]C[5]O[5]H)	110.9597	0.141	7	110.9347	0.017	9	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<4>,1|N<2>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2{1|N<2>}	H(C[5]C[5]O[5]H)	110.8470	0.016	2	110.9347	0.017	9	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7349	0.121	38	110.7547	0.018	42	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9430	0.120	4	110.7547	0.018	42	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7046	0.178	7	111.6844	3.738	56	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<2>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	H(C[5]C[5]O[5]H)	110.7300	0.092	3	111.6844	3.738	56	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	111.9075	2.107	44	111.6844	3.738	56	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	111.6365	1.675	2	111.6844	3.738	56	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8951	0.968	17	110.8920	0.833	19	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8660	0.057	2	110.8920	0.833	19	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Mn<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8475	0.009	2	110.8475	0.000	2	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7297	0.140	12	110.7826	0.024	16	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9415	0.058	4	110.7826	0.024	16	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Os)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Os<9>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Os)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7490	0.000	1	110.7490	0.000	1	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|P<4>}	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.2245	0.071	2	110.2245	0.005	2	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8783	0.109	21	110.8438	0.028	43	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.8138	0.120	17	110.8438	0.028	43	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	111.0490	0.306	3	110.8438	0.028	43	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.4295	0.057	2	110.8438	0.028	43	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.7839	0.144	10	110.7839	0.021	10	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8486	0.174	30	110.8605	0.030	35	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9320	0.164	5	110.8605	0.030	35	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7560	0.031	2	110.9562	0.055	4	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	111.1565	0.049	2	110.9562	0.055	4	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7107	0.038	3	111.4591	0.877	11	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	111.0795	0.069	2	111.4591	0.877	11	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|N<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	112.4365	0.924	4	111.4591	0.877	11	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	111.0065	0.070	2	111.4591	0.877	11	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|B<4>,1|C<4>,1|O<2>}	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.6525	0.088	2	110.6525	0.008	2	110.9067	1.047	524	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|Mg<6>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5]Mg)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	111.1580	0.313	7	111.1580	0.098	7	111.1580	0.098	7	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<2>,1|N<3>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	109.8435	0.042	2	109.8435	0.002	2	109.8435	0.002	2	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|O<1>,1|S<2>}	H(C[5]C[5]S[5]H)	109.8640	0.007	2	108.6815	2.068	4	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|S<1>,1|S<2>}	H(C[5]C[5]S[5]H)	107.4990	0.781	2	108.6815	2.068	4	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|B<4>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2{1|S<2>}	H(C[5]C[5]S[5]H)	110.8640	0.097	4	110.8640	0.009	4	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	110.8515	0.412	2	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.4770	0.708	4	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]S[5]H)	110.7634	0.130	8	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]S[5]H)	110.7283	1.690	24	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	110.6361	0.586	24	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]S[5]H)	110.1034	0.268	17	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	110.4480	0.006	2	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]S[5]H)	109.9005	0.015	2	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	109.8619	0.404	10	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<2>}	H(C[5]C[5]S[5]H)	110.1321	0.283	8	110.4415	0.892	101	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.4350	0.241	35	110.4350	0.058	35	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.2983	0.175	3	110.9124	3.563	31	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	110.6582	0.029	4	110.9124	3.563	31	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	111.9880	1.235	2	110.9124	3.563	31	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	H(C[5]C[5]S[5]H)	110.6855	0.030	2	110.9124	3.563	31	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	111.5530	2.878	12	110.9124	3.563	31	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	110.2365	0.008	2	110.9124	3.563	31	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<2>}	H(C[5]C[5]S[5]H)	110.0502	0.151	6	110.9124	3.563	31	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ir<6>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.4435	0.016	2	110.4435	0.000	2	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.1715	0.009	2	110.1715	0.000	2	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|P<3>}	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	109.5665	0.047	2	109.9783	0.111	6	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|P<3>}	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|N<2>}	H(C[5]C[5]S[5]H)	110.0850	0.047	2	109.9783	0.111	6	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|P<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	110.2835	0.033	2	109.9783	0.111	6	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.7575	0.039	2	110.7575	0.002	2	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pt<6>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2{1|S<2>}	H(C[5]C[5]S[5]H)	110.6277	0.114	4	110.6277	0.013	4	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Re<6>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.5759	0.343	16	110.5759	0.117	16	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ru<7>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]Ru)(H)2{1|S<2>}	H(C[5]C[5]S[5]H)	110.2055	0.077	2	110.2055	0.006	2	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	110.1625	0.018	2	110.3268	0.014	10	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|S<4>}	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|N<2>}	H(C[5]C[5]S[5]H)	110.3267	0.051	6	110.3268	0.014	10	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>,1|S<4>}	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	110.4915	0.022	2	110.3268	0.014	10	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Zn<4>,1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>}	H(C[5]C[5]S[5]H)	110.0750	0.065	2	110.0750	0.004	2	110.4726	1.042	221	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	110.5700	0.253	2	110.2356	0.086	9	110.2356	0.086	9	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>,2|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	110.1400	0.238	7	110.2356	0.086	9	110.2356	0.086	9	110.7947	1.251	921	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.1460	0.042	4	110.1460	0.002	4	110.3269	0.067	7	110.8032	0.330	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.6885	0.069	2	110.6885	0.005	2	110.3269	0.067	7	110.8032	0.330	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.3270	0.000	1	110.3270	0.000	1	110.3269	0.067	7	110.8032	0.330	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>}	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5]C[5]O[5]H)	110.7938	0.110	8	110.7938	0.012	8	110.7938	0.012	8	110.8032	0.330	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	110.8742	0.622	48	110.8742	0.386	48	110.8742	0.386	48	110.8032	0.330	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5590	0.054	2	110.5590	0.003	2	110.5242	0.036	15	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.3035	0.056	2	110.3035	0.003	2	110.5242	0.036	15	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.5580	0.196	11	110.5580	0.038	11	110.5242	0.036	15	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9472	0.008	4	110.6510	0.081	10	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.4535	0.167	6	110.6510	0.081	10	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0250	0.020	2	111.0250	0.000	2	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.5960	0.048	2	110.5960	0.002	2	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.6740	0.013	2	110.6740	0.000	2	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.6150	0.000	1	110.6150	0.000	1	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.6275	0.083	6	110.6275	0.007	6	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(COO)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7780	0.584	4	110.7780	0.341	4	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(COO)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8315	0.006	2	110.8315	0.000	2	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9970	0.017	2	110.9970	0.000	2	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.7045	0.037	2	110.7045	0.001	2	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9297	0.243	4	110.9297	0.059	4	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]S[5])(H)2	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]S[5])(H)2{1|C<4>,2|O<1>}	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H){2|O<1>}	H(C[5]C[5]O[5]H)	110.9460	2.680	2	110.9460	7.182	2	110.7505	0.261	39	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]N[5])(H)2	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]N[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H){1|C<4>}	H(C[5]C[5]S[5]H)	110.8027	0.028	3	110.8027	0.001	3	110.8027	0.001	3	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	110.1705	0.011	2	110.1705	0.000	2	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H){1|O<1>}	H(C[5]C[5]S[5]H)	110.8055	0.032	2	110.8055	0.001	2	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H){2|H<1>}	H(C[5]C[5]S[5]H)	110.5350	0.030	4	110.5350	0.001	4	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	111.2379	6.012	14	110.9679	15.234	32	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	110.7579	0.186	18	110.9679	15.234	32	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	110.7170	0.030	2	110.3863	0.109	6	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|N<3>}	H(C[5]C[5]S[5]H)	110.4215	0.005	2	110.3863	0.109	6	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|S<1>}	H(C[5]C[5]S[5]H)	110.0205	0.235	2	110.3863	0.109	6	110.8127	10.573	46	110.7468	4.776	103	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CO)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC){1|O<1>}	H(C[5]C[5]O[5]H)	110.2700	0.018	2	110.2700	0.000	2	110.2700	0.000	2	110.2700	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2{2|C<4>,5|C<3>}	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5]O[5]H)	110.0445	0.012	2	110.0445	0.000	2	110.0445	0.000	2	110.4186	0.093	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5]O[5]H)	110.4200	0.023	3	110.4200	0.001	3	110.4200	0.001	3	110.4186	0.093	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:3:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.7905	0.028	2	110.7905	0.001	2	110.7905	0.001	2	110.4186	0.093	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.5943	0.079	6	110.5943	0.006	6	110.5943	0.006	6	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.4910	0.000	1	110.4910	0.000	1	110.7466	0.134	22	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.8865	0.483	10	110.8394	0.203	12	110.7466	0.134	22	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.6040	0.014	2	110.8394	0.203	12	110.7466	0.134	22	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.8323	0.049	4	110.7188	0.066	5	110.7466	0.134	22	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.2650	0.000	1	110.7188	0.066	5	110.7466	0.134	22	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]N[5])(H)2{1|C<4>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	H(C[5]C[5]O[5]H)	110.5667	0.082	4	110.5667	0.007	4	110.7466	0.134	22	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]O[5]H)	110.5780	0.016	2	110.5780	0.000	2	110.5688	0.023	10	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4202	0.031	4	110.4202	0.001	4	110.5688	0.023	10	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.7127	0.108	4	110.7127	0.012	4	110.5688	0.023	10	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.2730	0.044	2	110.2730	0.002	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.5355	0.016	2	110.5355	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ag<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8101	0.110	8	110.8101	0.012	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Al<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.0312	0.082	12	111.0312	0.007	12	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.8017	0.107	4	110.8883	0.025	6	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|S<1>}	H(C[5]C[5]O[5]H)	111.0615	0.052	2	110.8883	0.025	6	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.7804	0.581	38	110.7804	0.338	38	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9610	0.020	2	110.9610	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.7660	0.429	4	110.7490	0.122	7	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.7263	0.295	3	110.7490	0.122	7	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.9295	0.136	8	110.7889	0.055	12	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5078	0.017	4	110.7889	0.055	12	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0907	0.153	12	111.1866	0.134	14	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	111.7620	0.841	2	111.1866	0.134	14	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.8030	0.011	2	110.8030	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.2110	0.024	2	111.2110	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.7537	0.120	4	110.7537	0.014	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0375	0.006	2	111.0375	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.5247	0.100	6	111.0761	1.780	129	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	111.0166	1.126	113	111.0761	1.780	129	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.9675	0.036	2	111.0761	1.780	129	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0255	0.016	2	111.0761	1.780	129	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	117.2385	2.582	2	111.0761	1.780	129	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.5820	0.030	4	111.0761	1.780	129	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5655	0.375	4	110.5655	0.141	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.9510	0.042	4	110.7392	0.062	15	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|N<2>}	H(C[5]C[5]O[5]H)	110.8350	0.000	1	110.7392	0.062	15	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5183	0.165	6	110.7392	0.062	15	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	H(C[5]C[5]O[5]H)	111.0620	0.018	2	110.7392	0.062	15	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|S<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	H(C[5]C[5]O[5]H)	110.6075	0.009	2	110.7392	0.062	15	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	H(C[5]C[5]O[5]H)	110.5740	0.000	1	110.5740	0.000	1	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.5710	0.062	2	110.5710	0.004	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.8160	0.000	1	110.8160	0.000	1	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8535	0.101	4	110.7858	0.019	6	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.6505	0.101	2	110.7858	0.019	6	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8602	0.119	34	110.8401	0.024	38	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.6693	0.316	4	110.8401	0.024	38	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8666	0.102	5	110.8666	0.010	5	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7427	0.228	7	110.7543	0.032	11	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.7745	0.047	4	110.7543	0.032	11	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.7954	0.148	8	110.7885	0.015	13	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7776	0.084	5	110.7885	0.015	13	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CC3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9070	0.149	8	110.9070	0.022	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9146	0.245	34	110.9100	0.047	45	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9427	0.056	7	110.9100	0.047	45	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|N<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|N<3>}	H(C[5]C[5]O[5]H)	110.8140	0.039	4	110.9100	0.047	45	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7150	0.023	2	110.7150	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.6753	0.119	3	110.6753	0.014	3	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Dy<11>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.8435	0.071	2	110.8435	0.005	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9507	0.146	6	110.9615	0.016	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9940	0.064	2	110.9615	0.016	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7809	0.135	16	110.9074	0.435	37	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.1521	1.038	14	110.9074	0.435	37	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7071	0.070	7	110.9074	0.435	37	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7615	0.013	2	110.7615	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5215	0.029	2	110.5215	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5590	0.021	2	110.5590	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H){1|S<1>}	H(C[5]C[5]O[5]H)	110.8390	0.016	2	110.8390	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H){1|O<1>}	H(C[5]C[5]O[5]H)	112.9250	0.949	2	112.9250	0.900	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5721	0.137	16	110.5721	0.019	16	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.7240	0.196	6	110.7240	0.038	6	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	112.4075	0.699	4	111.8785	0.965	6	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.8205	0.028	2	111.8785	0.965	6	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.4495	0.153	2	111.0918	0.132	22	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.2152	0.344	12	111.0918	0.132	22	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.8420	0.074	2	111.0918	0.132	22	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<7>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.5170	0.182	2	111.0918	0.132	22	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<9>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9553	0.190	4	111.0918	0.132	22	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.6530	0.041	2	110.6530	0.002	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mg<7>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8646	0.283	8	110.8646	0.080	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<6>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H){1|B<4>}	H(C[5]C[5]O[5]H)	110.8472	0.137	5	110.8472	0.019	5	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7459	0.111	7	110.7459	0.012	7	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mo<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9845	0.028	2	110.9845	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.4945	0.008	2	110.4945	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<2>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	114.0875	6.792	2	114.0875	46.128	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.8394	0.107	8	110.8729	0.013	21	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9376	0.118	5	110.8729	0.013	21	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9057	0.104	6	110.8729	0.013	21	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7465	0.052	2	110.8729	0.013	21	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<3>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.5678	2.191	4	111.7849	5.134	99	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	112.0512	2.700	54	111.7849	5.134	99	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	111.4904	1.563	39	111.7849	5.134	99	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7705	0.015	2	111.7849	5.134	99	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H){1|C<3>}	H(C[5]C[5]O[5]H)	112.2765	1.934	4	112.2765	3.742	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	112.0650	1.165	3	112.0650	1.358	3	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC[6a]3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC[6a]3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7223	0.139	4	110.7223	0.019	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7973	0.160	4	110.7973	0.026	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9497	0.087	4	110.9119	0.550	19	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.8400	0.000	1	110.9119	0.550	19	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9062	0.871	14	110.9119	0.550	19	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7494	0.217	21	110.7989	0.074	65	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.7858	0.178	32	110.7989	0.074	65	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|N<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|N<3>}	H(C[5]C[5]O[5]H)	110.7305	0.308	4	110.7989	0.074	65	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7378	0.087	4	110.7989	0.074	65	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	111.2938	0.684	4	110.7989	0.074	65	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9610	0.038	2	110.9610	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.4657	0.205	8	110.4657	0.042	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8498	0.091	4	110.8920	0.008	7	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9483	0.051	3	110.8920	0.008	7	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7037	0.054	4	110.7433	0.004	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.7827	0.040	4	110.7433	0.004	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.6595	0.060	2	110.6595	0.004	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Re<6>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H){1|B<4>}	H(C[5]C[5]O[5]H)	110.8064	0.193	5	110.8064	0.037	5	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9788	0.071	17	110.9788	0.005	17	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8925	0.070	4	110.8602	0.037	17	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.6183	0.086	4	110.8602	0.037	17	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9110	0.226	3	110.8602	0.037	17	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	111.1575	0.025	2	110.8602	0.037	17	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<7>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8833	0.095	4	110.8602	0.037	17	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9920	0.083	4	110.9920	0.007	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<10>,1|N<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H){1|N<3>}	H(C[5]C[5]O[5]H)	110.6850	0.048	2	110.8522	0.040	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<9>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.0195	0.070	2	110.8522	0.040	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	111.0415	0.016	2	110.9928	0.018	16	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<4>}	H(C[5]C[5]O[5]H)	110.9485	0.176	4	110.9928	0.018	16	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<9>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	111.0008	0.135	10	110.9928	0.018	16	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.3832	0.077	5	110.3832	0.006	5	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8342	0.236	4	110.8342	0.055	4	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5580	0.386	7	110.5580	0.149	7	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5302	0.139	4	110.6156	0.017	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.7010	0.034	4	110.6156	0.017	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.6515	0.028	2	110.6515	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.9810	0.000	1	110.9810	0.000	1	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.9905	0.026	2	110.9905	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5220	0.008	2	110.5220	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Sn<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8400	0.033	2	110.8400	0.001	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Te<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.5890	0.016	2	110.5890	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.6675	0.140	4	110.7481	0.021	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8287	0.107	4	110.7481	0.021	8	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9370	0.000	1	110.9014	0.008	13	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8711	0.040	7	110.9014	0.008	13	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.8185	0.030	2	110.9014	0.008	13	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<6>,1|N<2>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|N<2>}	H(C[5]C[5]O[5]H)	111.0153	0.112	3	110.9014	0.008	13	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7350	0.000	1	110.7350	0.000	1	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.7930	0.088	15	110.7930	0.008	15	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]P[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H){1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.4610	0.021	2	110.4610	0.000	2	110.9982	1.086	914	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	H(C[5]C[5]S[5]H)	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5]S[5]H)	110.7207	0.130	4	110.7207	0.017	4	110.7207	0.017	4	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	H(C[5]C[5]S[5]H)	110.3385	0.039	2	110.7272	0.088	13	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|S<1>}	H(C[5]C[5]S[5]H)	110.7978	0.265	11	110.7272	0.088	13	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H){2|H<1>}	H(C[5]C[5]S[5]H)	110.6730	0.008	2	110.6730	0.000	2	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|S<1>}	H(C[5]C[5]S[5]H)	110.6797	0.125	4	110.6797	0.016	4	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	H(C[5]C[5]S[5]H)	110.6580	0.017	2	110.6580	0.000	2	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	H(C[5]C[5]S[5]H)	110.5517	0.021	3	110.5517	0.000	3	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Co<5>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	H(C[5]C[5]S[5]H)	110.2925	0.101	4	110.2925	0.010	4	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|N<2>}	H(C[5]C[5]S[5]H)	110.2525	0.006	2	110.2122	0.005	6	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|S<1>}	H(C[5]C[5]S[5]H)	110.1920	0.083	4	110.2122	0.005	6	110.5568	0.080	34	110.9691	1.018	991	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.5090	0.013	2	110.5090	0.000	2	110.5090	0.000	2	110.4785	0.018	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH){2|H<1>}	H(C[5]C[5]O[5]H)	110.7060	0.000	1	110.7060	0.000	1	110.5748	0.009	5	110.4785	0.018	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]N[5])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]N[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH){1|H<1>}	H(C[5]C[5]O[5]H)	110.5420	0.068	4	110.5420	0.005	4	110.5748	0.009	5	110.4785	0.018	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	H(C[5]C[5]S[5]H)	110.3430	0.081	4	110.3430	0.007	4	110.3430	0.007	4	110.4785	0.018	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.2740	0.033	2	110.0432	0.045	5	110.0432	0.045	5	110.4936	0.156	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	109.8893	0.017	3	110.0432	0.045	5	110.0432	0.045	5	110.4936	0.156	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.5532	0.015	4	110.5532	0.000	4	110.7438	0.034	9	110.4936	0.156	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Si)(CH3)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]Si)(CH3)(COO){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.9530	0.000	1	110.9530	0.000	1	110.7438	0.034	9	110.4936	0.156	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]S[5])(H)2	C[5](C[5]O[5]HH)(N[5]S[5]H)(CC[6a]HH)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]S[5])(H)2{1|H<1>,2|O<1>}	C[5](C[5]O[5]HH)(N[5]S[5]H)(CC[6a]HH)(COO){2|O<1>}	H(C[5]C[5]O[5]H)	110.8820	0.045	4	110.8820	0.002	4	110.7438	0.034	9	110.4936	0.156	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|O<1>}	H(C[5]C[5]O[5]H)	110.3145	0.012	2	110.3145	0.000	2	110.3145	0.000	2	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ag<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9960	0.044	2	110.9960	0.002	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.2365	0.013	2	110.2365	0.000	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|B<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.8058	0.113	15	110.7728	0.829	36	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|O<1>}	H(C[5]C[5]O[5]H)	111.1662	1.297	10	110.7728	0.829	36	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{2|C<4>}	H(C[5]C[5]O[5]H)	109.1607	1.460	3	110.7728	0.829	36	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.7545	0.026	2	110.7728	0.829	36	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.7830	0.016	2	110.7728	0.829	36	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{2|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8790	0.074	4	110.7728	0.829	36	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	111.0695	0.035	2	111.0695	0.001	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ce)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ce<16>,1|C<5>}	C[5](C[5]O[5]HH)(N[5]C[5]Ce)(CH3)2{1|C<5>}	H(C[5]C[5]O[5]H)	110.8559	0.081	8	110.8559	0.007	8	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<4>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.7283	0.129	23	110.7228	0.024	73	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.7886	0.125	8	110.7228	0.024	73	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<5>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.8822	0.107	4	110.7228	0.024	73	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6562	0.040	4	110.7228	0.024	73	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.7850	0.047	5	110.7228	0.024	73	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6820	0.198	25	110.7228	0.024	73	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<7>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6440	0.062	4	110.7228	0.024	73	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<3>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.6046	0.079	8	110.6520	0.012	25	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7885	0.108	4	110.6520	0.012	25	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.6856	0.075	9	110.6520	0.012	25	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.5345	0.031	4	110.6520	0.012	25	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7950	0.019	4	110.7950	0.000	4	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9390	0.087	8	110.6935	0.036	96	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.4465	0.015	2	110.6935	0.036	96	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.6805	0.053	2	110.6935	0.036	96	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6764	0.183	84	110.6935	0.036	96	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO){1|O<1>}	H(C[5]C[5]O[5]H)	110.5550	0.010	2	110.5550	0.000	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3){1|O<1>}	H(C[5]C[5]O[5]H)	110.1315	0.025	2	110.1315	0.001	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6728	0.213	13	110.6737	0.039	15	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.6795	0.006	2	110.6737	0.039	15	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>}	H(C[5]C[5]O[5]H)	110.6010	0.058	2	110.6010	0.003	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Hf)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Hf<10>,1|C<5>}	C[5](C[5]O[5]HH)(N[5]C[5]Hf)(CH3)2{1|C<5>}	H(C[5]C[5]O[5]H)	110.6912	0.167	4	110.6912	0.028	4	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<4>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.9350	0.052	2	110.6664	0.046	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<5>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.7188	0.083	4	110.6664	0.046	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<6>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.8934	0.106	5	110.6664	0.046	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.5804	0.125	14	110.6664	0.046	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<7>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6323	0.258	21	110.6664	0.046	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6845	0.026	2	110.6664	0.046	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Li<4>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.8135	0.096	6	110.8590	0.014	8	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Li<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.9955	0.029	2	110.8590	0.014	8	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<4>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.8496	0.164	8	110.7681	0.036	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6790	0.317	4	110.7681	0.036	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<5>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.9275	0.108	12	110.7681	0.036	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<6>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.8280	0.093	6	110.7681	0.036	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.6256	0.127	18	110.7681	0.036	48	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mn<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.2157	0.058	4	110.3547	0.048	6	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mn<7>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.6325	0.009	2	110.3547	0.048	6	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.7278	0.057	5	110.7194	0.014	58	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7117	0.084	16	110.7194	0.014	58	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.8555	0.086	2	110.7194	0.014	58	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.7345	0.114	10	110.7194	0.014	58	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.7449	0.116	20	110.7194	0.014	58	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<7>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.5492	0.147	5	110.7194	0.014	58	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<2>,2|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.3804	0.519	23	110.3804	0.269	23	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.8135	2.043	2	110.8135	4.173	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.3662	0.911	10	110.7487	0.464	54	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.7131	0.118	30	110.7487	0.464	54	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	111.2345	1.363	8	110.7487	0.464	54	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.7035	0.018	2	110.7487	0.464	54	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<7>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	111.0225	0.088	4	110.7487	0.464	54	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pt<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7875	0.013	2	110.7875	0.000	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7541	0.168	9	110.7541	0.028	9	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH){1|C<4>}	H(C[5]C[5]O[5]H)	110.6575	0.018	2	110.6575	0.000	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<4>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.8976	0.108	8	110.8473	0.037	17	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<6>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.9182	0.191	6	110.8473	0.037	17	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<6>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.5713	0.168	3	110.8473	0.037	17	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<10>,1|N<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|N<3>}	H(C[5]C[5]O[5]H)	110.7490	0.007	2	110.6503	0.040	14	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<5>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	111.0555	0.013	2	110.6503	0.040	14	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<6>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.6460	0.060	3	110.6503	0.040	14	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<7>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.4907	0.045	4	110.6503	0.040	14	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<7>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.5313	0.076	3	110.6503	0.040	14	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3){1|O<1>}	H(C[5]C[5]O[5]H)	110.1075	0.035	2	110.1075	0.001	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Sn<5>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.5462	0.383	9	110.5462	0.147	9	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ti)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ti<9>,1|C<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Ti)(CH3)2{1|C<4>}	H(C[5]C[5]O[5]H)	110.9835	0.019	2	110.9835	0.000	2	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]V)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|V<5>}	C[5](C[5]O[5]HH)(N[5]C[5]V)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.9317	0.082	4	110.9317	0.007	4	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.5610	0.021	2	110.7422	0.012	88	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<4>,1|B<4>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2{1|B<4>}	H(C[5]C[5]O[5]H)	110.7463	0.096	65	110.7422	0.012	88	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.7470	0.145	21	110.7422	0.012	88	110.7074	0.129	669	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3){1|C<3>}	H(C[5]C[5]S[5]H)	110.3510	0.290	4	110.3510	0.084	4	110.3510	0.084	4	110.7041	0.129	675	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5])(H)2{1|Mg<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>}	H(C[5]C[5]2H)	110.7900	0.035	2	110.7900	0.001	2	110.7900	0.001	2	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5])(H)2	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5])(H)2{1|C<3>,2|C<4>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[5]C[5]N[5]H)	110.5081	0.093	7	110.5081	0.009	7	110.5081	0.009	7	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<2>,1|C<4>,1|N<2>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8230	0.071	2	110.8230	0.005	2	110.3925	13.829	11	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.1410	0.060	4	110.2422	0.054	5	110.3925	13.829	11	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6470	0.000	1	110.2422	0.054	5	110.3925	13.829	11	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1845	3.886	2	111.1845	15.098	2	110.3925	13.829	11	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	109.5455	10.945	2	109.5455	119.800	2	110.3925	13.829	11	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.2460	0.033	2	110.2460	0.001	2	110.3897	0.028	6	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2{1|N<3>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	110.5975	0.008	2	110.4615	0.025	4	110.3897	0.028	6	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2{1|N<3>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.3255	0.022	2	110.4615	0.025	4	110.3897	0.028	6	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	110.2570	0.007	2	110.3332	1.131	23	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	109.8360	0.033	2	110.3332	1.131	23	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	110.6670	0.010	2	110.3332	1.131	23	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	110.2322	0.084	6	110.3332	1.131	23	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	110.0764	1.183	5	110.3332	1.131	23	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|Sn<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0290	3.321	2	110.3332	1.131	23	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>}	H(C[5]C[5]N[5]H)	110.5777	1.401	4	110.3332	1.131	23	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|N<3>,2|C<3>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	110.6715	0.055	4	110.6715	0.003	4	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5])(H)2	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	110.7100	0.010	2	110.7100	0.000	2	110.4059	0.910	29	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.2575	0.015	2	110.2575	0.000	2	110.4465	0.024	6	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5]O[5]H)	110.5410	0.062	4	110.5410	0.004	4	110.4465	0.024	6	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7873	0.029	3	110.7873	0.001	3	110.8757	0.006	9	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2{1|N<3>,6|C<3>}	H(C[5]C[5]O[5]H)	110.8910	0.011	2	110.8910	0.000	2	110.8757	0.006	9	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8990	0.044	2	110.8990	0.002	2	110.8757	0.006	9	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2{3|H<1>,5|C<3>}	H(C[5]C[5]O[5]H)	110.9695	0.019	2	110.9695	0.000	2	110.8757	0.006	9	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4920	0.025	2	110.4920	0.001	2	110.7110	0.112	12	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.8858	0.553	4	110.7878	0.206	6	110.7110	0.112	12	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5920	0.018	2	110.7878	0.206	6	110.7110	0.112	12	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<3>,2|H<1>}	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.5720	0.018	2	110.5720	0.000	2	110.7110	0.112	12	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8385	0.008	2	110.8385	0.000	2	110.7110	0.112	12	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2{4|C<4>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.4700	0.033	2	110.4700	0.001	2	110.4700	0.001	2	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.2380	0.025	2	110.6290	0.100	6	110.4109	0.153	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8245	0.120	4	110.6290	0.100	6	110.4109	0.153	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	109.9940	0.038	2	110.4522	0.281	4	110.4109	0.153	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.9105	0.050	2	110.4522	0.281	4	110.4109	0.153	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.1525	0.012	2	110.1525	0.000	2	110.4109	0.153	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	109.9920	0.018	2	109.9920	0.000	2	110.4109	0.153	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2920	0.000	1	110.2920	0.000	1	110.4109	0.153	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7230	0.069	2	110.7230	0.005	2	110.7230	0.005	2	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.4537	0.028	4	110.4537	0.001	4	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5]O[5]H)	110.4275	0.013	2	110.4275	0.000	2	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8406	0.111	9	110.8406	0.012	9	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	112.8535	3.139	2	111.1576	1.109	16	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.7960	0.100	2	111.1576	1.109	16	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8570	0.000	1	111.1576	1.109	16	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.9045	0.012	2	111.1576	1.109	16	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8748	0.062	4	111.1576	1.109	16	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7410	0.000	1	111.1576	1.109	16	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	111.0793	0.068	4	111.1576	1.109	16	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.5340	0.020	2	110.5340	0.000	2	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.5687	0.026	3	110.5687	0.001	3	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	110.9350	0.000	1	110.9350	0.000	1	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	110.6290	0.016	2	110.6290	0.000	2	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5]O[5]H)	110.5305	0.069	2	110.6693	0.028	4	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.8080	0.042	2	110.6693	0.028	4	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[5]C[5]O[5]H)	110.9770	0.018	2	110.9165	0.005	4	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]O[5]H)	110.8560	0.016	2	110.9165	0.005	4	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	110.9789	0.086	8	110.8702	0.116	25	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.8036	0.439	14	110.8702	0.116	25	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8907	0.178	3	110.8702	0.116	25	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	109.4725	2.017	2	109.4725	4.070	2	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.8620	0.000	1	110.4638	0.051	5	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[5]C[5]O[5]H)	110.3535	0.008	2	110.4638	0.051	5	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.3750	0.058	2	110.4638	0.051	5	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.2865	0.033	2	111.0556	1.729	15	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	113.1740	2.926	2	111.0556	1.729	15	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5286	0.441	7	111.0556	1.729	15	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.5755	0.064	2	111.0556	1.729	15	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	112.0310	0.059	2	111.0556	1.729	15	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.8580	0.054	2	110.8580	0.003	2	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	110.5705	0.264	4	110.6941	0.033	14	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]O[5]H)	110.7920	0.011	2	110.6941	0.033	14	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]O[5]H)	110.9280	0.066	2	110.6941	0.033	14	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.5820	0.013	2	110.6941	0.033	14	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7360	0.011	2	110.6941	0.033	14	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.6795	0.008	2	110.6941	0.033	14	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	109.9890	0.040	2	109.9890	0.002	2	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2{3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	114.6395	2.671	2	114.6395	7.133	2	110.8738	0.836	114	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2{1|N<3>,3|C<4>}	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	110.7625	0.030	2	110.7625	0.001	2	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	111.0085	0.031	4	111.0085	0.001	4	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.2690	0.128	4	110.2690	0.016	4	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	110.1238	0.088	6	110.1626	0.009	12	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	110.2177	0.108	4	110.1626	0.009	12	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.1685	0.026	2	110.1626	0.009	12	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]O[5]H)	110.1485	0.006	2	110.1510	0.000	3	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.1560	0.000	1	110.1510	0.000	3	110.3616	0.116	25	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2735	0.008	2	110.2735	0.000	2	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.2230	0.063	3	110.2230	0.004	3	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	110.5045	0.016	2	110.5045	0.000	2	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	110.0770	0.006	2	110.0770	0.000	2	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	109.8610	0.030	2	110.0339	0.097	9	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]O[5]H)	110.0305	0.342	6	110.0339	0.097	9	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	110.4000	0.000	1	110.0339	0.097	9	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4867	0.043	3	110.8601	6.215	7	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1360	0.007	2	110.8601	6.215	7	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	112.1445	5.703	2	110.8601	6.215	7	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.5060	0.046	4	110.5060	0.002	4	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1552	0.019	4	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.3612	0.185	8	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5]O[5]H)	110.6795	1.046	2	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1756	0.319	32	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	112.1850	2.286	4	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2585	0.049	2	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	110.4368	0.042	4	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2815	0.037	2	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.2678	0.083	4	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.0735	0.050	2	110.3637	0.559	64	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{3|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.6300	0.088	4	110.6300	0.008	4	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4460	0.037	2	110.4460	0.001	2	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.2670	0.000	1	110.2670	0.000	1	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	110.2510	0.037	2	110.2510	0.001	2	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6260	0.000	1	110.5750	0.002	3	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]O[5]H)	110.5495	0.011	2	110.5750	0.002	3	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7690	0.062	2	110.7690	0.004	2	110.3874	0.728	107	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H){1|S<4>,2|C<3>}	H(C[5]C[5]O[5]H)	110.7295	0.033	2	110.7295	0.001	2	110.7295	0.001	2	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.3815	0.415	6	110.3815	0.173	6	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.3893	0.023	4	110.3893	0.001	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]O[5]H)	110.2945	0.006	2	110.2945	0.000	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|Cl<1>,1|C<3>,1|O<2>}	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	110.4050	0.000	1	110.4050	0.000	1	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.0190	0.058	2	110.0190	0.003	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	113.4520	3.222	2	113.4520	10.379	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	110.4910	0.433	4	110.5875	0.861	34	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	110.5163	0.285	14	110.5875	0.861	34	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.7089	1.426	14	110.5875	0.861	34	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	110.4290	0.068	2	110.5875	0.861	34	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3355	0.019	2	110.3355	0.000	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]2Ru)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<7>,1|C<4>,1|C<5>}	C[5](C[5]C[5]2Ru)(C[5]O[5]HH)(H)2{1|Ru<7>,3|C<4>}	H(C[5]C[5]O[5]H)	110.0760	0.000	1	110.0760	0.000	1	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|B<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	113.6325	1.412	2	113.6325	1.994	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|Br<1>,1|C<3>,1|O<2>}	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	110.3785	0.040	4	110.3785	0.002	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Br<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	110.5680	0.085	2	110.5680	0.007	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.2298	0.280	6	110.2298	0.079	6	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.3997	0.370	6	111.5296	3.214	26	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8710	0.021	2	111.5296	3.214	26	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	112.4358	2.185	13	111.5296	3.214	26	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<2>}	H(C[5]C[5]O[5]H)	110.2420	0.000	1	111.5296	3.214	26	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	111.0755	0.016	2	111.5296	3.214	26	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]O[5]H)	110.7855	0.076	2	111.5296	3.214	26	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	109.9545	0.016	2	110.5386	0.286	30	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.5804	0.529	28	110.5386	0.286	30	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|S<2>}	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	111.9515	0.439	2	111.9515	0.193	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|F<1>,1|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]O[5]H)	110.2855	0.006	2	110.2855	0.000	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]O[5]H)	110.1230	0.034	2	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.5880	0.320	4	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.2528	0.348	11	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.3510	0.031	2	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.3450	0.332	43	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<6>,1|H<1>}	H(C[5]C[5]O[5]H)	110.1880	0.053	3	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ir<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>}	H(C[5]C[5]O[5]H)	110.5962	0.197	6	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	110.4256	0.244	18	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.3383	0.278	4	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<2>}	H(C[5]C[5]O[5]H)	110.8153	0.114	3	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.2740	0.007	2	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|P<4>}	H(C[5]C[5]O[5]H)	110.3570	0.052	2	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Re<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>}	H(C[5]C[5]O[5]H)	110.8370	0.058	2	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>}	H(C[5]C[5]O[5]H)	110.9805	0.042	2	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<9>}	H(C[5]C[5]O[5]H)	111.1070	0.024	2	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	110.4078	0.334	37	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>}	H(C[5]C[5]O[5]H)	110.3233	0.288	8	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]O[5]H)	110.3773	1.086	7544	110.3778	1.159	7695	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|I<1>}	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]O[5]H)	110.2995	0.012	2	110.2995	0.000	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.6740	0.024	2	110.8373	0.648	13	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	111.1963	1.115	6	110.8373	0.648	13	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.7000	0.000	1	110.8373	0.648	13	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.4147	0.032	4	110.8373	0.648	13	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.4943	0.173	6	110.3634	0.080	8	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]O[5]H)	109.9705	0.018	2	110.3634	0.080	8	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	111.0250	0.035	2	111.0250	0.001	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<3>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	113.1460	3.442	2	111.9333	5.911	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.7205	0.008	2	111.9333	5.911	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]RuH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<8>,1|Ru<9>,1|H<1>}	C[5](C[5]C[5]RuH)(C[5]O[5]HH)(H)2{1|Ru<8>}	H(C[5]C[5]O[5]H)	112.2578	2.299	8	112.2578	5.285	8	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.2986	0.341	5	110.2986	0.116	5	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.5570	0.031	4	110.5570	0.001	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	110.8380	0.075	4	110.8380	0.006	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	110.7545	0.015	2	110.6495	0.015	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.5445	0.012	2	110.6495	0.015	4	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	113.3700	0.460	2	111.3433	2.052	7	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.3260	0.000	1	111.3433	2.052	7	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.9540	0.020	2	111.3433	2.052	7	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.2145	0.019	2	111.3433	2.052	7	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1725	0.100	4	110.5227	0.123	10	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7562	0.229	6	110.5227	0.123	10	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.5295	0.013	2	110.5295	0.000	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	110.8770	0.000	1	110.8770	0.000	1	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|C<4>,1|W<6>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,1|W<6>}	H(C[5]C[5]O[5]H)	109.8740	0.028	2	109.8740	0.001	2	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]S[5])(H)2	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]S[5])(H)2{2|H<1>,2|O<1>}	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2{2|O<1>}	H(C[5]C[5]O[5]H)	110.1423	0.259	7	110.1423	0.067	7	110.3897	1.171	7906	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5])(H)2	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]B[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	110.7685	0.082	4	110.7685	0.007	4	110.7685	0.007	4	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2{2|C<4>,2|O<2>}	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]O[5]H)	111.2108	2.696	6	111.2108	7.271	6	110.8326	5.684	8	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2{1|Br<1>,2|C<4>,2|O<2>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	109.6980	0.028	2	109.6980	0.001	2	110.8326	5.684	8	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9828	0.485	18	110.9828	0.235	18	110.7302	0.244	44	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7825	0.095	13	110.7511	0.014	21	110.7302	0.244	44	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7002	0.139	8	110.7511	0.014	21	110.7302	0.244	44	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2{1|Pd<4>,1|O<2>,2|C<4>}	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	109.7330	0.127	5	109.7330	0.016	5	110.7302	0.244	44	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	110.2510	0.107	4	110.2510	0.011	4	110.4495	0.041	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[5]CdC)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]CdC)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8525	0.008	2	110.8525	0.000	2	110.4495	0.041	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[5]ZnC)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]ZnC)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.4129	0.049	7	110.4129	0.002	7	110.4495	0.041	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](N[5]C[6a]C[5]Pd)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5]Pd)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	110.5720	0.011	2	110.5720	0.000	2	110.4495	0.041	15	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(S[5]C[5])(H)2	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]S[5]H)	110.3840	0.047	2	110.3840	0.002	2	110.3840	0.002	2	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]S[5]H)	110.0790	0.020	2	110.0890	0.001	5	110.0890	0.001	5	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5]S[5]H)	110.0957	0.051	3	110.0890	0.001	5	110.0890	0.001	5	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2{2|H<1>}	H(C[5]C[5]S[5]H)	110.3385	0.064	2	110.3385	0.004	2	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]S[5]H)	106.4105	2.968	2	106.4105	8.807	2	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	110.7010	0.011	2	110.4337	0.108	26	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>}	H(C[5]C[5]S[5]H)	109.6395	0.018	2	110.4337	0.108	26	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	110.5355	0.160	6	110.4337	0.108	26	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>}	H(C[5]C[5]S[5]H)	110.4614	0.271	16	110.4337	0.108	26	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2{1|O<1>}	H(C[5]C[5]S[5]H)	110.6110	0.102	4	110.6110	0.010	4	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]S[5]H)	110.4525	0.006	2	110.4525	0.000	2	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]S[5])(H)2	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	110.2518	0.389	4	110.2518	0.151	4	110.2283	1.102	40	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]In[5])(H)2	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]In[5])(H)2{1|Cl<1>,1|S<2>,2|C<4>}	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2{1|Cl<1>,1|S<2>}	H(C[5]C[5]S[5]H)	108.8750	0.045	2	108.8750	0.002	2	108.8750	0.002	2	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2	H(C[5]Se[5]C[5]H)	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2{1|C<3>}	H(C[5]Se[5]C[5]H)	110.5080	0.140	8	110.5080	0.020	8	110.5080	0.020	8	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:1:1:	4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	H(C[5]Se[5]C[5]H)	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	H(C[5]Se[5]C[5]H)	110.6520	0.018	2	110.6520	0.000	2	110.6520	0.000	2	110.3990	1.161	8385	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	112.5845	4.025	4	111.8655	7.537	8	111.8655	7.537	8	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	111.2315	0.019	2	111.8655	7.537	8	111.8655	7.537	8	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){2|C<3>,4|C<4>}	H(C[5]C[5]O[5]H)	111.0615	0.029	2	111.8655	7.537	8	111.8655	7.537	8	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.7315	0.040	2	110.6110	0.020	4	110.6110	0.020	4	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.4905	0.006	2	110.6110	0.020	4	110.6110	0.020	4	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	110.9130	0.031	2	110.9130	0.001	2	111.1036	2.199	16	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	110.9435	0.318	4	110.9435	0.101	4	111.1036	2.199	16	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	111.7600	3.156	4	111.7600	9.962	4	111.1036	2.199	16	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.6130	0.045	2	110.6107	0.001	3	111.1036	2.199	16	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	110.6060	0.000	1	110.6107	0.001	3	111.1036	2.199	16	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	H(C[5]C[5]O[5]H)	111.0620	0.285	3	111.0620	0.081	3	111.1036	2.199	16	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.9585	0.008	2	110.9585	0.000	2	110.9585	0.000	2	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.7180	0.010	2	110.7180	0.000	2	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7807	0.188	4	110.7807	0.036	4	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5750	0.024	2	110.5750	0.001	2	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4680	0.034	2	110.4680	0.001	2	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	109.1075	1.060	2	109.1075	1.124	2	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.3830	0.078	2	110.3830	0.006	2	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	110.7275	0.039	2	110.6394	0.007	16	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.4955	0.022	2	110.6394	0.007	16	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.6488	0.068	12	110.6394	0.007	16	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.7262	0.024	4	110.7489	0.670	21	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.7542	0.915	17	110.7489	0.670	21	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.3000	0.040	2	110.3000	0.002	2	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.8560	0.040	3	110.8560	0.002	3	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.7137	0.212	3	110.7137	0.045	3	110.6253	0.353	59	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.3100	0.066	2	110.3100	0.004	2	110.3340	0.023	12	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.3328	0.135	6	110.3328	0.018	6	110.3340	0.023	12	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1505	0.015	2	110.1505	0.000	2	110.3340	0.023	12	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.5450	0.035	2	110.5450	0.001	2	110.3340	0.023	12	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5765	0.040	2	110.5765	0.002	2	110.8664	0.022	13	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	H(C[5]C[5]O[5]H)	110.9474	0.083	7	110.9191	0.006	11	110.8664	0.022	13	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<6>}	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<6>}	H(C[5]C[5]O[5]H)	110.8695	0.037	4	110.9191	0.006	11	110.8664	0.022	13	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]H)	110.8980	0.045	2	110.8980	0.002	2	111.0398	0.038	9	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	H(C[5]C[5]O[5]H)	111.1790	0.000	1	111.1790	0.000	1	111.0398	0.038	9	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.9906	0.139	5	111.0638	0.048	6	111.0398	0.038	9	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.4300	0.000	1	111.0638	0.048	6	111.0398	0.038	9	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HN)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	H(C[5]C[5]O[5]H)	112.0675	0.879	2	112.0675	0.773	2	112.0675	0.773	2	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.4115	0.021	2	110.4115	0.000	2	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.7765	0.057	2	110.7765	0.003	2	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.8480	0.000	1	110.8480	0.000	1	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	112.1260	1.526	2	112.1260	2.328	2	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	110.5376	0.097	5	110.5376	0.009	5	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.0450	2.560	2	110.2268	2.228	4	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.4085	0.016	2	110.2268	2.228	4	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.2005	1.186	2	110.7145	0.603	14	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.4562	0.141	4	110.7145	0.603	14	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	112.2810	0.281	2	110.7145	0.603	14	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	110.5358	0.284	6	110.7145	0.603	14	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	111.2007	2.324	4	111.2007	5.401	4	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.1725	0.069	2	110.1725	0.005	2	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.7665	0.016	2	110.8547	0.011	4	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9430	0.010	2	110.8547	0.011	4	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]N[5])(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	H(C[5]C[5]O[5]H)	110.3060	0.049	2	110.3060	0.002	2	110.7203	0.985	42	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.7900	0.000	1	110.7900	0.000	1	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	110.6125	0.030	2	110.6125	0.001	2	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<3>,4|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.7880	0.004	2	110.7880	0.000	2	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.2565	0.030	2	111.2565	0.001	2	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.1005	0.290	6	111.1005	0.084	6	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	111.0260	0.024	2	111.1354	2.356	38	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	110.4226	1.100	8	111.1354	2.356	38	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.6580	1.329	2	111.1354	2.356	38	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.2255	1.799	22	111.1354	2.356	38	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5]C[5]O[5]H)	111.8582	0.823	4	111.1354	2.356	38	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.0950	0.008	2	111.1715	0.005	6	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	111.2097	0.045	4	111.1715	0.005	6	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	111.0460	0.006	2	111.0460	0.000	2	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	111.1083	0.273	3	111.1083	0.075	3	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3220	0.048	2	110.7612	0.150	6	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5]C[5]O[5]H)	110.9808	0.239	4	110.7612	0.150	6	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	H(C[5]C[5]O[5]H)	111.1840	0.054	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<2>,4|C<4>}	H(C[5]C[5]O[5]H)	110.8395	0.008	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	111.0150	0.112	4	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	111.2603	0.010	3	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	111.0130	0.054	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	108.2110	4.774	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5]O[5]H)	111.5935	3.074	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	111.3859	0.494	7	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	108.8600	1.465	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Cl<1>,1|N<2>,4|C<4>}	H(C[5]C[5]O[5]H)	110.8770	0.093	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,1|P<4>,3|C<4>}	H(C[5]C[5]O[5]H)	111.1561	0.080	7	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.0046	0.349	49	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	111.3635	0.030	2	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5]C[5]O[5]H)	110.8654	0.356	5	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5]C[5]O[5]H)	111.2812	0.505	8	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	112.2300	3.103	4	111.0314	1.048	103	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	110.8015	0.049	2	110.8015	0.002	2	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	H(C[5]C[5]O[5]H)	110.5630	0.096	7	110.5711	0.009	11	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,2|C<4>,4|O<2>}	H(C[5]C[5]O[5]H)	110.5853	0.113	4	110.5711	0.009	11	111.0162	1.090	184	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	111.2095	0.055	4	111.2095	0.003	4	111.1576	0.011	7	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	111.0883	0.121	3	111.0883	0.015	3	111.1576	0.011	7	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.0855	0.009	2	111.0855	0.000	2	111.0804	0.322	15	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.1193	0.790	8	111.1193	0.625	8	111.0804	0.322	15	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	110.8400	0.017	2	111.0162	0.027	5	111.0804	0.322	15	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	111.1337	0.043	3	111.0162	0.027	5	111.0804	0.322	15	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]S[5]H)	110.5000	0.023	2	110.5000	0.001	2	110.4396	0.009	10	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]S[5]H)	110.4298	0.119	6	110.4298	0.014	6	110.4396	0.009	10	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]S[5]H)	110.4085	0.022	2	110.4085	0.000	2	110.4396	0.009	10	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]S[5]H)	110.0349	0.390	8	110.0349	0.152	8	110.0349	0.152	8	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H){2|C<3>,2|C<4>}	H(C[5]C[5]S[5]H)	110.5048	0.176	4	110.5048	0.031	4	110.5048	0.031	4	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	109.9185	0.009	2	110.1050	0.047	4	109.7356	1.817	14	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	110.2915	0.045	2	110.1050	0.047	4	109.7356	1.817	14	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H){1|O<1>}	H(C[5]C[5]S[5]H)	110.5243	0.146	3	110.5243	0.021	3	109.7356	1.817	14	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	107.0640	2.314	2	107.0640	5.353	2	109.7356	1.817	14	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	110.4175	0.045	2	110.4175	0.002	2	109.7356	1.817	14	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	110.3370	0.000	1	110.3370	0.000	1	109.7356	1.817	14	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]S[5])(H)2	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]S[5])(H)2{2|C<4>}	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	109.5030	0.004	2	109.5030	0.000	2	109.7356	1.817	14	110.8488	1.050	409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:3:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]C)(S[5]C[5])(H)2	C[5](C[5]C[5]N[5]C)(C[5]S[5]HH)(N[5]C[5])(COO)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5]C)(C[5]S[5]HH)(N[5]C[5])(COO){1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	110.4197	0.098	6	110.4197	0.010	6	110.4197	0.010	6	110.4197	0.010	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>}	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3){1|C<3>}	H(C[5]C[5]O[5]H)	110.9410	0.013	2	110.9410	0.000	2	110.9410	0.000	2	111.0046	0.368	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.1090	0.011	2	111.1090	0.000	2	111.0904	0.766	8	111.0046	0.368	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]H)	111.0842	1.036	6	111.0842	1.073	6	111.0904	0.766	8	111.0046	0.368	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.9850	0.038	2	110.9647	0.001	4	110.9647	0.001	4	111.0046	0.368	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	110.9445	0.035	2	110.9647	0.001	4	110.9647	0.001	4	111.0046	0.368	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8050	0.031	2	110.8050	0.001	2	110.8050	0.001	2	111.0046	0.368	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H){4|C<4>}	H(C[5]C[5]O[5]H)	110.8365	0.046	2	110.8365	0.002	2	110.8365	0.002	2	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	111.0443	0.263	3	111.0443	0.069	3	111.5251	1.414	7	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.7295	0.005	2	110.7295	0.000	2	111.5251	1.414	7	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H){2|C<3>,2|O<1>}	H(C[5]C[5]O[5]H)	113.0420	1.336	2	113.0420	1.786	2	111.5251	1.414	7	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.9970	1.047	2	110.9970	1.095	2	110.9970	1.095	2	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7244	0.070	16	110.7244	0.005	16	110.7244	0.005	16	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:P-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4700	0.082	6	110.4700	0.007	6	110.4700	0.007	6	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9103	0.234	3	110.9103	0.055	3	110.4806	0.086	15	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2640	0.040	4	110.2700	0.001	6	110.4806	0.086	15	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2820	0.044	2	110.2700	0.001	6	110.4806	0.086	15	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	110.3560	0.171	4	110.3560	0.029	4	110.4806	0.086	15	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	110.7170	0.011	2	110.7170	0.000	2	110.4806	0.086	15	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8650	0.014	2	110.8650	0.000	2	110.8650	0.000	2	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H){2|C<4>}	H(C[5]C[5]O[5]H)	111.0955	0.011	2	111.0955	0.000	2	110.8095	0.110	4	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5235	0.062	2	110.5235	0.004	2	110.8095	0.110	4	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.9830	0.000	1	110.9830	0.000	1	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.4833	0.170	9	110.4833	0.029	9	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.6300	0.004	2	110.6300	0.000	2	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.4772	0.724	4	110.4772	0.525	4	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.9495	0.037	2	110.9500	0.001	4	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.9505	0.021	2	110.9500	0.001	4	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1060	0.016	2	110.1060	0.000	2	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7150	0.010	2	110.7150	0.000	2	110.5810	0.136	24	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	111.2107	1.279	6	111.2107	1.637	6	110.8765	0.678	16	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	H(C[5]C[5]O[5]H)	110.4575	0.032	2	110.4575	0.001	2	110.8765	0.678	16	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	111.1645	0.025	2	110.7148	0.157	6	110.8765	0.678	16	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	110.2815	0.053	2	110.7148	0.157	6	110.8765	0.678	16	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){2|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	110.6985	0.013	2	110.7148	0.157	6	110.8765	0.678	16	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.7780	0.038	2	110.7780	0.001	2	110.8765	0.678	16	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|Mn<4>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H){1|H<1>,1|O<3>,4|C<4>}	H(C[5]C[5]O[5]H)	111.3528	0.945	4	111.3528	0.892	4	111.3528	0.892	4	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	110.9730	0.024	2	110.9730	0.001	2	110.8755	0.013	4	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.7780	0.004	2	110.7780	0.000	2	110.8755	0.013	4	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]CuH)(C[5]O[5]HH)(COO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,3|H<1>}	C[5](N[5]C[5]CuH)(C[5]O[5]HH)(COO)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.6295	0.040	2	110.6295	0.002	2	110.6295	0.002	2	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:Cl-1:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H)	H(C[5]C[5]S[5]Cl)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]Cl)	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]H)	110.6554	0.089	5	110.6554	0.008	5	110.6554	0.008	5	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]S[5])(H)2	C[5](C[5]S[5]HH)2(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]S[5])(H)2{2|H<1>}	C[5](C[5]S[5]HH)2(COO)(H)	H(C[5]C[5]S[5]H)	110.0646	0.312	12	110.0646	0.097	12	110.0646	0.097	12	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	112.1985	3.928	2	112.1985	15.429	2	110.5684	1.705	14	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H){2|H<1>}	H(C[5]C[5]S[5]H)	110.4407	0.075	8	110.4407	0.006	8	110.5684	1.705	14	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]S[5])(H)2	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	H(C[5]C[5]S[5]H)	110.0085	0.032	4	110.0085	0.001	4	110.5684	1.705	14	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]S[5]H)	110.0425	0.060	2	110.0425	0.004	2	110.0425	0.004	2	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{4|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H){2|H<1>}	H(C[5]C[5]S[5]H)	110.9770	0.004	2	110.9770	0.000	2	110.9770	0.000	2	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2{1|O<1>,2|C<4>,2|O<2>}	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	110.3035	0.021	4	110.3035	0.000	4	110.3035	0.000	4	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](N[5]C[5]NiH)(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Ni<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]NiH)(C[5]S[5]HH)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	111.0385	0.011	2	111.0385	0.000	2	111.0385	0.000	2	110.6600	0.460	146	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	111.2260	0.031	2	111.2260	0.001	2	111.2260	0.001	2	110.8636	0.816	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH){1|O<1>}	H(C[5]C[5]O[5]H)	110.5280	0.179	6	110.5280	0.032	6	110.8032	0.937	12	110.8636	0.816	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	111.9745	0.032	2	111.9745	0.001	2	110.8032	0.937	12	110.8636	0.816	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	111.6075	1.631	2	111.6075	2.661	2	110.8032	0.937	12	110.8636	0.816	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	109.6535	0.589	2	109.6535	0.347	2	110.8032	0.937	12	110.8636	0.816	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:N-3:	C[5]-4:	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NOO)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NOO)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	111.0152	0.107	20	111.0152	0.011	20	111.0152	0.011	20	111.0152	0.011	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:3:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3,3]-4:C[5]-4:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[3,3]C[5]N[5])(O[5]C[5])(H)2	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,3]C[5]N[5])(O[5]C[5])(H)2{1|C<2>,1|C<4>,1|H<1>,1|H<2>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4255	2.775	2	110.4255	7.703	2	110.4255	7.703	2	110.4255	7.703	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>}	H(C[5]C[5]N[5]H)	110.2960	0.055	2	110.2960	0.003	2	110.2960	0.003	2	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2{1|Cl<1>,1|N<3>,2|C<3>}	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.6310	0.010	2	110.6310	0.000	2	110.6310	0.000	2	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]O[5]H)	110.5375	0.035	2	110.5375	0.001	2	110.5375	0.001	2	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	110.5937	0.086	3	110.5937	0.007	3	110.6054	0.055	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8180	0.000	1	110.8180	0.000	1	110.6054	0.055	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	110.8515	0.035	2	110.8515	0.001	2	110.6054	0.055	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	110.2120	0.008	2	110.2120	0.000	2	110.6054	0.055	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	110.6640	0.006	2	110.6640	0.000	2	110.6054	0.055	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.5242	0.092	4	110.5242	0.008	4	110.5242	0.008	4	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.5395	0.005	2	110.5395	0.000	2	110.6387	0.005	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.6635	0.054	8	110.6635	0.003	8	110.6387	0.005	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	111.0503	2.315	4	111.0503	5.360	4	110.5652	1.627	12	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3995	0.013	2	110.3995	0.000	2	110.5652	1.627	12	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.0705	0.021	2	110.1210	0.004	4	110.5652	1.627	12	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.1715	0.026	2	110.1210	0.004	4	110.5652	1.627	12	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	110.6495	0.013	2	110.6495	0.000	2	110.5652	1.627	12	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.8877	0.096	3	110.8877	0.009	3	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.0445	0.006	2	110.0445	0.000	2	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.4110	0.065	8	110.4110	0.004	8	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.2645	0.084	2	111.2612	1.670	4	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	112.2580	1.014	2	111.2612	1.670	4	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.4265	0.009	2	110.4265	0.000	2	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.5583	0.221	4	110.5583	0.049	4	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.5874	0.056	5	110.5874	0.003	5	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5910	0.103	2	111.9631	3.079	12	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]H)	112.1771	1.910	8	111.9631	3.079	12	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	112.4790	1.915	2	111.9631	3.079	12	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.3432	0.853	4	110.4052	0.447	6	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){2|C<3>}	H(C[5]C[5]O[5]H)	110.5290	0.081	2	110.4052	0.447	6	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.5390	0.000	1	110.5390	0.000	1	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.7190	0.027	2	110.7190	0.001	2	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.0937	0.219	7	110.0937	0.048	7	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.9360	2.201	2	110.9360	4.842	2	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.1920	0.000	1	110.1920	0.000	1	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.3565	0.072	4	110.3565	0.005	4	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.2920	0.044	4	110.2920	0.002	4	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H){2|H<1>}	H(C[5]C[5]O[5]H)	110.5245	0.035	2	110.5245	0.001	2	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	110.6225	0.066	2	110.6225	0.004	2	110.7420	1.048	71	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.4495	0.009	2	110.2752	0.041	4	110.7037	3.955	14	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5]O[5]H)	110.1010	0.017	2	110.2752	0.041	4	110.7037	3.955	14	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	110.8751	2.363	10	110.8751	5.585	10	110.7037	3.955	14	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HP)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H){1|O<1>}	H(C[5]C[5]O[5]H)	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]N[5])(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HS)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	110.9295	0.054	2	110.9295	0.003	2	110.8770	0.005	4	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]N[5])(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HS)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	110.8245	0.006	2	110.8245	0.000	2	110.8770	0.005	4	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2{1|B<4>,1|C<4>,1|N<4>,1|O<2>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6430	0.007	2	110.6430	0.000	2	110.7173	0.003	6	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5]O[5]H)	110.7545	0.017	4	110.7545	0.000	4	110.7173	0.003	6	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.6855	0.062	2	110.6855	0.004	2	110.6855	0.004	2	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H){2|C<4>}	H(C[5]C[5]S[5]H)	110.6950	0.000	1	110.6950	0.000	1	110.1506	0.257	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	109.4935	0.050	2	109.4935	0.003	2	110.1506	0.257	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	110.1315	0.039	2	110.1315	0.002	2	110.1506	0.257	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H){2|C<3>}	H(C[5]C[5]S[5]H)	111.2130	0.000	1	111.2130	0.000	1	110.1506	0.257	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	110.0870	0.014	4	110.0870	0.000	4	110.1506	0.257	10	110.6531	1.003	150	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH){1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.7010	0.018	2	110.7010	0.000	2	110.5687	0.024	4	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	110.4365	0.015	2	110.4365	0.000	2	110.5687	0.024	4	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	110.3462	0.075	4	110.3462	0.006	4	110.4795	0.042	8	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4310	0.016	2	110.4310	0.000	2	110.4795	0.042	8	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	110.7945	0.040	2	110.7945	0.002	2	110.4795	0.042	8	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.2420	0.004	2	110.2420	0.000	2	110.6557	0.138	6	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.6535	0.012	2	110.6535	0.000	2	110.6557	0.138	6	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	111.0715	0.028	2	111.0715	0.001	2	110.6557	0.138	6	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(S[5]S[5])(H)2	C[5](C[5]S[5]HH)2(CCHH)(OH)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CO)(S[5]S[5])(H)2{2|H<1>}	C[5](C[5]S[5]HH)2(CCHH)(OH)	H(C[5]C[5]S[5]H)	109.9695	0.677	4	109.9695	0.458	4	109.9695	0.458	4	110.4510	0.175	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<3>,2|O<1>}	H(C[5]C[5]O[5]H)	110.5770	0.011	2	110.6677	0.011	4	110.6677	0.011	4	111.0841	4.007	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<4>,2|O<1>}	H(C[5]C[5]O[5]H)	110.7585	0.005	2	110.6677	0.011	4	110.6677	0.011	4	111.0841	4.007	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	111.0841	4.007	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH){2|H<1>}	H(C[5]C[5]O[5]H)	110.5150	0.004	2	110.5150	0.000	2	110.3473	0.038	4	111.0841	4.007	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO){1|O<1>}	H(C[5]C[5]O[5]H)	110.1795	0.037	2	110.1795	0.001	2	110.3473	0.038	4	111.0841	4.007	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CN)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	112.2038	3.220	6	112.2038	10.369	6	112.2038	10.369	6	111.0841	4.007	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CN)(S[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS){2|H<1>}	H(C[5]C[5]S[5]H)	110.1800	0.016	2	110.1800	0.000	2	110.1800	0.000	2	111.0841	4.007	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(O[5]C[3,5])(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]CC)(O[5]C[3,5])(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2{1|C<3>}	H(C[5]C[5]O[5]H)	108.4630	2.622	2	108.4630	6.875	2	108.4630	6.875	2	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	111.9814	2.455	14	111.9814	6.029	14	111.9814	6.029	14	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3){1|N<3>,3|C<3>}	H(C[5]C[5]O[5]H)	110.8870	0.048	2	110.8870	0.002	2	110.7012	0.023	6	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<3>,2|O<1>}	H(C[5]C[5]O[5]H)	110.5745	0.047	2	110.6082	0.003	4	110.7012	0.023	6	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<4>,2|O<1>}	H(C[5]C[5]O[5]H)	110.6420	0.042	2	110.6082	0.003	4	110.7012	0.023	6	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]C)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]O[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	110.6075	0.042	2	110.6075	0.002	2	110.6075	0.002	2	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5370	0.013	2	110.5370	0.000	2	110.5370	0.000	2	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.5785	0.006	2	110.5785	0.000	2	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	109.7060	0.918	2	110.5302	13.402	4	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	111.3545	6.054	2	110.5302	13.402	4	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3){1|O<1>}	H(C[5]C[5]O[5]H)	110.4887	0.124	4	110.4887	0.015	4	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.4548	0.149	4	110.4548	0.022	4	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	110.5480	0.000	1	110.5480	0.000	1	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(C[5]C[5]O[5]H)	110.5745	0.008	2	110.5745	0.000	2	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(C[5]C[5]O[5]H)	111.8871	3.081	16	111.8871	9.492	16	111.1801	6.196	33	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[3x5]CC)(O[5]Ge[3x5])(H)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[3x5]CC)(O[5]Ge[3x5])(H)2{1|Br<1>,2|C<4>,2|O<2>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2{1|Br<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]O[5]H)	109.3220	0.013	2	109.3220	0.000	2	109.3220	0.000	2	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.3110	0.004	2	110.3110	0.000	2	110.5566	0.087	5	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.4080	0.000	1	110.4080	0.000	1	110.5566	0.087	5	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,2|H<1>}	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8765	0.009	2	110.8765	0.000	2	110.5566	0.087	5	111.0838	4.905	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H){2|H<1>,5|C<3>}	H(C[5]C[5]O[5]O)	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:C-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CN)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	110.8860	7.228	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]O)	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	110.8860	7.228	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]O[5]O)	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	110.8860	7.228	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:S-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH)	H(C[5]C[5]O[5]S)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]S)	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]HO)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]O)	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:2:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){1|S<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){1|S<1>}	H(C[5]C[5]O[5]C)	110.2420	0.303	2	110.2420	0.092	2	111.7597	6.956	3	111.3950	4.038	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:2:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	114.7950	0.000	1	114.7950	0.000	1	111.7597	6.956	3	111.3950	4.038	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:2:1:	4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H)	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H)	H(C[5]C[5]O[5]2)	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H){2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]O[5]2)	110.8480	1.116	2	110.8480	1.245	2	110.8480	1.245	2	111.3950	4.038	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.8660	0.000	1	109.8660	0.000	1	109.3515	0.529	2	109.3515	0.529	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.8370	0.000	1	108.8370	0.000	1	109.3515	0.529	2	109.3515	0.529	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:4:4:	4:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H)	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2	H(C[5]C[5]N[5]O)	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H){1|N<2>}	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2{1|N<2>}	H(C[5]C[5]N[5]O)	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	108.7425	0.640	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CC)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3){1|O<1>}	H(C[5]C[5]O[5]C)	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	108.7425	0.640	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]O[5]O)	105.1776	10.364	2	105.1776	107.411	2	107.5667	70.829	3	107.5667	70.829	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]O[5]O)	112.3450	0.000	1	112.3450	0.000	1	107.5667	70.829	3	107.5667	70.829	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:3:2:1:	4:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H)	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H){1|C<4>,1|N<3>}	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H){1|C<4>}	H(C[5]C[5]N[5]O)	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H){1|O<1>}	H(C[5]C[5]O[5]O)	110.7815	0.325	2	110.7815	0.105	2	110.7815	0.105	2	110.7815	0.105	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H){1|O<1>}	H(C[5]C[5]O[5]O)	111.4890	0.276	2	111.4890	0.076	2	111.4890	0.076	2	110.9943	0.772	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	H(C[5]C[5]O[5]O)	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	110.9943	0.772	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CN)(H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CN)(H){1|C<4>,1|F<1>,1|O<2>}	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8210	0.000	1	108.8210	0.000	1	108.8285	0.000	2	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8360	0.000	1	108.8360	0.000	1	108.8285	0.000	2	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]O[5]O)	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[4,5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H){4|C<4>}	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H){2|H<1>,5|C<4>}	H(C[5]C[5]O[5]O)	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,4x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H)	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H){4|C<4>}	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2{1|H<1>,1|N<3>,6|C<4>}	H(C[5]C[5]O[5]O)	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H){1|H<1>,1|P<4>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]O[5]O)	110.4240	0.000	1	110.4240	0.000	1	109.1193	3.956	3	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H){1|H<1>,1|P<4>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]O[5]O)	106.8300	0.000	1	106.8300	0.000	1	109.1193	3.956	3	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]O[5]O)	110.1040	0.000	1	110.1040	0.000	1	109.1193	3.956	3	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	118.0420	0.000	1	118.0420	0.000	1	113.4380	14.724	4	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|Br<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2{5|C<4>}	H(C[5]C[5]O[5]O)	110.2680	0.000	1	110.2680	0.000	1	113.4380	14.724	4	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]O)	112.7210	3.449	2	112.7210	11.897	2	113.4380	14.724	4	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]O[5]O)	110.3190	0.000	1	110.0065	0.195	2	109.9630	0.071	4	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5]O[5]O)	109.6940	0.000	1	110.0065	0.195	2	109.9630	0.071	4	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<4>,2|C<3>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	109.8520	0.000	1	109.8520	0.000	1	109.9630	0.071	4	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]O[5]O)	109.9870	0.000	1	109.9870	0.000	1	109.9630	0.071	4	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	113.3197	3.600	3	113.3197	12.963	3	111.1499	4.639	11	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]O)	109.7990	0.000	1	109.9863	0.098	3	111.1499	4.639	11	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]O)	109.8120	0.000	1	109.9863	0.098	3	111.1499	4.639	11	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]O[5]O)	110.3480	0.000	1	109.9863	0.098	3	111.1499	4.639	11	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	110.4783	0.236	4	110.4783	0.056	4	111.1499	4.639	11	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2{5|C<4>}	H(C[5]C[5]O[5]O)	110.8180	0.000	1	110.8180	0.000	1	111.1499	4.639	11	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]O)	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H)	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H){2|C<4>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2{2|C<4>}	H(C[5]C[5]O[5]O)	113.9330	0.000	1	113.9330	0.000	1	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]O)	111.2690	0.000	1	111.2690	0.000	1	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	110.2360	0.000	1	110.2360	0.000	1	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|C<3>}	H(C[5]C[5]O[5]O)	110.6960	0.000	1	110.6960	0.000	1	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	110.3595	0.638	4	110.3595	0.408	4	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	109.8870	0.000	1	109.8870	0.000	1	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|Se<2>,1|H<1>,1|O<1>}	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2{1|O<1>}	H(C[5]C[5]O[5]O)	110.6940	0.023	2	110.6940	0.001	2	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|H<1>}	H(C[5]C[5]O[5]O)	110.5070	0.000	1	110.5070	0.000	1	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	H(C[5]C[5]O[5]O)	109.7300	0.000	1	109.7300	0.000	1	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	H(C[5]C[5]O[5]O)	110.2990	0.042	2	110.2990	0.002	2	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	H(C[5]C[5]O[5]O)	113.7730	0.000	1	111.9060	6.971	2	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<4>}	H(C[5]C[5]O[5]O)	110.0390	0.000	1	111.9060	6.971	2	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2{1|C<3>}	H(C[5]C[5]O[5]O)	110.7170	0.742	2	110.7170	0.551	2	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	H(C[5]C[5]O[5]O)	111.2560	6.013	2	111.2560	36.159	2	110.8305	3.075	21	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]O)	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	110.7805	4.256	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.1940	0.007	3	109.1940	0.000	3	109.1940	0.000	3	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	H(C[5]C[5]O[5]O)	108.7110	0.000	1	108.7110	0.000	1	108.6043	1.526	3	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]O[5]O)	109.7830	0.000	1	109.7830	0.000	1	108.6043	1.526	3	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	H(C[5]C[5]O[5]O)	107.3190	0.000	1	107.3190	0.000	1	108.6043	1.526	3	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]O[5]O)	109.5890	0.000	1	109.5890	0.000	1	111.4996	3.767	17	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	112.2393	1.929	3	112.2393	3.722	3	111.4996	3.767	17	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	111.9423	2.261	9	111.9423	5.110	9	111.4996	3.767	17	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	110.8440	0.000	1	110.8440	0.000	1	111.4996	3.767	17	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	110.3775	0.066	2	110.3775	0.004	2	111.4996	3.767	17	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	110.1060	0.000	1	110.1060	0.000	1	111.4996	3.767	17	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]O[5]O)	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H){1|O<1>}	H(C[5]C[5]O[5]O)	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H)	H(C[5]C[5]O[5]2)	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]2)	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:S-2:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	H(C[5]C[5]O[5]S)	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:S-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]S)	109.2580	0.000	1	109.1075	0.045	2	109.1075	0.045	2	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:S-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]S)	108.9570	0.000	1	109.1075	0.045	2	109.1075	0.045	2	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:S[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H)	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]S[5])	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>}	H(C[5]C[5]O[5]S[5])	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	H(C[5]C[5]S[5]O)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]S[5]O)	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.5392	3.498	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:2:4:	4:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H)	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3)	H(C[5]C[5]S[5]O)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3){2|C<4>,3|C<3>}	H(C[5]C[5]S[5]O)	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H){3|H<1>}	H(C[5]C[5]O[5]O)	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H){2|C<4>}	H(C[5]C[5]O[5]O)	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H){2|C<4>}	H(C[5]C[5]O[5]O)	110.6570	0.000	1	110.6570	0.000	1	110.7920	0.375	5	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	109.7890	0.000	1	109.7890	0.000	1	110.7920	0.375	5	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H){2|H<1>}	H(C[5]C[5]O[5]O)	111.2570	0.020	2	111.2570	0.000	2	110.7920	0.375	5	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H){1|O<1>}	H(C[5]C[5]O[5]O)	111.0000	0.000	1	111.0000	0.000	1	110.7920	0.375	5	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	H(C[5]C[5]S[5]O)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]O)	110.4144	0.261	5	110.4144	0.068	5	110.4144	0.068	5	110.6531	0.244	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H){3|H<1>}	H(C[5]C[5]O[5]O)	110.6500	0.000	1	110.6500	0.000	1	109.7570	1.595	2	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H){3|H<1>}	H(C[5]C[5]O[5]O)	108.8640	0.000	1	108.8640	0.000	1	109.7570	1.595	2	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]O)	111.0442	0.319	5	111.0442	0.102	5	110.9640	0.120	6	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]O)	110.5630	0.000	1	110.5630	0.000	1	110.9640	0.120	6	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]O[5]O)	115.0655	0.637	2	115.0655	0.406	2	115.0655	0.406	2	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	H(C[5]C[5]O[5]O)	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]O)	110.5020	0.388	3	110.5020	0.150	3	110.6263	0.357	13	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]O)	110.6980	0.000	1	110.6980	0.000	1	110.6263	0.357	13	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H){1|O<1>}	H(C[5]C[5]O[5]O)	111.7345	0.057	2	111.7345	0.003	2	110.6263	0.357	13	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]O)	109.6150	0.000	1	109.6150	0.000	1	110.6263	0.357	13	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]O)	110.5217	0.093	3	110.5217	0.009	3	110.6263	0.357	13	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	110.3820	0.522	2	110.3820	0.272	2	110.6263	0.357	13	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H){2|H<1>}	H(C[5]C[5]O[5]O)	110.5250	0.000	1	110.5250	0.000	1	110.6263	0.357	13	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]O)	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	H(C[5]C[5]O[5]2)	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]2)	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H)	H(C[5]C[5]O[5]2)	C[5](C[5]C[5]2H)(O[5]C[5])2(H){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[5]C[5]O[5]2)	109.3420	0.000	1	109.3420	0.000	1	109.3420	0.000	1	110.8892	1.870	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]O)	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.1630	0.287	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH)	H(C[5]C[5]O[5]2)	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH){4|H<1>,5|C<4>}	H(C[5]C[5]O[5]2)	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	110.1630	0.287	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2{2|C<3>}	H(C[5]C[5]O[5]O)	110.2900	0.438	2	110.2900	0.192	2	110.1490	0.156	3	109.9730	0.136	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3)	H(C[5]C[5]O[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]O)	109.8670	0.000	1	109.8670	0.000	1	110.1490	0.156	3	109.9730	0.136	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(C[5]O[5]2H)(CH3)	H(C[5]C[5]O[5]2)	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(C[5]O[5]2H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]2)	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	109.9730	0.136	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:2:1:	4:4:4:4:	4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	H(C[5]C[5]S[5]O)	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5]S[5]O)	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	109.9730	0.136	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H)	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	109.7777	0.405	3	109.7777	0.164	3	109.7777	0.164	3	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	110.9390	0.000	1	110.4519	1.131	8	110.0807	1.493	10	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]C)	112.1650	0.000	1	110.4519	1.131	8	110.0807	1.493	10	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	110.6043	0.238	4	110.4519	1.131	8	110.0807	1.493	10	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	109.0470	0.733	2	110.4519	1.131	8	110.0807	1.493	10	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[5]O[5]C)	108.5960	0.071	2	108.5960	0.005	2	110.0807	1.493	10	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]O[5]C)	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]O[5]C)	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]N)	110.9580	0.000	1	110.5637	0.073	4	110.5637	0.073	4	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]N)	110.4323	0.081	3	110.5637	0.073	4	110.5637	0.073	4	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	H(C[5]C[5]O[5]N)	109.2740	0.000	1	109.2740	0.000	1	110.1924	0.099	15	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	H(C[5]C[5]O[5]N)	110.0700	0.000	1	110.0700	0.000	1	110.1924	0.099	15	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]N)	110.4350	0.000	1	110.2580	0.063	2	110.1924	0.099	15	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){3|H<1>,4|C<3>}	H(C[5]C[5]O[5]N)	110.0810	0.000	1	110.2580	0.063	2	110.1924	0.099	15	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	H(C[5]C[5]O[5]N)	110.0187	0.108	3	110.2751	0.038	11	110.1924	0.099	15	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	H(C[5]C[5]O[5]N)	110.3713	0.108	8	110.2751	0.038	11	110.1924	0.099	15	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:S[5]-2:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H){4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[5]S[5]C)	110.0640	0.000	1	110.0640	0.000	1	110.0640	0.000	1	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:3:4:1:	4:	C[5]-4:S[5]-2:N-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	H(C[5]C[5]S[5]N)	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]S[5]N)	107.4070	0.000	1	107.4070	0.000	1	107.4070	0.000	1	110.0708	0.686	37	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	108.5018	0.563	4	108.5018	0.316	4	108.6292	0.147	9	108.8122	0.341	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.7140	0.147	2	108.7887	0.028	3	108.6292	0.147	9	108.8122	0.341	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	108.9380	0.000	1	108.7887	0.028	3	108.6292	0.147	9	108.8122	0.341	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.5300	0.000	1	108.5300	0.000	1	108.6292	0.147	9	108.8122	0.341	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{3|C<3>}	H(C[5]C[5]O[5]C)	108.7600	0.000	1	108.7600	0.000	1	108.6292	0.147	9	108.8122	0.341	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	109.0950	0.000	1	109.0950	0.000	1	109.0950	0.000	1	108.8122	0.341	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:1:1:	4:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]C)	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	108.8122	0.341	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.6677	0.103	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	109.6677	0.103	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	109.6677	0.103	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:2:4:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]C)(N[5]C[5])(COO)(H){1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3){1|Br<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H){1|S<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H){1|S<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.3640	0.000	1	108.3640	0.000	1	109.0434	0.673	7	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.6870	0.594	3	108.6870	0.353	3	109.0434	0.673	7	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.9980	0.800	2	109.9980	0.641	2	109.0434	0.673	7	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.8830	0.000	1	108.8830	0.000	1	109.0434	0.673	7	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	112.3820	0.245	2	112.3820	0.060	2	112.3820	0.060	2	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	109.7549	0.249	7	109.8861	0.191	8	109.6235	0.626	12	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	110.8050	0.000	1	109.8861	0.191	8	109.6235	0.626	12	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.0740	0.000	1	109.0740	0.000	1	109.6235	0.626	12	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	108.7160	0.000	1	108.7160	0.000	1	109.6235	0.626	12	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	107.9470	0.000	1	107.9470	0.000	1	109.6235	0.626	12	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	110.6560	0.000	1	110.6560	0.000	1	109.6235	0.626	12	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.7870	0.000	1	109.7870	0.000	1	109.2324	0.233	8	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.2090	0.008	2	109.2090	0.000	2	109.2324	0.233	8	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]C)	109.5130	0.000	1	109.5130	0.000	1	109.2324	0.233	8	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	108.3230	0.000	1	108.3230	0.000	1	109.2324	0.233	8	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.0420	0.303	2	109.0420	0.092	2	109.2324	0.233	8	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]C)	109.7340	0.000	1	109.7340	0.000	1	109.2324	0.233	8	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H)	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H){1|C<4>,2|N<3>}	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H){2|N<3>}	H(C[5]C[5]O[5]C)	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H){3|C<3>}	H(C[5]C[5]O[5]N)	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H){1|C<4>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]N)	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]S[5]C)	110.2920	0.000	1	110.2920	0.000	1	110.2920	0.000	1	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:1:	4:	C[5]-4:S[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]S[5]C)	109.7682	0.580	8	109.7682	0.336	8	109.7682	0.336	8	109.6941	0.956	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:2:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	109.4445	0.693	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:2:	4:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH){1|H<1>,2|C<3>}	H(C[5]C[5]S[5]C)	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	109.4445	0.693	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:3:4:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(NCC)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3)	H(C[5]C[5]O[5]N)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(NCC)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]N)	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	B[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]B[6a]C[5]H)(N[5]C[5])(COO)(H)	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]B[6a]C[5]H)(N[5]C[5])(COO)(H){2|C<3>,2|H<1>,2|N<3>}	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6240	0.000	1	109.6240	0.000	1	109.6240	0.000	1	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.0230	0.000	1	108.0230	0.000	1	108.7383	1.160	3	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0960	1.246	2	109.0960	1.552	2	108.7383	1.160	3	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.6670	0.000	1	109.6670	0.000	1	109.6738	0.656	5	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.7600	1.420	2	109.7600	2.016	2	109.6738	0.656	5	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.0530	0.000	1	109.0530	0.000	1	109.6738	0.656	5	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	110.1290	0.000	1	110.1290	0.000	1	109.6738	0.656	5	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H){2|C<3>}	H(C[5]C[5]O[5]C)	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	110.8420	0.000	1	110.8420	0.000	1	110.8488	3.189	5	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]O[5]C)	108.2930	0.000	1	108.2930	0.000	1	110.8488	3.189	5	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	111.7030	1.420	3	111.7030	2.017	3	110.8488	3.189	5	109.7774	1.899	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2{2|C<4>,3|C<3>}	H(C[5]C[5]N[6]O[5])	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CNO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CNO)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	108.9309	20.218	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H){1|C<3>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	108.9309	20.218	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H){1|C<3>}	C[5](C[5]O[5]CH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	109.7090	0.369	2	109.7090	0.136	2	109.7090	0.136	2	108.9309	20.218	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.2580	0.000	1	109.2580	0.000	1	107.3015	30.857	5	108.9309	20.218	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.7110	0.000	1	109.7110	0.000	1	107.3015	30.857	5	108.9309	20.218	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.0705	0.606	2	110.0705	0.367	2	107.3015	30.857	5	108.9309	20.218	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	97.3974	0.000	1	97.3974	0.000	1	107.3015	30.857	5	108.9309	20.218	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H)	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H){2|O<2>}	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H){2|O<2>}	H(C[5]C[5]O[5]C)	109.2652	0.637	16	109.2652	0.406	16	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H)	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H){1|B<3>}	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H){1|B<3>}	H(C[5]C[5]O[5]C)	110.1314	0.991	8	110.1314	0.982	8	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H)	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.1040	0.038	2	109.1040	0.001	2	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	112.4086	2.027	5	111.4303	5.535	7	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.9845	0.162	2	111.4303	5.535	7	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.6355	0.323	2	109.6355	0.104	2	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	112.0155	0.357	2	112.0155	0.128	2	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.7739	0.647	14	109.7739	0.418	14	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	111.2010	2.077	6	110.9267	3.338	8	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	110.1040	0.034	2	110.9267	3.338	8	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H)	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H){1|C<4>}	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H){1|C<4>}	H(C[5]C[5]O[5]C)	109.9760	0.332	4	109.9760	0.110	4	110.0789	1.868	63	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(C[5]O[5]O)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(C[5]O[5]O)(H){1|As<4>,1|O<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(C[5]O[5]O)(H){1|As<4>,1|O<1>,3|O<2>}	H(C[5]C[5]2O[5])	108.3973	0.373	6	108.3973	0.139	6	109.9543	22.689	10	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H){1|Si<5>,1|C<3>,1|O<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H){1|Si<5>,1|C<3>,1|O<1>,3|O<2>}	H(C[5]C[5]2O[5])	112.2897	7.464	4	112.2897	55.716	4	109.9543	22.689	10	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7655	0.271	2	109.7655	0.073	2	109.7655	0.073	2	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:3:1:	4:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H)	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]C)	107.1615	0.916	2	107.1615	0.839	2	107.1615	0.839	2	109.9788	4.441	77	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(CNO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5])(CNO)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<4>}	H(C[5]C[5]N[5]C)	109.3749	0.624	8	109.3749	0.389	8	109.3749	0.389	8	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<2>}	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H){1|O<2>}	H(C[5]C[5]O[5]C)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.7965	0.967	2	108.7965	0.934	2	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.3690	0.000	1	108.3690	0.000	1	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5300	0.000	1	109.1990	0.219	2	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8680	0.000	1	109.1990	0.219	2	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.7840	0.000	1	109.7840	0.000	1	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	107.4240	0.000	1	107.4240	0.000	1	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.1335	0.397	2	110.1335	0.157	2	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.2400	0.000	1	109.2400	0.000	1	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	111.5680	0.000	1	111.5680	0.000	1	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.5800	0.000	1	108.5800	0.000	1	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.6330	0.000	1	109.6330	0.000	1	109.2966	1.135	13	109.3375	0.783	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:2:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H){1|C<3>}	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	H(C[5]C[5]O[5]C)	110.3045	0.346	2	110.3045	0.120	2	110.3045	0.120	2	109.9143	0.516	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:2:4:2:	4:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H)	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH)	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H){1|C<3>}	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	H(C[5]C[5]S[5]C)	109.1340	0.000	1	109.1340	0.000	1	109.1340	0.000	1	109.9143	0.516	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){2|C<3>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	110.1240	0.137	2	110.1240	0.019	2	110.1240	0.019	2	109.6187	0.775	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	109.6187	0.775	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]O[5]C)	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]O[5]C)	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.2837	0.430	3	110.2837	0.185	3	110.0107	0.562	6	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.3025	0.286	2	110.3025	0.082	2	110.0107	0.562	6	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H)	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.6080	0.000	1	108.6080	0.000	1	110.0107	0.562	6	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	109.3260	0.000	1	109.3260	0.000	1	108.4395	1.572	2	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	107.5530	0.000	1	107.5530	0.000	1	108.4395	1.572	2	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.8490	1.585	2	109.8490	2.513	2	109.5580	2.250	5	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	107.6470	0.000	1	107.6470	0.000	1	109.5580	2.250	5	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.2780	0.000	1	109.2780	0.000	1	109.5580	2.250	5	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	111.1670	0.000	1	111.1670	0.000	1	109.5580	2.250	5	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H)	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H){1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5]O[5]N)	110.3840	0.016	2	110.3840	0.000	2	110.3840	0.000	2	109.5186	1.413	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:3:4:2:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(N[5]C[5])(COO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CO)(N[5]C[5])(COO)(H){1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC){1|H<1>}	H(C[5]C[5]N[5]C)	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]C)	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	107.2370	0.000	1	107.2370	0.000	1	108.9427	1.877	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5])(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|H<1>}	H(C[5]C[5]N[5]C)	109.2170	0.000	1	109.2170	0.000	1	108.9427	1.877	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CN[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5])(CN[5]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>}	H(C[5]C[5]N[5]C)	110.5590	0.000	1	110.5590	0.000	1	108.9427	1.877	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(COO)(H)	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5])(COO)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.7580	0.000	1	108.7580	0.000	1	108.9427	1.877	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H){1|O<2>,2|C<4>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]C)	110.2512	0.694	4	110.2512	0.482	4	110.2512	0.482	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2{3|C<4>}	H(C[5]C[5]O[5]C)	109.4200	0.000	1	109.4200	0.000	1	109.8028	0.797	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]O[5]C)	109.2130	0.000	1	109.2130	0.000	1	109.8028	0.797	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	111.1330	0.000	1	111.1330	0.000	1	109.8028	0.797	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H){1|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	109.4450	0.000	1	109.4450	0.000	1	109.8028	0.797	4	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]N[5,6])(COO)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6,6]HH)(O[5]N[5,6])(COO)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H){1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	108.1100	0.000	1	108.1100	0.000	1	109.5516	1.144	8	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.4600	0.000	1	109.4600	0.000	1	109.5516	1.144	8	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	108.6680	0.000	1	108.6680	0.000	1	109.5516	1.144	8	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	109.5520	0.000	1	109.5520	0.000	1	109.5516	1.144	8	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5]O[5]C)	111.6330	0.000	1	111.6330	0.000	1	109.5516	1.144	8	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,2|N<3>,2|O<1>}	H(C[5]C[5]O[5]C)	109.5400	0.824	2	109.5400	0.680	2	109.5516	1.144	8	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	109.9100	0.000	1	109.9100	0.000	1	109.5516	1.144	8	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	109.0380	0.000	1	109.0380	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.8525	0.247	2	109.8525	0.061	2	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	108.4480	0.000	1	108.4480	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	115.7940	0.000	1	115.7940	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	109.9300	0.000	1	109.9300	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.0620	0.000	1	109.0620	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	109.5750	0.000	1	109.5750	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	110.2230	0.000	1	110.2230	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H)	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H){1|O<1>,2|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]O[5]C)	110.2710	0.000	1	110.2710	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	92.8931	0.000	1	92.8931	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	108.8490	0.000	1	108.8490	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	111.5077	0.395	3	111.5077	0.156	3	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]C)	108.8840	0.000	1	108.8840	0.000	1	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.6915	0.942	4	109.6915	0.888	4	109.2981	17.565	20	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H)	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5a]C[5]O[5])	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2	H(C[5]C[5]O[5]N)	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]N)	110.1010	3.018	2	110.1010	9.108	2	109.6957	1.104	10	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	H(C[5]C[5]O[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]N)	109.1790	0.000	1	109.1790	0.000	1	109.6957	1.104	10	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	H(C[5]C[5]O[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]N)	109.4310	0.000	1	109.4310	0.000	1	109.6957	1.104	10	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2	H(C[5]C[5]O[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2{2|H<1>}	H(C[5]C[5]O[5]N)	109.5385	0.223	2	109.5385	0.050	2	109.6957	1.104	10	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	H(C[5]C[5]O[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]N)	109.8390	0.085	2	109.8390	0.007	2	109.6957	1.104	10	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2	H(C[5]C[5]O[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2{2|H<1>}	H(C[5]C[5]O[5]N)	109.6950	0.117	2	109.6950	0.014	2	109.6957	1.104	10	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	H(C[5]C[5]N[6]O[5])	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[6]O[5])	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	109.4683	6.852	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.2945	0.018	2	109.2945	0.000	2	109.4445	0.339	6	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.7550	0.000	1	108.7550	0.000	1	109.4445	0.339	6	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.3190	0.000	1	109.3190	0.000	1	109.4445	0.339	6	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H){2|C<3>,2|O<1>}	H(C[5]C[5]O[5]C)	110.0020	0.733	2	110.0020	0.537	2	109.4445	0.339	6	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8340	0.000	1	108.8340	0.000	1	110.4687	1.822	7	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	H(C[5]C[5]O[5]C)	112.4130	0.000	1	112.4130	0.000	1	110.4687	1.822	7	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.2780	0.000	1	109.2780	0.000	1	110.4687	1.822	7	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.9095	0.586	2	109.9095	0.344	2	110.4687	1.822	7	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	H(C[5]C[5]O[5]C)	111.4685	0.308	2	111.4685	0.095	2	110.4687	1.822	7	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.3860	0.000	1	109.3860	0.000	1	110.3660	1.921	2	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	111.3460	0.000	1	111.3460	0.000	1	110.3660	1.921	2	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:N[6a]-3:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.9321	1.245	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5])(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5])(COO)(H){3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8230	0.030	2	109.8230	0.001	2	109.8230	0.001	2	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]C)	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.3880	0.714	2	109.3880	0.510	2	109.1297	1.510	7	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]O[5]C)	107.5805	0.936	2	108.1873	1.542	3	109.1297	1.510	7	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){3|C<3>}	H(C[5]C[5]O[5]C)	109.4010	0.000	1	108.1873	1.542	3	109.1297	1.510	7	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	110.2630	0.000	1	110.2850	0.001	2	109.1297	1.510	7	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	H(C[5]C[5]O[5]C)	110.3070	0.000	1	110.2850	0.001	2	109.1297	1.510	7	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H){4|C<3>}	H(C[5]C[5]O[5]C)	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,6|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	109.2433	0.939	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH){1|O<1>}	H(C[5]C[5]O[5]C)	110.1972	0.398	4	110.1972	0.158	4	110.1972	0.158	4	110.1972	0.158	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:3:4:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN)	H(C[5]C[5]O[5]C)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5]O[5]C)	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5])(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5])(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H){1|C<3>}	H(C[5]C[5]N[5]C)	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	110.3954	5.108	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	110.3954	5.108	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5630	0.000	1	109.5630	0.000	1	110.9125	7.162	6	110.3954	5.108	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	111.6777	3.978	3	111.6777	15.827	3	110.9125	7.162	6	110.3954	5.108	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.1850	0.000	1	110.1850	0.000	1	110.9125	7.162	6	110.3954	5.108	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.6940	0.000	1	110.6940	0.000	1	110.9125	7.162	6	110.3954	5.108	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:N-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H)	H(C[5]C[5]O[5]N)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]N)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	110.3954	5.108	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	107.5250	0.000	1	107.5250	0.000	1	109.2115	5.689	2	109.2115	5.689	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(C[5]C[5]O[5]C)	110.8980	0.000	1	110.8980	0.000	1	109.2115	5.689	2	109.2115	5.689	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:3:1:	4:4:4:4:	4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5])(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5])(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>}	H(C[5]C[5]N[5]C)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|C<2>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:3:4:3:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO){3|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	108.6435	0.359	2	108.6435	0.129	2	108.6435	0.129	2	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	108.9650	0.253	3	108.9836	0.092	5	108.9750	0.178	7	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.0115	0.489	2	108.9836	0.092	5	108.9750	0.178	7	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	109.5430	0.000	1	109.5430	0.000	1	108.9750	0.178	7	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	108.3640	0.000	1	108.3640	0.000	1	108.9750	0.178	7	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	112.5210	0.000	1	109.6213	3.946	4	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]O[5]C)	109.2550	0.000	1	109.6213	3.946	4	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	108.3545	0.295	2	109.6213	3.946	4	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	108.9420	0.000	1	108.9420	0.000	1	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.1855	0.814	2	109.1855	0.662	2	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.1430	0.000	1	108.1430	0.000	1	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	107.2060	0.000	1	108.6842	0.555	6	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	108.9778	0.224	4	108.6842	0.555	6	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{3|C<3>}	H(C[5]C[5]O[5]C)	108.9880	0.000	1	108.6842	0.555	6	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	109.5060	0.000	1	109.5060	0.000	1	109.0368	1.318	15	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|O<1>,2|N<3>}	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2{2|N<3>}	H(C[5]C[5]O[5]C)	105.8450	0.000	1	105.8450	0.000	1	109.3264	3.933	10	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	109.7343	1.043	4	109.7343	1.087	4	109.3264	3.933	10	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	107.6320	0.000	1	107.6320	0.000	1	109.3264	3.933	10	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	108.2640	0.000	1	108.2640	0.000	1	109.3264	3.933	10	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	109.7830	0.000	1	109.7830	0.000	1	109.3264	3.933	10	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H)	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]O[5]C)	113.2080	0.000	1	113.2080	0.000	1	109.3264	3.933	10	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	109.5950	0.000	1	109.5950	0.000	1	109.3264	3.933	10	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H){1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]O[5]C)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H){3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	H(C[5]C[5]O[5]C)	109.2360	0.000	1	109.2360	0.000	1	110.2442	1.206	19	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	H(C[5]C[5]O[5]C)	109.4980	0.170	2	109.4980	0.029	2	110.2442	1.206	19	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H){3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{4|C<3>}	H(C[5]C[5]O[5]C)	109.7280	0.000	1	109.7280	0.000	1	110.2442	1.206	19	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	110.0503	0.428	9	110.0503	0.183	9	110.2442	1.206	19	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	111.2220	1.781	5	111.2220	3.171	5	110.2442	1.206	19	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	110.1170	0.000	1	110.1170	0.000	1	110.2442	1.206	19	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:1:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]Se[5]C[5]C)	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	109.4945	1.751	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3900	0.000	1	109.3900	0.000	1	110.0110	2.520	3	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H){1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8280	0.000	1	108.8280	0.000	1	110.0110	2.520	3	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	111.8150	0.000	1	111.8150	0.000	1	110.0110	2.520	3	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	107.5570	0.072	2	107.5570	0.005	2	107.5570	0.005	2	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.1940	0.000	1	109.1940	0.000	1	109.2115	0.001	2	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	109.2290	0.000	1	109.2290	0.000	1	109.2115	0.001	2	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	110.3520	0.656	2	110.3520	0.431	2	110.3520	0.431	2	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	109.6900	0.000	1	109.6900	0.000	1	109.2100	0.234	4	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	109.5360	0.000	1	109.0500	0.198	3	109.2100	0.234	4	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	108.8070	0.204	2	109.0500	0.198	3	109.2100	0.234	4	109.3165	1.336	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H)	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H){2|C<3>}	H(C[5]C[5]N[5]C)	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(COO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	107.8370	0.259	2	107.8370	0.067	2	107.8370	0.067	2	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	108.6240	0.000	1	108.6240	0.000	1	109.3863	0.442	3	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.7675	0.107	2	109.7675	0.011	2	109.3863	0.442	3	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H)	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.3230	0.000	1	109.3230	0.000	1	109.4750	0.046	2	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	109.6270	0.000	1	109.6270	0.000	1	109.4750	0.046	2	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	109.3965	0.257	2	109.3965	0.066	2	109.3965	0.066	2	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:P-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H)	H(C[5]C[5]O[5]P)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]P)	107.3597	0.165	3	107.3597	0.027	3	107.9536	0.686	5	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:P-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H)	H(C[5]C[5]O[5]P)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]P)	108.8445	0.213	2	108.8445	0.045	2	107.9536	0.686	5	108.7411	0.914	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH){1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.0720	0.547	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	108.0720	0.547	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:3:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:C-3:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.2330	0.000	1	109.2330	0.000	1	108.5177	0.444	3	109.3232	0.875	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.1600	0.346	2	108.1600	0.120	2	108.5177	0.444	3	109.3232	0.875	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	109.3232	0.875	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H){3|C<3>}	H(C[5]C[5]O[5]C)	108.8580	0.734	2	108.8580	0.539	2	108.8580	0.539	2	109.3232	0.875	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.9746	0.835	8	109.9746	0.698	8	109.9746	0.698	8	109.3232	0.875	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H){3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H){4|C<3>}	H(C[5]C[5]O[5]C)	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	109.3232	0.875	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<3>,2|N<2>,3|H<1>}	H(C[5]C[5]O[5]C)	108.8905	0.680	2	108.8905	0.462	2	108.8905	0.462	2	109.3232	0.875	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	107.7220	0.027	2	107.7220	0.001	2	107.7220	0.001	2	107.8871	0.041	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	108.0415	0.073	2	108.0415	0.005	2	108.0415	0.005	2	107.8871	0.041	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2{2|C<3>}	H(C[5]C[5]O[5]C)	107.7440	0.010	2	107.7440	0.000	2	107.8943	0.068	3	107.8871	0.041	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	3:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2{2|C<3>}	H(C[5]C[5]O[5]C)	108.1950	0.000	1	108.1950	0.000	1	107.8943	0.068	3	107.8871	0.041	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	108.6252	1.096	4	109.7046	4.478	7	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]C)	111.1437	2.489	3	109.7046	4.478	7	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	108.8370	0.704	29	108.8661	1.198	51	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]C)	108.9044	1.480	22	108.8661	1.198	51	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	109.2500	0.000	1	109.2500	0.000	1	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	109.3822	0.515	4	109.5950	0.425	5	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]C)	110.4460	0.000	1	109.5950	0.425	5	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	109.4673	0.834	3	109.5710	0.507	4	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]C)	109.8820	0.000	1	109.5710	0.507	4	109.0531	1.452	68	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]C)	109.1245	0.098	2	109.1245	0.010	2	109.1245	0.010	2	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<3>}	C[5](C[5]O[5]CH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	109.8650	0.000	1	109.8650	0.000	1	110.0525	0.070	2	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>}	C[5](C[5]O[5]CH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	110.2400	0.000	1	110.2400	0.000	1	110.0525	0.070	2	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	112.4643	0.592	3	112.4643	0.351	3	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.0708	0.666	4	110.0708	0.443	4	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.7705	0.321	6	109.7705	0.103	6	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.8947	0.467	3	109.8947	0.218	3	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	112.2940	0.000	1	112.2940	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	111.1910	0.000	1	111.1910	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.4080	0.000	1	109.6255	0.094	4	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.6980	0.330	3	109.6255	0.094	4	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	110.1350	0.494	2	110.1350	0.244	2	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	109.9415	0.340	2	109.9415	0.116	2	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.9430	0.000	1	109.9430	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.7215	0.615	4	109.7215	0.379	4	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]C)	109.9320	0.000	1	109.6190	0.230	13	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	110.0020	0.000	1	109.6190	0.230	13	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.5557	0.497	11	109.6190	0.230	13	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	109.8670	0.000	1	109.8670	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.2080	0.000	1	110.2080	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.9525	0.841	2	110.3243	0.378	11	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.4069	0.585	9	110.3243	0.378	11	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.0227	4.978	3	110.0227	24.785	3	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.0853	0.396	3	110.0853	0.157	3	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.3050	0.000	1	110.3050	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	110.3547	0.248	7	110.3740	0.107	17	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.9180	0.000	1	110.3740	0.107	17	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.4397	0.369	9	110.3740	0.107	17	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	110.1390	0.000	1	110.1390	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.4130	0.000	1	110.4130	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	112.3660	0.000	1	112.3660	0.000	1	110.1851	1.176	84	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H)	C[5](C[5]S[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H){1|S<2>}	C[5](C[5]S[5]CH)(N[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]S[5]C)	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H){1|C<3>}	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]S[5]C)	109.5930	0.000	1	109.5930	0.000	1	109.3790	0.092	2	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H){1|S<1>}	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|S<1>}	H(C[5]C[5]S[5]C)	109.1650	0.000	1	109.1650	0.000	1	109.3790	0.092	2	109.6709	1.547	159	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.4490	0.000	1	109.4490	0.000	1	109.7795	0.218	2	109.7795	0.218	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.1100	0.000	1	110.1100	0.000	1	109.7795	0.218	2	109.7795	0.218	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H){1|O<2>}	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<2>}	H(C[5]C[5]N[5]C)	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<4>}	C[5](C[5]O[5]CH)(N[5]C[5])(CNO)(H){1|C<4>}	H(C[5]C[5]O[5]C)	109.9813	0.275	8	109.9813	0.075	8	109.9813	0.075	8	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.3400	0.000	1	109.3400	0.000	1	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.1160	0.000	1	109.1160	0.000	1	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.3085	1.949	2	110.3085	3.801	2	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.0790	0.000	1	110.0790	0.000	1	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.4220	0.670	2	109.4220	0.449	2	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.2230	0.000	1	109.2230	0.000	1	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.3190	0.000	1	109.3190	0.000	1	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.8540	0.000	1	109.5155	0.229	2	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.1770	0.000	1	109.5155	0.229	2	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.0870	0.000	1	109.0870	0.000	1	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.3180	0.000	1	109.3180	0.000	1	109.5365	0.550	13	109.6713	0.413	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H){1|C<4>}	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H){1|C<4>}	H(C[5]C[5]O[5]C)	108.4950	0.798	8	108.4950	0.636	8	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H){1|C<3>}	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H){1|C<3>}	H(C[5]C[5]O[5]C)	109.2395	0.398	2	109.2395	0.158	2	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.9094	1.026	14	108.9094	1.053	14	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	109.0495	1.828	2	109.0495	3.341	2	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.6636	1.190	34	108.6636	1.416	34	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	109.5690	0.033	2	109.7713	0.033	6	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.8725	0.115	4	109.7713	0.033	6	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.7700	0.178	2	109.7700	0.032	2	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.5320	0.385	4	110.5320	0.149	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	107.3294	0.836	5	107.3294	0.698	5	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.7366	0.683	18	108.7366	0.466	18	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.5931	0.614	7	109.5972	0.327	9	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	H(C[5]C[5]O[5]C)	109.6115	0.593	2	109.5972	0.327	9	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.9027	0.990	3	110.9027	0.980	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.5550	0.000	1	109.6433	0.011	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.6875	0.097	2	109.6433	0.011	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.5657	1.640	3	109.5657	2.689	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.4985	1.332	4	108.4985	1.773	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.4400	0.000	1	110.4400	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.8238	0.298	4	109.8238	0.089	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.8170	1.416	4	108.8170	2.006	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	107.5920	0.278	5	107.5920	0.078	5	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.9340	0.000	1	108.3970	1.773	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	107.6285	0.046	2	108.3970	1.773	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	112.2190	0.000	1	112.2190	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.2450	0.000	1	110.2450	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.2603	1.340	3	110.2603	1.796	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H){2|H<1>}	H(C[5]C[5]O[5]C)	108.6590	0.000	1	108.6590	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.5900	0.000	1	109.5900	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.0310	0.217	3	109.0310	0.047	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.5670	0.000	1	109.5670	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.3630	0.000	1	110.3630	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.1670	0.000	1	110.1670	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.1230	0.652	2	110.1230	0.425	2	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.3040	0.000	1	110.3040	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.1320	0.000	1	109.1320	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.0780	1.842	3	110.0780	3.391	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H){2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	H(C[5]C[5]O[5]C)	110.6510	0.000	1	110.6510	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H){1|H<1>,1|O<2>}	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	110.2985	6.954	2	110.2985	48.364	2	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.4545	2.409	4	110.4545	5.801	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.9120	0.000	1	108.9120	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.3990	0.000	1	109.3990	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5205	0.630	2	109.5847	0.211	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.7130	0.000	1	109.5847	0.211	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	91.9732	1.606	2	100.8903	106.960	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.8075	0.487	2	100.8903	106.960	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.7542	0.599	4	109.7542	0.359	4	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.0780	2.400	3	108.0780	5.758	3	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.7230	0.000	1	109.7230	0.000	1	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.7740	1.222	8	109.7740	1.492	8	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.1493	0.336	6	109.1493	0.113	6	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H){1|O<1>,1|O<2>}	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H){1|O<1>,1|O<2>}	H(C[5]C[5]O[5]C)	99.1471	0.802	2	99.1471	0.643	2	108.8842	5.726	194	108.8842	5.726	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-2:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	109.2015	0.567	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	H(C[5]C[5]O[5]C)	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	109.2015	0.567	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:3:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO){2|C<4>}	H(C[5]C[5]O[5]C)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|B<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|B<4>}	H(C[5]C[5]N[5]C)	107.8663	0.416	3	107.7308	0.134	12	107.7308	0.134	12	107.9469	0.418	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>}	H(C[5]C[5]N[5]C)	107.7308	0.175	6	107.7308	0.134	12	107.7308	0.134	12	107.9469	0.418	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<4>}	H(C[5]C[5]N[5]C)	107.5953	0.659	3	107.7308	0.134	12	107.7308	0.134	12	107.9469	0.418	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3){1|O<1>}	H(C[5]C[5]O[5]C)	109.1260	0.000	1	109.1260	0.000	1	109.2435	0.028	2	107.9469	0.418	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:2:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	H(C[5]C[5]O[5]C)	109.3610	0.000	1	109.3610	0.000	1	109.2435	0.028	2	107.9469	0.418	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H){1|C<1>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.0320	0.000	1	108.0320	0.000	1	108.0320	0.000	1	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H)	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H){1|C<4>,1|N<3>}	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2{1|C<4>}	H(C[5]C[5]N[5]C)	108.7125	1.039	2	108.7125	1.079	2	108.7125	1.079	2	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	112.5195	1.458	4	112.5195	2.125	4	111.7832	4.305	5	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	108.8380	0.000	1	108.8380	0.000	1	111.7832	4.305	5	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|S<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	110.1045	1.032	2	110.1045	1.064	2	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,2|C<4>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	97.9266	0.000	1	97.9266	0.000	1	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	109.6780	0.000	1	110.6757	1.705	4	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	111.0083	1.376	3	110.6757	1.705	4	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<2>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]O[5]C)	109.4270	0.000	1	109.4270	0.000	1	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	111.5138	2.244	5	111.5138	5.037	5	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	110.8675	1.622	4	110.8675	2.631	4	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H){1|C<3>,2|O<1>}	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2{2|O<1>}	H(C[5]C[5]O[5]C)	110.3210	0.018	2	110.3210	0.000	2	110.1025	10.925	19	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H){1|H<1>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2{1|S<1>}	H(C[5]C[5]S[5]C)	113.4240	0.000	1	113.4240	0.000	1	111.5170	7.273	2	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H)	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H){1|N<2>,1|S<4>}	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2{1|N<2>}	H(C[5]C[5]S[5]C)	109.6100	0.000	1	109.6100	0.000	1	111.5170	7.273	2	110.3225	8.824	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:2:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	C[5](C[5]O[5]CH)(C[5]N[5]C)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	C[5](C[5]O[5]CH)(C[5]N[5]C)(COO)(H)	H(C[5]C[5]O[5]C)	109.7440	1.257	2	109.7440	1.581	2	109.7440	1.581	2	109.6373	1.475	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H){1|O<1>}	H(C[5]C[5]O[5]C)	107.5210	0.000	1	107.5210	0.000	1	109.6069	1.698	7	109.6373	1.475	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CNO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.3740	0.000	1	110.3740	0.000	1	109.6069	1.698	7	109.6373	1.475	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.9320	0.000	1	109.9320	0.000	1	109.6069	1.698	7	109.6373	1.475	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.3270	0.000	1	108.3270	0.000	1	109.6069	1.698	7	109.6373	1.475	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]Ru)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,1|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]Ru)(COO)(H){1|H<1>}	H(C[5]C[5]O[5]C)	110.9075	0.117	2	110.9075	0.014	2	109.6069	1.698	7	109.6373	1.475	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H){2|H<1>}	H(C[5]C[5]O[5]C)	109.2790	0.000	1	109.2790	0.000	1	109.6069	1.698	7	109.6373	1.475	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	108.8900	0.422	3	108.8900	0.178	3	109.1088	0.179	5	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){1|O<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	H(C[5]C[5]N[5]C)	109.4570	0.000	1	109.4570	0.000	1	109.1088	0.179	5	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H){1|S<2>,5|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.4170	0.000	1	109.4170	0.000	1	109.1088	0.179	5	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]C)	108.7025	0.332	2	108.7025	0.110	2	108.7025	0.110	2	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.3190	0.164	2	109.3190	0.027	2	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.9062	0.630	4	108.9062	0.397	4	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.8380	0.000	1	109.8380	0.000	1	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.4745	0.066	2	109.4745	0.004	2	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.8762	0.292	4	108.8762	0.085	4	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.3377	0.192	3	108.3377	0.037	3	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.3910	0.000	1	109.4160	0.521	4	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.7577	0.286	3	109.4160	0.521	4	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.9230	0.000	1	108.9230	0.000	1	109.0550	0.326	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	H(C[5]C[5]O[5]C)	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[5]O[5]C)	110.2030	0.723	2	110.2030	0.522	2	110.2030	0.522	2	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|C<3>,2|C<4>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.9495	1.118	2	108.9495	1.250	2	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.2860	0.046	8	109.2860	0.002	8	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,1|S<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	111.1520	0.000	1	111.1520	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.8680	0.000	1	108.8680	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	107.8850	0.000	1	107.8850	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	113.0270	0.000	1	113.0270	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.3810	0.000	1	108.3810	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.6840	0.000	1	108.6840	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	112.4430	0.000	1	112.4430	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	112.6880	0.000	1	112.6880	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|C<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.1380	0.000	1	108.1380	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.8760	0.000	1	109.8760	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	113.1690	0.000	1	113.1690	0.000	1	109.8332	2.714	21	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|Re<6>,1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H)	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H)	H(C[5]C[5]O[5]P)	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H){1|H<1>,2|O<1>}	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H){2|O<1>}	H(C[5]C[5]O[5]P)	109.1580	0.948	2	109.1580	0.898	2	109.1580	0.898	2	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H){1|H<1>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H){1|S<1>}	H(C[5]C[5]S[5]C)	107.1690	0.000	1	107.1690	0.000	1	108.6413	1.628	3	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|C<4>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H){1|S<1>}	H(C[5]C[5]S[5]C)	109.4290	0.000	1	109.4290	0.000	1	108.6413	1.628	3	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|H<1>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H){1|S<1>}	H(C[5]C[5]S[5]C)	109.3260	0.000	1	109.3260	0.000	1	108.6413	1.628	3	109.3663	1.358	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:3:4:3:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]C)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<2>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]O[5]C)	108.9213	0.512	4	108.9213	0.262	4	108.9213	0.262	4	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]O[5]C)	109.4065	0.134	2	109.4065	0.018	2	109.4065	0.018	2	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,2|C<4>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]C)	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.2800	0.071	2	109.1840	0.028	4	109.3460	0.337	7	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.0880	0.206	2	109.1840	0.028	4	109.3460	0.337	7	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H){1|C<4>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.7120	0.000	1	108.7120	0.000	1	109.3460	0.337	7	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]C)	110.5400	0.000	1	110.5400	0.000	1	109.3460	0.337	7	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H){3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	109.4340	0.000	1	109.4340	0.000	1	109.3460	0.337	7	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,2|C<3>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	109.8717	0.226	3	109.8717	0.051	3	109.8717	0.051	3	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H)	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	108.2730	0.000	1	108.2730	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	107.3670	0.000	1	107.3670	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.8750	0.000	1	108.8750	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	109.6020	0.000	1	109.6020	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	109.3510	0.000	1	109.3510	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	108.0890	0.000	1	108.0890	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	113.6270	0.000	1	113.6270	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5560	0.000	1	109.5560	0.000	1	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	108.4867	0.861	3	108.4867	0.742	3	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	108.5680	0.030	2	108.5680	0.001	2	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	109.8595	0.780	2	109.8595	0.608	2	109.1370	2.193	15	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	107.9050	0.000	1	107.9050	0.000	1	107.5582	0.078	6	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	107.4888	0.249	5	107.4888	0.062	5	107.5582	0.078	6	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	110.3277	2.224	3	110.3277	4.946	3	109.1817	2.063	9	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.6087	0.374	6	108.6087	0.140	6	109.1817	2.063	9	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H)	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	108.3910	0.000	1	108.3910	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]C)	109.2290	0.000	1	109.2290	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]C)	109.7670	0.000	1	109.0117	0.282	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	108.8606	0.426	5	109.0117	0.282	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	109.0860	0.000	1	109.6270	0.585	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.1680	0.000	1	109.6270	0.585	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	111.7820	0.000	1	111.7820	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	108.3030	1.246	2	108.3030	1.552	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.4085	0.889	2	109.4085	0.790	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]C)	109.4370	0.000	1	109.4370	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.4660	0.000	1	109.4660	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	108.4940	0.124	2	108.4940	0.015	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.0580	0.000	1	109.0580	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Cl<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.3932	0.168	5	108.3932	0.028	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.0320	0.576	3	108.7300	0.586	4	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	107.8240	0.000	1	108.7300	0.586	4	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5140	0.000	1	109.5140	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.1788	0.266	5	109.1788	0.071	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	109.1980	0.000	1	108.6908	0.254	31	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	107.6090	0.000	1	108.6908	0.254	31	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.0450	0.297	9	108.6908	0.254	31	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	108.5601	0.460	20	108.6908	0.254	31	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	108.2450	0.000	1	109.0722	0.172	11	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.7820	0.000	1	109.0722	0.172	11	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1461	0.194	8	109.0722	0.172	11	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.5980	0.000	1	109.0722	0.172	11	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	110.1170	0.462	6	109.8950	0.322	8	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	109.2290	0.049	2	109.8950	0.322	8	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.3285	0.145	2	109.3285	0.021	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	108.5310	0.000	1	108.5310	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.5480	0.000	1	109.5480	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]C)	109.4548	0.258	5	109.4548	0.066	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.5977	0.412	4	109.5977	0.169	4	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.0804	0.314	16	109.1642	0.111	21	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.5120	0.219	4	109.1642	0.111	21	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	109.1140	0.000	1	109.1642	0.111	21	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.3888	0.534	5	109.8907	1.740	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	112.4000	0.000	1	109.8907	1.740	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.5450	0.000	1	109.5450	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.5120	0.000	1	108.5120	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	108.2590	0.000	1	108.2590	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	108.9940	0.000	1	108.9940	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	110.6660	0.000	1	110.6660	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	110.1540	0.144	2	110.1540	0.021	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.2580	0.000	1	109.2580	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.5820	0.000	1	109.5820	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<2>}	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	112.2400	0.000	1	112.2400	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	109.3335	1.865	2	107.9685	4.869	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.2310	0.185	2	107.9685	4.869	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Re<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Re<6>}	H(C[5]C[5]O[5]C)	105.5770	0.000	1	107.9685	4.869	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Ru<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ru<9>}	H(C[5]C[5]O[5]C)	105.1050	0.000	1	107.9685	4.869	6	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.4790	0.000	1	109.4977	0.009	3	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.6030	0.000	1	109.4977	0.009	3	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.4110	0.000	1	109.4977	0.009	3	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8860	0.000	1	108.8860	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.7360	0.000	1	109.7360	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	110.3020	0.000	1	110.3020	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.0099	0.450	9	109.0139	2.855	16	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	110.3049	1.847	7	109.0139	2.855	16	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	112.0360	0.000	1	108.2730	28.320	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	104.5100	0.000	1	108.2730	28.320	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|N<2>}	H(C[5]C[5]O[5]C)	109.5160	0.000	1	109.5160	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.8620	0.000	1	109.3465	0.531	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.8310	0.000	1	109.3465	0.531	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<2>,1|H<1>}	H(C[5]C[5]O[5]C)	109.7280	0.000	1	109.1900	0.126	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.0555	0.217	4	109.1900	0.126	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5710	0.000	1	109.7322	6.409	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5590	0.000	1	109.7322	6.409	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.8437	3.574	3	109.7322	6.409	5	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.4855	1.063	2	109.4855	1.130	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.0750	0.000	1	109.0750	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.6170	0.140	2	109.6170	0.020	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	109.7780	0.000	1	109.7780	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.3750	0.198	2	109.3750	0.039	2	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	108.9847	0.454	3	108.9847	0.206	3	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2{1|C<4>}	H(C[5]C[5]O[5]C)	109.6850	0.000	1	109.6850	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2{1|C<4>}	H(C[5]C[5]O[5]C)	109.3070	0.000	1	109.3070	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2{3|C<3>}	H(C[5]C[5]O[5]C)	109.1630	0.000	1	109.1630	0.000	1	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	109.4953	0.945	3	109.6167	0.654	4	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	109.9810	0.000	1	109.6167	0.654	4	109.1506	1.119	196	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	106.4730	0.000	1	106.4730	0.000	1	108.6437	3.568	3	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.5430	0.000	1	109.7290	0.069	2	108.6437	3.568	3	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.9150	0.000	1	109.7290	0.069	2	108.6437	3.568	3	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O){1|O<1>}	H(C[5]C[5]O[5]C)	109.7040	0.000	1	109.7040	0.000	1	109.6970	2.509	12	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.8260	0.000	1	109.8260	0.000	1	109.6970	2.509	12	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	110.3233	1.875	6	110.3233	3.514	6	109.6970	2.509	12	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	H(C[5]C[5]O[5]C)	109.6330	0.718	2	108.7235	1.289	4	109.6970	2.509	12	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	107.6670	0.000	1	108.7235	1.289	4	109.6970	2.509	12	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	107.9610	0.000	1	108.7235	1.289	4	109.6970	2.509	12	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H){1|B<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|B<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]C)	109.7500	0.010	2	109.7500	0.000	2	109.7500	0.000	2	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H)	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H){2|C<4>,2|O<2>}	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2{2|O<2>}	H(C[5]C[5]O[5]C)	109.6090	0.000	1	109.6090	0.000	1	108.8325	2.161	6	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H)	C[5](N[5]C[5]ZnC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]ZnC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	105.8450	0.000	1	105.8450	0.000	1	108.8325	2.161	6	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C[5](N[5]C[5]CuH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Cu<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CuH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5430	0.000	1	109.5430	0.000	1	108.8325	2.161	6	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C[5](N[5]C[5]NiH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Ni<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]NiH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.4480	0.000	1	109.4480	0.000	1	108.8325	2.161	6	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C[5](N[5]C[5]NiC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]NiC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.2750	0.051	2	109.2750	0.003	2	108.8325	2.161	6	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2	H(C[5]C[5]O[5]P)	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2{2|H<1>}	H(C[5]C[5]O[5]P)	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:S-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(SC[6a]OO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2	H(C[5]C[5]O[5]S)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(SC[6a]OO)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]S)	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-2:S-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(SC[6a]OO)(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]O[5]HS)(H)2	H(C[5]C[5]O[5]S)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(SC[6a]OO)(H){1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]O[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]S)	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2{2|H<1>}	H(C[5]C[5]S[5]C)	107.6560	0.000	1	107.6560	0.000	1	110.7005	18.538	2	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2{2|H<1>}	H(C[5]C[5]S[5]C)	113.7450	0.000	1	113.7450	0.000	1	110.7005	18.538	2	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	H(C[5]C[5]S[5]C)	110.3780	0.000	1	110.3780	0.000	1	109.0850	1.316	3	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H){2|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]C)	108.4385	0.351	2	108.4385	0.124	2	109.0850	1.316	3	109.1544	1.319	277	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|N<3>}	H(C[5]C[5]O[5]C)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5]-4:	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.3945	0.112	2	109.3945	0.013	2	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.5190	0.000	1	108.5190	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]C)	108.5220	0.000	1	108.5220	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.2538	0.406	10	109.2538	0.165	10	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]C)	110.0020	0.000	1	110.0020	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]C)	109.1490	0.000	1	109.1490	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.0275	0.419	2	109.1423	0.581	10	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1710	0.847	8	109.1423	0.581	10	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.4010	0.000	1	108.4010	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.3423	0.391	4	109.3423	0.153	4	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]C)	109.4705	0.779	2	109.4705	0.606	2	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	110.2090	0.000	1	110.2090	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8660	0.000	1	108.9593	0.115	3	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.0060	0.467	2	108.9593	0.115	3	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.9460	0.000	1	108.9460	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.4600	0.000	1	109.4600	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.0605	0.015	2	109.0605	0.000	2	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	110.4780	0.000	1	110.4780	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.9320	0.000	1	108.7513	0.637	7	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.7212	0.870	6	108.7513	0.637	7	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.6810	0.000	1	108.6810	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.2890	2.727	2	109.6891	1.480	10	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	109.8193	0.289	3	109.6891	1.480	10	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]O[5]C)	109.1680	0.000	1	109.6891	1.480	10	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.9218	1.272	4	109.6891	1.480	10	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.5000	0.000	1	109.5000	0.000	1	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1293	1.530	3	109.1293	2.342	3	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.9050	0.885	4	109.9050	0.783	4	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.9270	0.867	4	108.9270	0.751	4	109.2610	0.651	72	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.0400	0.482	2	109.0400	0.233	2	109.0400	0.233	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	108.4720	0.000	1	108.4720	0.000	1	108.6440	0.059	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]O[5]C)	108.8160	0.000	1	108.8160	0.000	1	108.6440	0.059	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]O[5]C)	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.8160	0.149	4	108.8160	0.022	4	108.8160	0.022	4	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.5780	0.000	1	109.5780	0.000	1	111.0305	4.220	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	112.4830	0.000	1	112.4830	0.000	1	111.0305	4.220	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.5460	0.109	2	109.5460	0.012	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	108.1360	0.000	1	108.1360	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	106.6230	0.000	1	106.6230	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.6840	0.000	1	109.6840	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.3690	0.000	1	109.3690	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.5040	0.000	1	109.5040	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.3295	0.282	2	109.3295	0.080	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.2810	0.000	1	108.2810	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.4140	0.315	2	108.4140	0.099	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	107.1780	0.000	1	107.1780	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8130	0.000	1	108.8130	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<2>,1|H<1>}	H(C[5]C[5]O[5]C)	108.5480	0.000	1	108.7706	0.419	7	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8077	0.701	6	108.7706	0.419	7	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.4250	0.000	1	108.4250	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.3370	0.000	1	108.3370	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.4960	0.000	1	110.4960	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.9630	0.109	2	109.9630	0.012	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.1650	0.000	1	109.1650	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.5540	0.351	3	109.5540	0.123	3	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.1020	0.000	1	110.3692	2.702	5	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.6860	1.713	4	110.3692	2.702	5	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.4070	0.088	2	109.4070	0.008	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.4815	0.074	2	109.4815	0.006	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8860	0.734	2	108.8860	0.539	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8320	0.000	1	108.8320	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<3>}	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.1130	0.000	1	109.1130	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	112.8060	0.000	1	112.8060	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.7810	0.000	1	108.7810	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1940	0.048	2	109.1940	0.002	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.6080	0.345	2	109.5077	0.090	3	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.3070	0.000	1	109.5077	0.090	3	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.9400	0.000	1	108.9400	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	H(C[5]C[5]O[5]C)	109.6650	1.336	2	109.6650	1.786	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){2|H<1>}	H(C[5]C[5]O[5]C)	108.3000	0.000	1	108.3000	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.2447	0.805	7	109.1984	1.124	10	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.0903	1.758	3	109.1984	1.124	10	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	108.7030	0.000	1	108.7030	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.7940	0.151	2	109.7940	0.023	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.5130	0.000	1	108.5130	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.1790	0.000	1	109.2773	0.319	4	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.0410	0.000	1	109.2773	0.319	4	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.2120	0.000	1	109.2773	0.319	4	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.6770	0.000	1	109.2773	0.319	4	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.3700	0.000	1	109.5627	1.081	3	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.1590	0.171	2	109.5627	1.081	3	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.0820	0.000	1	109.0820	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.2825	0.487	2	109.2825	0.237	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.9687	0.294	3	108.9080	0.978	5	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.8170	1.926	2	108.9080	0.978	5	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.4320	0.000	1	108.4320	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.9270	0.000	1	109.9270	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.4271	0.433	9	109.4271	0.188	9	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.9934	0.651	19	108.9908	0.401	20	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.9430	0.000	1	108.9908	0.401	20	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.1484	1.171	12	109.0331	0.745	133	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	110.0202	1.146	6	109.0331	0.745	133	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.9734	0.787	114	109.0331	0.745	133	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.5300	0.000	1	109.0331	0.745	133	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.1450	0.000	1	108.9845	0.052	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.8240	0.000	1	108.9845	0.052	2	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.9161	0.442	8	108.9161	0.196	8	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.4220	0.000	1	109.4220	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	111.4400	0.000	1	109.0448	0.831	24	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.0725	0.011	2	109.0448	0.831	24	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	110.1665	1.778	2	109.0448	0.831	24	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.7616	0.599	17	109.0448	0.831	24	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1045	0.757	2	109.0448	0.831	24	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	H(C[5]C[5]O[5]C)	109.9870	0.000	1	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	H(C[5]C[5]O[5]C)	109.2230	0.000	1	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.4630	1.227	27	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	108.6098	0.525	8	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.5570	0.000	1	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.3364	1.957	53	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	H(C[5]C[5]O[5]C)	108.9665	0.230	2	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.6133	0.931	7	109.3220	2.545	100	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.5010	0.000	1	109.5010	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	H(C[5]C[5]O[5]C)	108.7395	1.832	2	108.6797	0.918	6	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.6497	0.639	4	108.6797	0.918	6	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.7000	0.000	1	109.7000	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H){2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	108.9940	0.000	1	108.9940	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1370	0.000	1	109.1370	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.6730	0.000	1	109.6730	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.5060	0.000	1	108.5060	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.2840	0.000	1	108.2840	0.000	1	109.1495	1.205	395	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H){1|B<4>,1|H<1>,2|N<3>,2|O<2>}	H(C[5]C[5]O[5]C)	108.6480	0.000	1	108.6480	0.000	1	109.6626	0.730	10	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	110.2935	0.179	2	110.2935	0.032	2	109.6626	0.730	10	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.2213	0.833	3	109.2213	0.695	3	109.6626	0.730	10	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	108.9410	0.000	1	108.9410	0.000	1	109.6626	0.730	10	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.3920	0.000	1	109.3920	0.000	1	109.6626	0.730	10	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	110.6970	0.052	2	110.6970	0.003	2	109.6626	0.730	10	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	107.8420	0.000	1	107.8420	0.000	1	108.1510	0.191	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.4600	0.000	1	108.4600	0.000	1	108.1510	0.191	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:Se-2:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){4|C<4>,4|H<1>}	H(C[5]C[5]O[5]C)	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.4900	0.000	1	109.4900	0.000	1	109.0790	0.338	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	H(C[5]C[5]O[5]C)	108.6680	0.000	1	108.6680	0.000	1	109.0790	0.338	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]S[5]C)	110.2340	0.000	1	110.2340	0.000	1	109.2985	1.750	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]S[5]C)	108.3630	0.000	1	108.3630	0.000	1	109.2985	1.750	2	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H){1|O<1>,3|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	H(C[5]Se[5]C[5]C)	109.6450	0.000	1	109.6450	0.000	1	109.0169	0.203	28	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	H(C[5]Se[5]C[5]C)	109.3990	0.110	3	109.3990	0.012	3	109.0169	0.203	28	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]Se[5]C[5]C)	108.7320	0.000	1	108.7320	0.000	1	109.0169	0.203	28	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]Se[5]C[5]C)	108.9015	0.388	22	108.9521	0.203	23	109.0169	0.203	28	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:1:	4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]Se[5]C[5]C)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	H(C[5]Se[5]C[5]C)	110.0640	0.000	1	108.9521	0.203	23	109.0169	0.203	28	109.1690	1.063	527	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:2:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	H(C[5]C[5]S[5]C)	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:2:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.3305	0.600	2	109.3305	0.360	2	109.3305	0.360	2	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	107.2640	0.092	2	107.2640	0.008	2	107.6520	0.456	3	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H){1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	108.4280	0.000	1	108.4280	0.000	1	107.6520	0.456	3	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]O[5]C)	109.2640	0.000	1	109.2640	0.000	1	109.2545	0.000	2	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	109.2450	0.000	1	109.2450	0.000	1	109.2545	0.000	2	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<1>,1|O<1>}	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.6650	0.000	1	109.0873	0.131	11	109.0758	0.121	12	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.1295	0.352	10	109.0873	0.131	11	109.0758	0.121	12	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.9490	0.000	1	108.9490	0.000	1	109.0758	0.121	12	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	108.6770	0.000	1	108.6770	0.000	1	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H){2|C<3>}	H(C[5]C[5]O[5]C)	108.9720	0.151	2	108.9720	0.023	2	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]C)	109.2110	0.000	1	109.2110	0.000	1	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.4070	0.000	1	109.4070	0.000	1	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H){2|H<1>}	H(C[5]C[5]O[5]C)	109.9630	0.000	1	109.9630	0.000	1	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H){1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	110.3380	0.000	1	110.3380	0.000	1	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	108.7050	0.000	1	108.7050	0.000	1	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.7560	0.000	1	108.7560	0.000	1	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>}	H(C[5]C[5]O[5]C)	109.2410	0.404	2	109.2410	0.164	2	109.2257	0.292	11	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	108.9425	0.397	2	109.1230	0.176	3	109.4362	1.813	9	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){2|H<1>}	H(C[5]C[5]O[5]C)	109.4840	0.000	1	109.1230	0.176	3	109.4362	1.813	9	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.1550	0.000	1	109.1550	0.000	1	109.4362	1.813	9	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.8390	0.000	1	109.8390	0.000	1	109.4362	1.813	9	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	112.7270	0.000	1	112.7270	0.000	1	109.4362	1.813	9	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.2490	0.000	1	109.2490	0.000	1	109.4362	1.813	9	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	108.2935	0.370	2	108.2935	0.137	2	109.4362	1.813	9	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,1|O<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](N[5]C[5]CuC)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Cu<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]CuC)(C[5]O[5]CH)(COO)(H){2|H<1>}	H(C[5]C[5]O[5]C)	109.4605	0.333	2	109.4605	0.111	2	109.4847	0.057	3	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](N[5]C[5]RuH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,3|H<1>}	C[5](N[5]C[5]RuH)(C[5]O[5]CH)(COO)(H){2|H<1>}	H(C[5]C[5]O[5]C)	109.5330	0.000	1	109.5330	0.000	1	109.4847	0.057	3	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H){1|C<3>,1|H<1>}	H(C[5]C[5]S[5]C)	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H){2|H<1>}	H(C[5]C[5]S[5]C)	110.1420	0.000	1	110.1420	0.000	1	109.3667	0.451	3	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:1:	4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H){2|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	H(C[5]C[5]S[5]C)	108.9790	0.000	2	108.9790	0.000	2	109.3667	0.451	3	109.1420	0.591	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.4290	0.221	2	109.4290	0.049	2	109.4290	0.049	2	109.4290	0.049	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:3:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(NCH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(NCH){2|H<1>}	H(C[5]C[5]O[5]C)	107.3490	0.000	1	107.3490	0.000	1	108.2355	1.572	2	108.2355	1.572	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:3:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CCO)(NCH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CCO)(NCH){1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1220	0.000	1	109.1220	0.000	1	108.2355	1.572	2	108.2355	1.572	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:3:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	H(C[5]C[5]O[5]C)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5]O[5]C)	107.7725	0.100	2	107.7725	0.010	2	107.7725	0.010	2	107.7725	0.010	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:B-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H)	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H)	H(C[5]C[5]O[5]B)	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H){1|C<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H){1|C<3>}	H(C[5]C[5]O[5]B)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	109.1410	0.000	1	109.1410	0.000	1	108.8148	0.049	5	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	108.7817	0.129	3	108.7817	0.017	3	108.8148	0.049	5	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H){1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	108.5880	0.000	1	108.5880	0.000	1	108.8148	0.049	5	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	110.0470	0.000	1	110.0470	0.000	1	109.6873	0.790	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.6750	0.000	1	108.6750	0.000	1	109.6873	0.790	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	110.3400	0.000	1	110.3400	0.000	1	109.6873	0.790	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]O[5]C)	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	110.5360	0.000	1	110.5360	0.000	1	108.3800	3.703	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	107.7680	0.000	1	107.7680	0.000	1	108.3800	3.703	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	106.8360	0.000	1	106.8360	0.000	1	108.3800	3.703	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H){2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|O<2>}	H(C[5]C[5]O[5]C)	109.1070	0.000	1	109.1070	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.3340	0.000	1	109.3340	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.5450	0.000	1	108.5450	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.8000	0.000	1	108.5695	0.106	2	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.3390	0.000	1	108.5695	0.106	2	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.4900	0.000	1	109.4900	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.7590	0.000	1	109.7590	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	107.5630	2.067	7	107.5630	4.271	7	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	108.9750	0.000	1	108.9750	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	107.8690	0.000	1	107.8690	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|H<1>,1|S<4>}	H(C[5]C[5]O[5]C)	108.9610	0.000	1	108.9610	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	118.6580	0.000	1	118.6580	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.3370	0.000	1	109.3370	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.5825	0.214	2	109.5825	0.046	2	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	107.9680	0.000	1	107.9680	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.2470	0.000	1	108.2470	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.0760	0.000	1	109.0760	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.4420	0.000	1	108.4420	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>}	H(C[5]C[5]O[5]C)	109.7750	0.000	1	109.7750	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.1030	0.000	1	109.1030	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.3510	0.000	1	109.3510	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	108.7250	0.669	2	108.7745	0.641	4	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.8240	1.211	2	108.7745	0.641	4	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H){1|H<1>}	H(C[5]C[5]O[5]C)	108.9780	0.030	2	108.9780	0.001	2	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	H(C[5]C[5]O[5]C)	108.4400	0.000	1	108.4400	0.000	1	108.9353	4.179	35	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]C)	110.1750	0.000	1	109.6605	0.529	2	107.9597	8.943	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	109.1460	0.000	1	109.6605	0.529	2	107.9597	8.943	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5]C[5]O[5]C)	104.5580	0.000	1	104.5580	0.000	1	107.9597	8.943	3	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.1155	0.329	2	109.1155	0.108	2	109.1155	0.108	2	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H){2|C<3>}	H(C[5]C[5]O[5]C)	109.7505	0.275	2	109.7505	0.076	2	109.7505	0.076	2	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]C)	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	108.9306	3.159	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]C)	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	108.6390	0.743	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC){1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.0850	0.410	2	109.0850	0.168	2	108.6790	0.916	5	108.6390	0.743	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(C[5]C[5]O[5]C)	107.0980	0.000	1	107.0980	0.000	1	108.6790	0.916	5	108.6390	0.743	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){2|C<4>}	H(C[5]C[5]O[5]C)	108.6320	0.000	1	108.6320	0.000	1	108.6790	0.916	5	108.6390	0.743	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:2:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(C[5]C[5]O[5]C)	109.4950	0.000	1	109.4950	0.000	1	108.6790	0.916	5	108.6390	0.743	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:3:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]C)	105.1360	0.000	1	105.1360	0.000	1	107.8924	2.282	7	107.9946	2.039	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{1|O<1>}	H(C[5]C[5]O[5]C)	108.4780	0.000	1	108.4780	0.000	1	107.8924	2.282	7	107.9946	2.039	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3){1|O<1>}	H(C[5]C[5]O[5]C)	106.7080	0.000	1	106.7080	0.000	1	107.8924	2.282	7	107.9946	2.039	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3){1|O<1>}	H(C[5]C[5]O[5]C)	108.8340	0.000	1	108.8340	0.000	1	107.8924	2.282	7	107.9946	2.039	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{2|C<4>}	H(C[5]C[5]O[5]C)	108.2040	0.243	2	108.2040	0.059	2	107.8924	2.282	7	107.9946	2.039	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3){1|H<1>,1|N<3>}	H(C[5]C[5]O[5]C)	109.6830	0.000	1	109.6830	0.000	1	107.8924	2.282	7	107.9946	2.039	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]C)	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	107.9946	2.039	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:2:5:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-5:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]C)	108.9655	0.497	2	108.9655	0.247	2	108.9655	0.247	2	108.9655	0.247	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH){4|H<1>,7|C<3>}	H(C[5]C[5]2H)	111.1415	0.052	2	111.1415	0.003	2	111.1415	0.003	2	111.0843	0.010	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2{1|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH){5|H<1>,7|C<3>}	H(C[5]C[5]N[5]H)	111.0558	0.111	4	111.0558	0.012	4	111.0558	0.012	4	111.0843	0.010	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5]2H)	110.4613	0.057	4	110.4613	0.003	4	110.4284	0.007	7	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	H(C[5]C[5]2H)	110.5040	0.000	1	110.3847	0.011	3	110.4284	0.007	7	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.3250	0.016	2	110.3847	0.011	3	110.4284	0.007	7	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.2765	0.016	2	111.2765	0.000	2	111.2502	0.002	8	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.2940	0.038	2	111.2940	0.001	2	111.2502	0.002	8	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2{1|O<2>,2|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2152	0.043	4	111.2152	0.002	4	111.2502	0.002	8	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H){7|C<3>}	H(C[5]C[5]2H)	111.3955	0.021	2	111.3955	0.000	2	111.3690	0.002	3	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.3160	0.000	1	111.3160	0.000	1	111.3690	0.002	3	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.4675	1.591	4	111.3505	1.552	6	111.5109	1.025	19	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1165	0.022	2	111.3505	1.552	6	111.5109	1.025	19	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	112.0591	1.045	7	111.5850	0.873	13	111.5109	1.025	19	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.2355	0.065	4	111.5850	0.873	13	111.5109	1.025	19	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.6245	0.011	2	111.5850	0.873	13	111.5109	1.025	19	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2{4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.2005	0.025	2	110.2005	0.001	2	110.2005	0.001	2	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,3|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	112.8777	1.955	6	112.6850	3.409	10	112.6850	3.409	10	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7495	0.037	2	112.6850	3.409	10	112.6850	3.409	10	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	114.0425	0.414	2	112.6850	3.409	10	112.6850	3.409	10	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|N<2>}	H(C[5]C[5]2H)	111.1493	0.083	6	111.1493	0.007	6	111.2107	0.010	10	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	H(C[5]C[5]2H)	111.3028	0.019	4	111.3028	0.000	4	111.2107	0.010	10	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.8430	0.010	2	110.8430	0.000	2	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.3110	0.040	2	111.3110	0.002	2	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2{1|O<2>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.3725	0.005	2	110.3725	0.000	2	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1487	0.099	3	111.1964	0.009	5	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,4|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2680	0.006	2	111.1964	0.009	5	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1550	0.000	1	111.1550	0.000	1	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1073	0.119	25	111.1073	0.014	25	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.3565	0.006	2	111.3454	0.435	74	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.3652	0.022	6	111.3454	0.435	74	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	113.0130	2.290	2	111.3454	0.435	74	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	H(C[5]C[5]2H)	110.9940	0.378	5	111.3454	0.435	74	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.3163	0.583	59	111.3454	0.435	74	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	H(C[5]C[5]2H)	111.2690	0.006	2	111.2307	0.004	6	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2115	0.069	4	111.2307	0.004	6	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{3|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.4340	0.008	2	111.4340	0.000	2	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.0334	0.079	13	111.0334	0.006	13	111.2358	0.275	132	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.0345	0.008	2	110.0345	0.000	2	110.0345	0.000	2	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6630	0.196	6	110.6630	0.038	6	110.6630	0.038	6	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.4965	0.054	2	110.4965	0.003	2	110.5203	0.002	4	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.5440	0.020	2	110.5440	0.000	2	110.5203	0.002	4	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1547	0.157	3	111.1547	0.025	3	111.1547	0.025	3	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<2>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7715	0.021	2	110.5684	0.022	7	110.5684	0.022	7	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.4872	0.069	5	110.5684	0.022	7	110.5684	0.022	7	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.0775	0.039	2	111.0775	0.002	2	111.0775	0.002	2	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0375	0.025	2	111.0375	0.001	2	110.9869	0.014	14	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.8180	0.023	2	110.8180	0.001	2	110.9869	0.014	14	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0106	0.113	10	111.0106	0.013	10	110.9869	0.014	14	111.2110	0.551	230	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.8335	0.040	2	110.8335	0.002	2	110.8352	0.007	5	110.8959	0.182	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8363	0.114	3	110.8363	0.013	3	110.8352	0.007	5	110.8959	0.182	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){5|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.3175	0.018	2	111.3175	0.000	2	111.3175	0.000	2	110.8959	0.182	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.1075	0.037	2	111.1075	0.001	2	111.1075	0.001	2	110.8959	0.182	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.0680	0.290	2	110.0680	0.084	2	110.0680	0.084	2	110.8959	0.182	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5])	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2{1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5]){1|N<3>,1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2425	0.029	2	111.2425	0.001	2	111.2425	0.001	2	110.8959	0.182	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	110.7288	0.018	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2{1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.6424	0.117	5	110.6424	0.014	5	110.6424	0.014	5	110.7288	0.018	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7700	0.017	2	110.7700	0.000	2	110.7700	0.000	2	110.7288	0.018	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9120	0.014	2	110.9120	0.000	2	110.9120	0.000	2	110.7288	0.018	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.2845	0.035	2	111.2845	0.001	2	111.2845	0.001	2	110.8917	0.061	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9110	0.107	4	110.7717	0.054	6	110.8131	0.033	10	110.8917	0.061	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.4930	0.014	2	110.7717	0.054	6	110.8131	0.033	10	110.8917	0.061	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.8752	0.028	4	110.8752	0.001	4	110.8131	0.033	10	110.8917	0.061	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>}	H(C[5]C[5]2Br)	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2Cl)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8050	0.055	4	110.8050	0.003	4	110.8050	0.003	4	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.1650	0.008	2	110.1650	0.000	2	110.7950	1.380	7	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	110.0797	0.031	3	110.0797	0.001	3	110.7950	1.380	7	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2{2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	112.4980	0.385	2	112.4980	0.148	2	110.7950	1.380	7	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]2H)	110.8660	0.004	2	110.8660	0.000	2	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6005	0.018	2	110.6005	0.000	2	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.6443	0.048	6	110.6443	0.002	6	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.6192	0.019	6	110.5976	0.002	8	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5330	0.034	2	110.5976	0.002	8	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	112.3178	2.911	6	111.6396	5.474	10	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6222	0.058	4	111.6396	5.474	10	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8635	0.012	2	110.7568	0.010	5	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.6857	0.042	3	110.7568	0.010	5	110.9624	1.753	33	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]2H)	110.5000	0.018	3	110.5199	0.004	8	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5318	0.082	5	110.5199	0.004	8	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.5749	0.055	8	110.4859	0.038	10	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]2H)	110.1300	0.066	2	110.4859	0.038	10	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.4615	0.022	2	110.4615	0.000	2	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.4489	0.065	10	110.4489	0.004	10	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.4885	0.040	2	110.7519	0.771	45	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8311	0.984	35	110.7519	0.771	45	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.4385	0.006	2	110.7519	0.771	45	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.5205	0.016	2	110.7519	0.771	45	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.4630	0.039	4	110.7519	0.771	45	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.3930	0.006	2	110.3930	0.000	2	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|S<1>,2|C<3>}	H(C[5]C[5]2H)	110.3758	0.036	4	110.3758	0.001	4	110.6241	0.451	81	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	110.5790	0.027	2	110.5790	0.001	2	110.7087	0.012	6	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8015	0.054	2	110.8015	0.003	2	110.7087	0.012	6	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.7455	0.033	2	110.7455	0.001	2	110.7087	0.012	6	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9783	0.363	8	110.9783	0.132	8	110.9837	0.050	50	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9873	0.109	9	110.9847	0.037	42	110.9837	0.050	50	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.1310	0.000	1	110.9847	0.037	42	110.9837	0.050	50	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.7175	0.019	2	110.9847	0.037	42	110.9837	0.050	50	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.9862	0.221	24	110.9847	0.037	42	110.9837	0.050	50	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9497	0.035	4	110.9847	0.037	42	110.9837	0.050	50	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	111.2185	0.040	2	110.9847	0.037	42	110.9837	0.050	50	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.5805	0.016	2	110.4808	0.014	4	110.4504	0.007	10	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	110.3810	0.045	2	110.4808	0.014	4	110.4504	0.007	10	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.4563	0.046	4	110.4302	0.003	6	110.4504	0.007	10	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.3780	0.027	2	110.4302	0.003	6	110.4504	0.007	10	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.0577	0.105	3	111.0577	0.011	3	111.5679	0.928	9	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.8230	1.117	6	111.8230	1.247	6	111.5679	0.928	9	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.7297	0.044	4	110.7297	0.002	4	110.7297	0.002	4	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	112.8205	0.511	2	112.8205	0.261	2	111.8295	2.834	22	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2{1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	112.1016	2.182	12	112.1016	4.761	12	111.8295	2.834	22	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0200	0.018	2	111.1408	0.111	6	111.8295	2.834	22	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.5565	0.025	2	111.1408	0.111	6	111.8295	2.834	22	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8460	0.061	2	111.1408	0.111	6	111.8295	2.834	22	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.2720	0.010	2	111.2720	0.000	2	111.8295	2.834	22	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<4>}	H(C[5]C[5]N[5]H)	110.6950	0.113	5	110.6441	0.016	7	110.6441	0.016	7	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<4>}	H(C[5]C[5]N[5]H)	110.5170	0.006	2	110.6441	0.016	7	110.6441	0.016	7	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7075	0.012	2	110.6738	1.756	11	110.6523	1.261	15	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.9848	1.954	5	110.6738	1.756	11	110.6523	1.261	15	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	110.2682	0.616	4	110.6738	1.756	11	110.6523	1.261	15	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	H(C[5]C[5]N[5]H)	110.4540	0.058	2	110.5930	0.027	4	110.6523	1.261	15	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,1|S<4>}	H(C[5]C[5]N[5]H)	110.7320	0.041	2	110.5930	0.027	4	110.6523	1.261	15	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1135	0.217	2	110.9240	0.329	112	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8392	0.500	57	110.9240	0.329	112	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1119	0.726	18	110.9240	0.329	112	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7861	0.177	31	110.9240	0.329	112	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	112.2602	1.114	4	110.9240	0.329	112	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0922	0.195	5	112.6243	4.348	11	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	113.9010	2.088	6	112.6243	4.348	11	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,2|C<3>}	H(C[5]C[5]N[5]H)	114.2225	5.657	4	114.2225	31.996	4	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.6355	0.013	2	110.7102	0.022	21	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8014	0.132	12	110.7102	0.022	21	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5751	0.055	7	110.7102	0.022	21	111.1092	1.685	148	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	111.3320	0.016	2	111.3320	0.000	2	111.3320	0.000	2	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	111.8007	0.540	4	111.8007	0.291	4	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]N[5]H)	110.9458	0.083	4	111.5899	0.542	21	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>}	H(C[5]C[5]N[5]H)	113.1520	1.690	2	111.5899	0.542	21	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|S<1>,1|S<2>}	H(C[5]C[5]N[5]H)	111.9485	0.386	4	111.5899	0.542	21	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3839	0.088	7	111.5899	0.542	21	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	111.5475	0.064	2	111.5899	0.542	21	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.3620	0.006	2	111.5899	0.542	21	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	111.9940	1.667	4	111.9940	2.780	4	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0660	0.000	1	111.0996	0.016	10	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1419	0.123	7	111.0996	0.016	10	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9685	0.015	2	111.0996	0.016	10	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2{1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0807	0.154	8	110.9913	0.044	12	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2{1|C<4>,1|N<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8125	0.204	4	110.9913	0.044	12	111.4011	0.528	51	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8725	0.068	4	110.8725	0.005	4	110.8512	1.018	8	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2{2|N<2>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	110.8350	0.013	2	110.8350	0.000	2	110.8512	1.018	8	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2{2|N<2>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{3|N<2>}	H(C[5]C[5]N[5]H)	110.8250	2.666	2	110.8250	7.106	2	110.8512	1.018	8	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5965	0.015	2	110.8715	0.102	4	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1465	0.046	2	110.8715	0.102	4	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7632	0.089	4	110.9558	0.033	12	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9225	0.005	2	110.9558	0.033	12	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0005	0.018	2	110.9558	0.033	12	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	H(C[5]C[5]N[5]H)	111.2525	0.035	2	110.9558	0.033	12	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	111.0325	0.026	2	110.9558	0.033	12	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9193	0.152	4	111.6715	1.560	16	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0080	0.100	4	111.6715	1.560	16	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<1>}	H(C[5]C[5]N[5]H)	112.3115	1.481	4	111.6715	1.560	16	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	113.9150	0.182	2	111.6715	1.560	16	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9795	0.050	2	111.6715	1.560	16	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]Fe)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]Fe)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7058	0.060	6	110.7058	0.004	6	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1665	0.020	4	111.1665	0.000	4	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	115.9835	4.878	2	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3125	0.089	4	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2425	0.134	4	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.2965	0.035	2	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|S<1>,1|S<2>}	H(C[5]C[5]N[5]H)	110.5735	0.064	4	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5]N[5]H)	110.2930	0.052	2	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.8395	5.049	2	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8280	0.000	1	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	113.9540	1.488	2	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9960	0.035	6	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	111.1015	0.029	2	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2495	0.016	2	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0676	0.053	8	111.4462	2.868	41	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4815	0.036	2	110.4815	0.001	2	111.3042	1.757	85	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.6960	0.020	2	110.6960	0.000	2	111.5339	2.961	8	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]Cu)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]Cu)(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Cu<5>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.2220	0.033	2	110.2220	0.001	2	111.5339	2.961	8	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	114.0325	1.774	2	112.6088	3.752	4	111.5339	2.961	8	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1850	0.013	2	112.6088	3.752	4	111.5339	2.961	8	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1395	0.112	4	111.1395	0.012	4	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>}	H(C[5]C[5]N[5]H)	113.1065	1.272	2	113.1065	1.618	2	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|B<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2790	0.000	1	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0685	0.082	4	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1636	0.114	5	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0940	0.006	2	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2490	0.030	2	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2777	0.068	6	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|U<8>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|U<8>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2327	0.094	3	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ga<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.4502	0.063	6	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0920	0.037	2	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3526	0.176	7	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2094	0.169	11	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<6>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3330	0.000	1	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2605	0.046	2	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2423	0.112	3	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9132	0.670	10	111.1968	0.098	65	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1905	0.009	2	111.3468	0.017	18	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<2>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3651	0.133	14	111.3468	0.017	18	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3745	0.037	2	111.3468	0.017	18	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.5245	0.072	4	111.4558	0.027	5	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1810	0.000	1	111.4558	0.027	5	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8003	0.118	7	110.8003	0.014	7	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.0600	0.000	1	111.0600	0.000	1	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|O<1>,2|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.9170	0.016	2	109.9170	0.000	2	111.2171	0.202	104	111.0904	1.100	656	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3787	0.072	4	110.3787	0.005	4	110.4754	0.028	7	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5015	0.006	2	110.5015	0.000	2	110.4754	0.028	7	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8100	0.000	1	110.8100	0.000	1	110.4754	0.028	7	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	112.1810	0.262	2	112.1810	0.068	2	112.1810	0.068	2	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	111.7265	0.022	2	111.7265	0.000	2	111.7265	0.000	2	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.1690	1.602	2	111.2552	0.583	6	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0140	0.014	2	111.2552	0.583	6	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.5825	0.039	2	111.2552	0.583	6	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3950	0.049	2	111.3950	0.002	2	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.4520	0.000	1	111.4520	0.000	1	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.6603	0.075	9	111.6603	0.006	9	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.7200	0.000	1	111.7200	0.000	1	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2785	1.200	2	111.5757	0.598	4	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.8730	0.027	2	111.5757	0.598	4	111.5104	0.247	23	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.0090	0.089	6	110.0090	0.008	6	110.0090	0.008	6	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H){3|C<3>}	H(C[5]C[5]2H)	110.5438	4.650	4	110.5438	21.624	4	110.5438	21.624	4	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8375	0.022	2	110.8375	0.000	2	111.5682	5.254	6	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.9335	2.867	4	111.9335	8.222	4	111.5682	5.254	6	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.6140	0.034	2	110.6140	0.001	2	110.6140	0.001	2	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.7010	0.000	1	111.2400	0.160	3	111.2400	0.160	3	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0095	0.037	2	111.2400	0.160	3	111.2400	0.160	3	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2815	0.042	2	111.0263	0.043	6	111.0601	0.030	12	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8988	0.080	4	111.0263	0.043	6	111.0601	0.030	12	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Re<6>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9220	0.004	2	110.9220	0.000	2	111.0601	0.030	12	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2425	0.030	2	111.1797	0.006	4	111.0601	0.030	12	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1170	0.011	2	111.1797	0.006	4	111.0601	0.030	12	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2171	0.123	7	110.2171	0.015	7	110.4391	0.055	18	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2{1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6695	0.359	2	110.6695	0.129	2	110.4391	0.055	18	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5272	0.122	6	110.5321	0.011	8	110.4391	0.055	18	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	110.5470	0.038	2	110.5321	0.011	8	110.4391	0.055	18	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2{1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7870	0.000	1	110.7870	0.000	1	110.4391	0.055	18	110.9776	1.488	85	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2{1|O<2>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.5515	0.008	2	111.5515	0.000	2	111.5515	0.000	2	111.4005	0.031	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2{4|C<3>}	H(C[5]C[5]N[5]H)	111.2495	0.022	2	111.2495	0.000	2	111.2495	0.000	2	111.4005	0.031	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2655	0.039	2	111.2655	0.002	2	111.1770	0.116	5	111.0854	0.191	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.8490	0.028	2	110.8490	0.001	2	111.1770	0.116	5	111.0854	0.191	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]N[5]C)(H)2{2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.6560	0.000	1	111.6560	0.000	1	111.1770	0.116	5	111.0854	0.191	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4635	0.033	2	111.4635	0.001	2	110.9710	0.324	4	111.0854	0.191	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4785	0.006	2	110.4785	0.000	2	110.9710	0.324	4	111.0854	0.191	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5323	0.151	4	110.5323	0.023	4	110.5323	0.023	4	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5080	0.014	2	110.5080	0.000	2	110.5080	0.000	2	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]2H)	110.5375	0.022	2	110.5375	0.000	2	110.5973	0.005	4	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.6570	0.007	2	110.6570	0.000	2	110.5973	0.005	4	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.3200	0.000	1	112.2800	0.967	3	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{2|O<2>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	112.7600	0.742	2	112.2800	0.967	3	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	111.0985	0.022	2	111.0985	0.000	2	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	111.1120	0.107	4	111.1532	0.011	6	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	H(C[5]C[5]2H)	111.2355	0.008	2	111.1532	0.011	6	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	111.5960	0.023	2	111.5960	0.001	2	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1740	0.093	4	111.1740	0.009	4	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,3|C<3>}	H(C[5]C[5]2H)	111.2470	0.030	2	111.2470	0.001	2	111.3862	0.289	19	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5998	0.053	4	110.5650	0.018	14	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4600	0.034	2	110.5650	0.018	14	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6130	0.103	4	110.5650	0.018	14	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3430	0.017	2	110.5650	0.018	14	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7265	0.040	2	110.5650	0.018	14	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4860	0.014	2	110.4860	0.000	2	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|S<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6560	0.005	4	110.6560	0.000	4	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	112.5275	1.675	2	112.5275	2.806	2	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5885	0.009	2	110.5885	0.000	2	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.7067	0.141	4	111.4370	1.748	22	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.6340	0.017	2	111.4370	1.748	22	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	112.4257	1.426	10	111.4370	1.748	22	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.5775	0.029	2	111.4370	1.748	22	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5265	0.339	4	111.4370	1.748	22	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1220	0.006	2	111.1220	0.000	2	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.1120	0.659	2	110.1120	0.434	2	111.0364	1.114	50	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9960	0.013	4	110.9960	0.000	4	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2975	0.019	2	111.2975	0.000	2	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2{1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0445	0.035	2	111.0445	0.001	2	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	111.6205	0.049	2	111.4123	0.035	8	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.3605	0.199	4	111.4123	0.035	8	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|S<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.3075	0.023	2	111.4123	0.035	8	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2{1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.1620	0.062	2	111.1620	0.004	2	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){5|C<3>}	H(C[5]C[5]2H)	111.1025	0.088	13	111.1025	0.008	13	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.1811	0.074	13	111.1811	0.005	13	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.5187	0.043	3	111.5187	0.002	3	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.5745	0.037	2	111.3025	0.094	110	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.4686	0.195	7	111.3025	0.094	110	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.4525	0.047	4	111.3025	0.094	110	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|Cl<1>,3|C<3>}	H(C[5]C[5]2H)	111.0980	0.000	1	111.3025	0.094	110	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2806	0.316	96	111.3025	0.094	110	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.4862	0.210	5	111.4862	0.044	5	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2560	0.006	2	111.2560	0.000	2	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	111.2030	0.020	2	112.1427	3.570	17	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1636	0.186	5	112.1427	3.570	17	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	115.2620	2.420	2	112.1427	3.570	17	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	111.3340	0.008	2	112.1427	3.570	17	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	112.5017	2.146	6	112.1427	3.570	17	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2500	0.017	2	111.2500	0.000	2	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3850	0.000	1	111.0277	0.096	3	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8490	0.021	2	111.0277	0.096	3	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0815	0.013	2	111.0815	0.000	2	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2{1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.8840	0.032	3	111.8840	0.001	3	111.3590	0.434	191	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7435	0.346	2	110.7435	0.120	2	111.0258	0.097	5	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2{2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H){4|C<3>}	H(C[5]C[5]2H)	111.1935	0.008	2	111.1935	0.000	2	111.0258	0.097	5	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2{2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H){1|S<4>,3|C<3>}	H(C[5]C[5]2H)	111.2550	0.000	1	111.2550	0.000	1	111.0258	0.097	5	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]Br)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]Br)(H)2{1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|Br<1>,1|C<3>,1|N<2>}	H(C[5]C[5]2H)	111.7037	0.049	4	111.7037	0.002	4	111.7764	0.975	11	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H){3|C<3>}	H(C[5]C[5]2H)	112.1510	1.393	5	112.1510	1.940	5	111.7764	0.975	11	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.9850	0.057	2	110.9850	0.003	2	111.7764	0.975	11	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7095	0.018	2	110.6680	0.003	6	110.6680	0.003	6	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6472	0.061	4	110.6680	0.003	6	110.6680	0.003	6	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8900	0.057	2	110.8900	0.003	2	110.8900	0.003	2	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	112.2925	0.784	2	112.2925	0.615	2	112.2925	0.615	2	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9110	0.008	2	110.9110	0.000	2	110.7811	0.015	7	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6765	0.012	2	110.7548	0.009	4	110.7811	0.015	7	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8330	0.047	2	110.7548	0.009	4	110.7811	0.015	7	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6270	0.000	1	110.6270	0.000	1	110.7811	0.015	7	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.7262	0.251	4	111.5178	0.115	8	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3093	0.299	4	111.5178	0.115	8	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.2910	0.017	2	110.2910	0.000	2	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9666	0.315	7	110.9666	0.099	7	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3975	0.006	2	111.3975	0.000	2	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3270	0.037	4	111.3270	0.001	4	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pd<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.4160	0.024	2	111.4160	0.001	2	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pt<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0005	0.023	2	111.0005	0.001	2	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]H)	110.8275	0.012	2	110.8275	0.000	2	111.1752	0.172	29	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a]O)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a]O)(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){2|C<3>,2|O<1>}	H(C[5]C[5]S[5]H)	110.6190	0.948	2	110.6190	0.898	2	110.6190	0.898	2	111.2548	0.538	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{1|C<3>,1|O<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	109.8445	2.098	2	109.8445	4.402	2	109.8445	4.402	2	110.8495	0.434	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7155	0.006	2	110.7155	0.000	2	110.7155	0.000	2	110.8495	0.434	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0710	0.030	5	111.0710	0.001	5	111.0247	0.008	13	110.8495	0.434	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9270	0.038	5	110.9958	0.010	8	111.0247	0.008	13	110.8495	0.434	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.1103	0.040	3	110.9958	0.010	8	111.0247	0.008	13	110.8495	0.434	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	111.4318	2.163	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	113.4885	2.493	2	113.4885	6.213	2	112.1677	4.398	4	111.4318	2.163	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8470	0.057	2	110.8470	0.003	2	112.1677	4.398	4	111.4318	2.163	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:N-3:	C[5]-4:	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9335	0.124	4	110.9335	0.015	4	110.9335	0.015	4	111.4318	2.163	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	H(C[5]C[5]2H)	110.9060	0.006	2	110.9060	0.000	2	110.9060	0.000	2	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5460	0.000	1	110.5366	0.006	14	110.5366	0.006	14	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5580	0.068	11	110.5366	0.006	14	110.5366	0.006	14	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4145	0.015	2	110.5366	0.006	14	110.5366	0.006	14	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9720	0.035	2	110.9720	0.001	2	110.9560	0.001	4	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9400	0.031	2	110.9400	0.001	2	110.9560	0.001	4	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6875	0.043	2	110.6875	0.002	2	110.6875	0.002	2	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2175	0.025	2	111.2175	0.001	2	111.2175	0.001	2	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0907	0.212	4	111.0907	0.045	4	111.0279	0.057	8	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2065	0.029	2	111.2065	0.001	2	111.0279	0.057	8	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2{1|O<1>,1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7235	0.006	2	110.7235	0.000	2	111.0279	0.057	8	110.7869	0.076	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.4030	0.054	4	110.4030	0.003	4	110.4030	0.003	4	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	112.7140	0.460	2	112.7140	0.211	2	112.7140	0.211	2	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7700	0.021	2	110.7700	0.000	2	110.6557	0.612	30	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.5050	0.023	2	110.5050	0.001	2	110.6557	0.612	30	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.3964	0.262	16	110.4407	0.077	18	110.6557	0.612	30	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.7955	0.033	2	110.4407	0.077	18	110.6557	0.612	30	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.3820	1.567	6	111.3820	2.456	6	110.6557	0.612	30	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.4475	0.013	2	110.4475	0.000	2	110.6557	0.612	30	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.4089	0.095	8	110.4089	0.009	8	110.4089	0.009	8	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.7775	0.072	4	110.7775	0.005	4	110.5616	0.312	8	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|S<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.2970	1.335	2	110.2970	1.782	2	110.5616	0.312	8	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.3945	0.022	2	110.3945	0.000	2	110.5616	0.312	8	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.7010	0.057	2	110.7010	0.003	2	110.7010	0.003	2	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2604	0.045	7	111.2604	0.002	7	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9765	0.018	2	110.9765	0.000	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9743	0.042	3	110.9743	0.002	3	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9523	0.232	4	110.8367	0.023	12	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7790	0.045	8	110.8367	0.023	12	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0617	0.088	4	111.0617	0.008	4	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	113.1300	1.025	2	113.1300	1.051	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.5575	0.029	2	110.5575	0.001	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3690	0.017	2	110.3690	0.000	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8307	0.085	7	110.8307	0.007	7	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2345	0.056	2	111.2345	0.003	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.5490	2.380	2	111.5490	5.665	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2390	0.000	1	111.2390	0.000	1	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9500	0.126	4	110.9500	0.016	4	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1410	0.059	2	111.1410	0.004	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9020	0.000	1	111.2160	0.939	4	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6580	0.000	1	111.2160	0.939	4	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.6520	1.424	2	111.2160	0.939	4	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6705	0.011	2	111.0585	1.594	12	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8537	1.545	4	111.0585	1.594	12	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3090	0.000	1	111.0585	1.594	12	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	112.8780	1.464	2	111.0585	1.594	12	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6270	0.108	3	111.0585	1.594	12	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	112.3670	0.348	2	112.3670	0.121	2	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6890	0.023	2	110.9048	0.052	5	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.2310	0.000	1	110.9048	0.052	5	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9575	0.039	2	110.9048	0.052	5	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|F<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1010	0.000	1	111.1010	0.000	1	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2405	0.905	19	111.1959	0.757	21	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7725	0.011	2	111.1959	0.757	21	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.8602	0.468	6	110.8602	0.219	6	111.0971	0.589	103	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H){1|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.8175	0.016	2	110.8175	0.000	2	110.5864	0.031	8	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{2|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6015	0.028	2	110.6015	0.001	2	110.5864	0.031	8	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.4633	0.124	4	110.4633	0.015	4	110.5864	0.031	8	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2{1|S<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	H(C[5]C[5]2H)	110.7210	0.027	2	110.7210	0.001	2	112.2612	5.486	6	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9380	0.014	2	110.9380	0.000	2	112.2612	5.486	6	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{2|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	115.1245	1.669	2	115.1245	2.787	2	112.2612	5.486	6	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0875	0.013	2	111.0875	0.000	2	111.0875	0.000	2	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7250	0.007	2	110.7250	0.000	2	110.5555	0.038	4	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,1|S<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.3860	0.023	2	110.3860	0.001	2	110.5555	0.038	4	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	111.1319	0.171	10	111.1319	0.029	10	111.1319	0.029	10	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	H(C[5]C[5]N[5]H)	110.5560	0.074	2	110.5560	0.005	2	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|Se<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7303	0.058	3	110.7303	0.003	3	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8220	0.000	1	110.8220	0.000	1	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1360	0.033	2	111.1360	0.001	2	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3660	0.000	1	111.3660	0.000	1	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2595	0.097	4	111.2595	0.009	4	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.9035	1.111	2	111.9035	1.234	2	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1040	0.007	2	111.1040	0.000	2	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8425	0.013	2	111.1372	0.116	4	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4320	0.021	2	111.1372	0.116	4	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9865	0.015	2	111.2005	0.061	4	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4145	0.023	2	111.2005	0.061	4	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	112.6000	0.345	2	111.7410	1.024	4	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8820	0.010	2	111.7410	1.024	4	111.2114	0.313	29	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2{1|B<4>,1|O<2>}	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1150	0.010	2	111.1150	0.000	2	110.9027	0.135	3	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|O<1>}	H(C[5]C[5]N[5]H)	110.4780	0.000	1	110.4780	0.000	1	110.9027	0.135	3	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.7830	0.716	2	111.7830	0.512	2	111.7830	0.512	2	111.0144	0.672	222	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.5945	0.009	2	110.5945	0.000	2	110.5945	0.000	2	110.7899	0.127	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.5010	0.037	2	110.5010	0.001	2	110.7145	0.061	4	110.7899	0.127	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9280	0.025	2	110.9280	0.001	2	110.7145	0.061	4	110.7899	0.127	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	110.7899	0.127	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8185	0.015	2	110.8185	0.000	2	111.0967	0.047	6	111.0505	0.041	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2090	0.035	2	111.2090	0.001	2	111.0967	0.047	6	111.0505	0.041	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2625	0.013	2	111.2625	0.000	2	111.0967	0.047	6	111.0505	0.041	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9120	0.013	2	110.9120	0.000	2	110.9120	0.000	2	111.0505	0.041	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.3215	0.025	2	110.3787	0.005	4	110.3787	0.005	4	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.4360	0.028	2	110.3787	0.005	4	110.3787	0.005	4	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1325	1.500	2	111.1325	2.249	2	110.9052	0.819	4	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6780	0.024	2	110.6780	0.001	2	110.9052	0.819	4	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8335	0.022	2	110.8335	0.000	2	110.8335	0.000	2	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0643	0.018	3	111.0643	0.000	3	111.0643	0.000	3	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.1315	0.200	6	110.2854	0.477	12	110.2854	0.477	12	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{2|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.4393	0.976	6	110.2854	0.477	12	110.2854	0.477	12	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.1420	0.000	1	111.0200	0.012	3	111.0200	0.012	3	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.9590	0.045	2	111.0200	0.012	3	111.0200	0.012	3	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,2|N<2>}	H(C[5]C[5]2H)	112.1150	0.864	4	112.1150	0.746	4	111.8780	0.582	6	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.4040	0.011	2	111.4040	0.000	2	111.8780	0.582	6	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6230	0.037	2	110.6230	0.001	2	110.7110	0.030	8	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8265	0.006	2	110.8265	0.000	2	110.7110	0.030	8	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6972	0.234	4	110.6972	0.055	4	110.7110	0.030	8	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8440	0.004	2	110.8440	0.000	2	110.8440	0.000	2	110.7983	0.516	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.2900	0.006	2	111.2900	0.000	2	111.2900	0.000	2	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]B[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]B[5]C)(H)2{1|N<3>}	C[5](C[5]C[5]HH)(O[5]B[5])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	112.1890	0.007	2	112.1890	0.000	2	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.2148	0.059	4	111.2148	0.004	4	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]2H)	111.3490	0.081	8	110.9449	0.876	29	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	110.5310	0.409	2	110.9449	0.876	29	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8183	1.115	19	110.9449	0.876	29	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.5200	0.045	2	110.9640	3.179	32	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Si<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Si<4>,1|H<1>}	H(C[5]C[5]2H)	111.6899	1.023	20	110.9640	3.179	32	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]2H)	109.4010	2.188	10	110.9640	3.179	32	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|I<1>}	H(C[5]C[5]2H)	111.4470	0.000	1	111.4470	0.000	1	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]P[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]P[5]C)(H)2{1|Mo<6>,1|C<3>}	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|Mo<6>,2|C<3>}	H(C[5]C[5]2H)	110.3230	0.227	4	110.3230	0.052	4	110.9753	1.808	72	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2{1|N<3>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<2>,1|N<3>}	H(C[5]C[5]2H)	110.1680	0.014	2	110.1680	0.000	2	110.1680	0.000	2	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|S<1>,2|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	110.6410	4.091	2	110.6410	16.739	2	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0605	0.040	2	111.0977	1.069	10	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	110.5270	2.947	2	111.0977	1.069	10	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	111.3285	0.008	2	111.0977	1.069	10	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|W<6>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|W<6>}	H(C[5]C[5]N[5]H)	111.2862	0.095	4	111.0977	1.069	10	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]H)	124.0650	0.484	2	124.0650	0.234	2	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4664	1.137	36	111.4916	1.033	55	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.9930	0.690	3	111.4916	1.033	55	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	111.4242	0.672	6	111.4916	1.033	55	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.2401	0.233	8	111.4916	1.033	55	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|O<2>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	112.4015	1.988	2	111.4916	1.033	55	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	111.6778	0.038	4	111.6778	0.001	4	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.7610	0.040	2	110.7610	0.002	2	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]N[5]H)	111.0055	0.005	2	111.0055	0.000	2	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.7817	0.028	3	110.7817	0.001	3	111.6877	5.084	80	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4402	0.119	5	111.4668	0.007	13	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4965	0.029	4	111.4668	0.007	13	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4702	0.077	4	111.4668	0.007	13	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Al)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Al)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Al<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8080	0.060	4	110.8080	0.004	4	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.4815	0.026	2	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.5150	0.000	1	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.5650	0.038	2	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	114.7310	1.752	2	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	111.6145	0.053	2	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<2>,1|O<1>}	H(C[5]C[5]N[5]H)	112.1605	0.743	4	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.5895	1.456	141	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.5691	0.415	64	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	111.7140	0.012	3	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.7840	0.080	6	111.6006	1.493	227	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cd)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Cd)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<5>,1|C<4>}	H(C[5]C[5]N[5]H)	110.9180	0.018	2	110.9180	0.000	2	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8910	0.018	2	110.9386	0.004	17	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.9171	0.050	7	110.9386	0.004	17	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]N[5]H)	110.9693	0.063	8	110.9386	0.004	17	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<4>,1|N<2>}	H(C[5]C[5]N[5]H)	111.2565	0.015	2	111.1005	0.015	8	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2{1|O<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<2>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0485	0.086	6	111.1005	0.015	8	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.0968	0.123	35	111.0927	0.014	39	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0572	0.042	4	111.0927	0.014	39	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.5335	0.138	8	111.6995	0.293	58	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	111.4882	0.028	4	111.6995	0.293	58	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.7620	0.585	44	111.6995	0.293	58	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.4100	1.063	2	111.6995	0.293	58	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.5388	3.271	18	111.5183	9.579	20	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]N[5]H)	111.3335	0.046	2	111.5183	9.579	20	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Mn<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.1685	0.016	2	111.1685	0.000	2	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.0832	0.086	10	111.0734	0.006	14	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0487	0.024	4	111.0734	0.006	14	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Os)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Os)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Os<9>,1|C<3>}	H(C[5]C[5]N[5]H)	111.4900	0.031	2	111.4900	0.001	2	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|P<4>}	H(C[5]C[5]N[5]H)	111.7630	0.028	2	111.7630	0.001	2	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	111.1522	0.193	22	111.0850	0.045	44	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0928	0.138	16	111.0850	0.045	44	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]N[5]H)	110.9527	0.191	4	111.0850	0.045	44	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<6>,1|C<4>}	H(C[5]C[5]N[5]H)	110.5470	0.102	2	111.0850	0.045	44	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.1461	0.216	10	111.1461	0.047	10	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]N[5]H)	111.2132	0.067	31	111.1903	0.008	36	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0482	0.074	5	111.1903	0.008	36	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.9010	0.000	1	110.9860	0.014	2	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0710	0.000	1	110.9860	0.014	2	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8053	0.060	4	111.4756	1.101	12	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]N[5]H)	110.9640	0.045	2	111.4756	1.101	12	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.1170	0.025	2	111.4756	1.101	12	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|N<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|N<3>}	H(C[5]C[5]N[5]H)	112.5810	1.243	4	111.4756	1.101	12	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|O<2>}	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|B<4>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	110.8790	0.082	2	110.8790	0.007	2	111.4224	1.141	514	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|O<1>,1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	109.9935	0.050	2	113.0050	19.506	4	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|S<1>,1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	116.0165	4.716	2	113.0050	19.506	4	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2{1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|B<4>,1|S<2>}	H(C[5]C[5]N[5]H)	109.8000	0.083	4	109.8000	0.007	4	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.3640	0.469	3	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.3905	0.317	2	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	110.5157	0.057	7	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	109.9990	0.330	17	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	110.1250	0.020	2	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.2520	1.053	23	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	109.7900	0.004	2	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	110.3990	0.368	25	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]H)	109.8054	0.331	10	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<2>}	H(C[5]C[5]N[5]H)	110.0156	0.143	7	110.1962	0.369	98	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]H)	109.8675	0.156	34	109.8675	0.024	34	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.8570	0.126	3	110.8244	1.910	31	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.3570	0.134	4	110.8244	1.910	31	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2170	1.560	2	110.8244	1.910	31	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	110.5190	0.008	2	110.8244	1.910	31	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.7180	1.812	12	110.8244	1.910	31	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	110.0915	0.009	2	110.8244	1.910	31	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<2>}	H(C[5]C[5]N[5]H)	110.0477	0.212	6	110.8244	1.910	31	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]N[5]H)	109.5445	0.057	2	109.5445	0.003	2	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]N[5]H)	109.8475	0.011	2	109.8475	0.000	2	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|P<3>}	H(C[5]C[5]N[5]H)	109.4850	0.065	2	109.7933	0.062	6	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|P<3>}	H(C[5]C[5]N[5]H)	109.8835	0.005	2	109.7933	0.062	6	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|S<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|P<3>,1|S<1>}	H(C[5]C[5]N[5]H)	110.0115	0.063	2	109.7933	0.062	6	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	109.9325	0.022	2	109.9325	0.000	2	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2{1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pt<6>,1|S<2>}	H(C[5]C[5]N[5]H)	109.8847	0.037	3	109.8847	0.001	3	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]N[5]H)	109.9542	0.232	16	109.9542	0.054	16	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Ru)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Ru)(H)2{1|S<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ru<7>,1|S<2>}	H(C[5]C[5]N[5]H)	109.5190	0.066	2	109.5190	0.004	2	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.0240	0.016	2	110.2786	0.026	10	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|S<4>}	H(C[5]C[5]N[5]H)	110.3917	0.050	6	110.2786	0.026	10	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|S<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.1940	0.028	2	110.2786	0.026	10	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]N[5]H)	109.8220	0.027	2	109.8220	0.001	2	110.2283	0.960	216	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5]Mg)(H)2{1|C<4>,1|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|Mg<6>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	111.3063	0.208	8	111.3063	0.043	8	111.3063	0.043	8	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]H)	113.3080	0.095	2	110.5946	2.012	11	110.5946	2.012	11	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{2|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]S[5]H)	109.9917	0.514	9	110.5946	2.012	11	110.5946	2.012	11	111.1111	1.763	905	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.4428	1.112	4	111.4428	1.236	4	111.8200	1.632	6	111.8200	1.632	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	112.5745	1.657	2	112.5745	2.745	2	111.8200	1.632	6	111.8200	1.632	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){2|C<3>}	H(C[5]C[5]2H)	111.3782	0.040	4	111.3782	0.002	4	111.3782	0.002	4	111.3557	0.002	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3105	0.039	2	111.3105	0.002	2	111.3105	0.002	2	111.3557	0.002	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO){2|C<3>}	H(C[5]C[5]2H)	111.4720	0.018	2	111.4720	0.000	2	111.4720	0.000	2	111.4720	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H){1|C<1>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	114.5895	4.614	2	114.5895	21.288	2	114.5895	21.288	2	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	112.8798	2.404	8	112.8798	5.778	8	112.6820	5.408	9	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.1000	0.000	1	111.1000	0.000	1	112.6820	5.408	9	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2{1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H){1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	111.5680	0.023	3	111.5680	0.001	3	111.5680	0.001	3	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9330	0.011	2	110.9330	0.000	2	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.4465	0.013	2	111.3193	0.838	6	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	H(C[5]C[5]N[5]H)	111.2558	1.175	4	111.3193	0.838	6	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	111.3380	0.008	2	111.3380	0.000	2	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.6152	0.406	9	111.6152	0.165	9	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2{1|O<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	H(C[5]C[5]N[5]H)	111.5616	0.493	8	111.5616	0.243	8	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|S<4>}	H(C[5]C[5]N[5]H)	110.9827	0.020	3	110.9827	0.000	3	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2{2|O<1>}	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H){1|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	111.0657	0.033	3	111.0657	0.001	3	111.3828	0.287	33	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2{1|S<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H){1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	110.4700	1.147	2	110.4700	1.315	2	110.4343	0.441	4	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2{1|N<2>}	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H){1|N<2>,1|S<4>}	H(C[5]C[5]N[5]H)	110.3985	0.036	2	110.3985	0.001	2	110.4343	0.441	4	111.6743	2.203	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH)	H(C[5]C[5]2H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH){1|C<2>,1|C<3>}	H(C[5]C[5]2H)	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.3785	0.073	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH){1|C<3>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	111.3785	0.073	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2{2|O<1>}	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO){1|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	112.4985	0.056	2	112.4985	0.003	2	112.5298	0.145	4	112.5298	0.145	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2{2|O<1>}	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO){1|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	112.5610	0.653	2	112.5610	0.427	2	112.5298	0.145	4	112.5298	0.145	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]B[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]B[5]C)(H)2{1|N<3>}	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	110.6958	1.888	4	110.6958	3.565	4	111.2195	1.429	11	111.2195	1.429	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9500	0.290	3	110.9500	0.084	3	111.2195	1.429	11	111.2195	1.429	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]N[5]S)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]N[5]S)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{1|S<4>}	H(C[5]C[5]2H)	111.9455	0.006	4	111.9455	0.000	4	111.2195	1.429	11	111.2195	1.429	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2Br)	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1540	0.024	2	111.1540	0.001	2	111.1540	0.001	2	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|C<3>,1|S<2>}	H(C[5]C[5]2H)	111.1155	0.012	2	111.1155	0.000	2	111.1155	0.000	2	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8430	0.016	2	110.7973	1.065	46	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.4652	0.079	31	110.7973	1.065	46	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.7953	1.888	4	110.7973	1.065	46	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.8810	0.024	2	110.7973	1.065	46	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	112.3187	2.605	4	110.7973	1.065	46	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|Pt<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|Pt<4>,1|C<3>}	H(C[5]C[5]2H)	110.7840	0.051	3	110.7973	1.065	46	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.4650	0.055	2	110.8505	0.227	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.5770	0.000	1	110.8505	0.227	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	110.8235	0.006	2	110.8505	0.227	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7990	0.000	1	110.8505	0.227	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.0195	0.694	10	110.8505	0.227	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0570	0.101	4	110.8505	0.227	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.6230	0.181	6	110.8505	0.227	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Ir)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Ir<6>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Ir)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.0925	0.015	2	111.0925	0.000	2	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Si<4>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|Si<4>,1|H<1>}	H(C[5]C[5]2H)	111.0565	0.023	2	111.0565	0.001	2	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.9980	0.015	4	110.9214	0.009	23	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.9265	0.062	4	110.9214	0.009	23	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9605	0.067	8	110.9214	0.009	23	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.8905	0.011	2	110.9214	0.009	23	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.8058	0.119	5	110.9214	0.009	23	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Ir)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]Ir)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Ir<6>,1|H<1>}	H(C[5]C[5]2H)	110.0500	0.075	2	110.0500	0.006	2	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|Si<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Si<4>,1|N<2>}	H(C[5]C[5]2H)	110.8900	0.000	1	110.8900	0.000	1	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	110.9440	0.093	6	110.9341	0.007	10	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.9193	0.073	4	110.9341	0.007	10	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7650	0.011	2	110.7439	0.331	27	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8380	0.000	1	110.7439	0.331	27	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.5595	0.216	4	110.7439	0.331	27	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.6362	0.212	6	110.7439	0.331	27	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.1810	0.048	2	110.7439	0.331	27	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.7255	0.008	2	110.7439	0.331	27	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9849	0.869	10	110.7439	0.331	27	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.5990	0.059	4	110.7056	0.008	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	110.7760	0.062	4	110.7056	0.008	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6925	0.042	10	110.7056	0.008	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.6825	0.018	2	110.7056	0.008	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.7592	0.113	6	110.7056	0.008	26	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7346	0.032	5	110.7687	0.003	9	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8113	0.040	4	110.7687	0.003	9	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6879	0.083	7	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.4901	0.800	20	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.0929	0.797	20	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	112.6401	1.365	8	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.0660	0.017	2	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.5380	0.017	2	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|I<2>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|I<2>,1|O<1>}	H(C[5]C[5]2H)	110.6523	0.102	7	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.3794	0.181	8	111.1947	0.909	74	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.7777	1.373	4	111.4364	2.101	53	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]2H)	110.6940	0.181	8	111.4364	2.101	53	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<3>,1|C<3>}	H(C[5]C[5]2H)	112.0345	1.493	4	111.4364	2.101	53	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]2H)	111.8275	2.059	21	111.4364	2.101	53	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<5>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]2H)	111.1355	0.033	4	111.4364	2.101	53	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Rh<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Rh<4>,1|C<3>}	H(C[5]C[5]2H)	111.0345	0.039	8	111.4364	2.101	53	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Rh<6>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]2H)	111.0327	0.102	4	111.4364	2.101	53	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<3>}	H(C[5]C[5]2H)	111.1570	0.011	2	111.1570	0.000	2	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.7390	0.036	4	110.8146	0.041	16	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.9939	0.050	8	110.8146	0.041	16	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]2H)	110.5318	0.010	4	110.8146	0.041	16	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.1090	0.393	2	110.1090	0.155	2	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|N<2>}	H(C[5]C[5]2H)	111.0805	0.006	2	111.0805	0.000	2	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|N<2>}	H(C[5]C[5]2H)	111.1795	0.094	4	111.1795	0.009	4	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6252	0.031	4	110.7247	0.011	18	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7946	0.084	10	110.7247	0.011	18	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	110.6492	0.040	4	110.7247	0.011	18	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	109.9055	0.425	2	109.9055	0.181	2	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Br<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Br<1>,1|O<1>}	H(C[5]C[5]2H)	110.6635	0.111	26	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8923	1.125	106	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8717	0.782	111	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Cu<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Cu<4>,1|O<1>}	H(C[5]C[5]2H)	110.9610	0.045	2	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9811	0.882	94	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<1>,1|O<1>}	H(C[5]C[5]2H)	110.7410	0.642	54	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<2>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<2>,1|O<1>}	H(C[5]C[5]2H)	110.8843	0.125	12	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.6287	0.081	15	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.8014	1.065	88	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|S<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|S<2>}	H(C[5]C[5]2H)	110.5587	0.072	7	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<1>}	H(C[5]C[5]2H)	110.9433	0.086	23	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<2>}	H(C[5]C[5]2H)	111.0619	0.091	7	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<1>}	H(C[5]C[5]2H)	110.9093	0.057	6	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<6>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<6>,1|O<1>}	H(C[5]C[5]2H)	110.9793	0.037	4	110.8572	0.721	555	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.0658	0.500	4	110.0658	0.250	4	110.9004	0.744	906	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0000	0.025	2	111.1025	4.055	4	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.2050	3.482	2	111.1025	4.055	4	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8280	1.303	4	110.8280	1.697	4	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7108	0.156	5	110.7616	0.038	9	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6360	0.023	2	110.7616	0.038	9	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]2H)	111.0140	0.180	2	110.7616	0.038	9	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.9373	0.123	4	110.9373	0.015	4	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.9785	0.018	2	110.6156	31.328	8	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.4946	6.617	6	110.6156	31.328	8	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|I<1>}	H(C[5]C[5]2H)	111.2950	0.054	2	111.2950	0.003	2	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]2H)	111.4475	0.016	2	111.2990	0.030	4	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5]2H)	111.1505	0.023	2	111.2990	0.030	4	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	110.9705	0.011	2	110.9705	0.000	2	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	112.9035	4.064	2	112.9035	16.514	2	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<2>}	H(C[5]C[5]2H)	111.5730	0.000	1	111.5730	0.000	1	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.2715	3.722	2	111.2715	13.850	2	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2{1|S<4>}	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2{1|H<1>}	H(C[5]C[5]2H)	111.6420	0.013	2	111.6420	0.000	2	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.3623	0.100	4	111.3766	0.205	33	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7335	0.018	2	111.3766	0.205	33	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|O<2>}	H(C[5]C[5]2H)	111.2605	0.018	2	111.3766	0.205	33	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.3606	0.235	16	111.3766	0.205	33	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.5802	0.748	9	111.3766	0.205	33	111.1898	3.773	77	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Ca<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.7495	2.604	2	110.7495	6.782	2	109.4011	11.453	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Li<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.2805	0.018	4	110.7798	2.728	12	109.4011	11.453	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Li<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.5295	2.018	8	110.7798	2.728	12	109.4011	11.453	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.6465	0.028	2	106.1942	18.534	6	109.4011	11.453	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{3|H<1>}	H(C[5]C[5]2H)	103.9680	3.327	4	106.1942	18.534	6	109.4011	11.453	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2005	2.838	2	111.0920	4.061	3	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8750	0.000	1	111.0920	4.061	3	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9193	0.125	6	110.9106	0.011	10	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8330	0.023	2	110.9106	0.011	10	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]H)	110.9620	0.010	2	110.9106	0.011	10	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9185	0.025	2	112.4273	13.716	8	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	112.9302	4.241	6	112.4273	13.716	8	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0765	0.013	2	110.9290	0.065	3	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.6340	0.000	1	110.9290	0.065	3	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.7325	1.583	2	110.7325	2.507	2	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	112.0450	0.882	4	112.0450	0.778	4	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]N[5]H)	110.9433	0.073	4	110.9433	0.005	4	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|I<1>}	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]N[5]H)	110.5770	0.008	2	110.5770	0.000	2	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>}	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]N[5]H)	110.6303	0.023	3	110.6303	0.001	3	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<2>}	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.1400	0.052	2	111.1400	0.003	2	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	114.4895	0.982	2	114.4895	0.965	2	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.5430	0.111	4	110.6793	0.071	30	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	H(C[5]C[5]N[5]H)	110.6662	0.215	9	110.6793	0.071	30	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9530	0.041	2	110.6793	0.071	30	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.5789	0.157	13	110.6793	0.071	30	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|O<2>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	111.3895	0.013	2	110.6793	0.071	30	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2{1|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2{1|S<4>}	H(C[5]C[5]N[5]H)	111.3800	0.007	2	111.3800	0.000	2	111.1393	2.166	75	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.8829	0.073	7	110.8343	0.008	24	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.7966	0.084	14	110.8343	0.008	24	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|Pt<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]H)	110.8967	0.034	3	110.8343	0.008	24	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|Pd<4>,2|C<3>,2|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|Pd<4>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9155	0.160	4	110.9155	0.026	4	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	113.5200	1.584	2	112.6657	3.444	3	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|S<1>,2|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	110.9570	0.000	1	112.6657	3.444	3	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Al<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Al<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.1985	0.005	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9032	0.207	29	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9460	0.569	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.9604	0.286	24	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	111.0476	0.203	8	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2440	0.114	9	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2615	0.022	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	111.5505	0.005	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.2638	0.034	4	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1265	0.259	39	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	111.2315	0.236	96	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	111.2339	0.206	88	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1850	0.006	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2648	0.311	12	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.1051	0.075	7	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<2>}	H(C[5]C[5]N[5]H)	113.5990	2.060	8	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<3>}	H(C[5]C[5]N[5]H)	111.3440	1.397	22	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<4>}	H(C[5]C[5]N[5]H)	111.1226	0.156	26	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<6>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<6>}	H(C[5]C[5]N[5]H)	111.8768	1.599	23	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]H)	111.1418	0.193	16	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|F<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|F<1>}	H(C[5]C[5]N[5]H)	112.6760	2.210	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6483	0.812	28	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>}	H(C[5]C[5]N[5]H)	110.9540	0.008	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1050	0.126	8	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	112.9410	0.065	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0130	0.345	4	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.2554	0.028	7	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<4>}	H(C[5]C[5]N[5]H)	111.2642	0.064	6	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<2>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<2>,1|C<4>}	H(C[5]C[5]N[5]H)	111.6665	0.128	4	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.2419	0.091	7	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.4928	0.856	50	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.3400	0.110	20	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<6>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<6>,1|C<4>}	H(C[5]C[5]N[5]H)	111.2867	0.093	4	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	H(C[5]C[5]N[5]H)	111.5703	0.102	8	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	H(C[5]C[5]N[5]H)	111.3061	0.122	16	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Se<2>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Se<2>,1|C<4>}	H(C[5]C[5]N[5]H)	110.9175	0.193	4	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Si<5>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Si<5>,1|C<4>}	H(C[5]C[5]N[5]H)	111.3595	0.049	4	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]N[5]H)	111.2950	0.093	2	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<4>}	H(C[5]C[5]N[5]H)	111.1273	0.115	8	111.2611	0.480	607	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0752	0.128	22	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	110.9405	0.116	4	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8727	0.081	9	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	112.7597	0.652	4	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	111.2193	0.078	12	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	111.1730	0.018	2	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1825	0.018	2	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2236	0.457	7	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]H)	111.7690	3.024	2	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<2>}	H(C[5]C[5]N[5]H)	111.1030	0.116	37	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Re<5>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|C<4>}	H(C[5]C[5]N[5]H)	111.3590	0.014	2	111.1775	0.245	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|S<2>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	111.0175	0.052	2	110.9972	0.006	9	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9914	0.086	7	110.9972	0.006	9	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.5676	0.112	14	110.5972	0.014	18	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.7010	0.063	4	110.5972	0.014	18	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Cu)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Cu)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.9175	0.029	2	110.9175	0.001	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]H)	113.6036	3.650	10	113.6036	13.323	10	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<1>}	H(C[5]C[5]N[5]H)	112.2290	1.334	2	111.0347	5.169	3	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|S<1>,2|N<2>}	H(C[5]C[5]N[5]H)	108.6460	0.000	1	111.0347	5.169	3	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4450	0.154	10	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2823	0.098	25	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	114.1815	4.179	4	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1040	0.000	1	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	111.2451	0.076	11	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.1975	0.016	2	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3120	0.256	7	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	112.6585	1.865	2	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	H(C[5]C[5]N[5]H)	111.3023	0.085	35	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Re<5>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4600	0.038	2	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{2|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2062	0.117	4	111.3423	0.993	103	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<4>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3843	0.113	13	111.3850	0.011	15	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<6>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3895	0.016	2	111.3850	0.011	15	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Cu)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.5040	0.000	1	111.5040	0.000	1	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	114.3488	4.569	10	114.3488	20.876	10	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0938	0.133	11	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4210	0.533	104	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3238	0.187	26	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	112.3444	1.177	18	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	112.0928	1.474	19	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3735	0.529	81	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	112.7295	1.804	4	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	111.3030	0.089	10	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<2>}	H(C[5]C[5]N[5]H)	111.3804	0.134	33	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<3>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<3>}	H(C[5]C[5]N[5]H)	111.3727	0.137	11	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4130	0.073	8	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pt<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pt<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4290	0.063	10	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3503	0.084	3	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3784	0.103	20	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<8>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<8>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3885	0.059	4	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|H<1>}	H(C[5]C[5]N[5]H)	111.5227	0.019	3	111.4778	0.433	365	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ir)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ir<8>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3040	0.045	2	111.3040	0.002	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<5>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4253	0.116	4	111.4080	0.014	6	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3735	0.169	2	111.4080	0.014	6	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	111.0080	0.018	2	111.0080	0.000	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ni<6>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3684	0.085	7	111.3684	0.007	7	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Os)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Os<9>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Os)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1120	0.065	2	111.1120	0.004	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9915	1.402	6	110.9915	1.965	6	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Rh)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Rh<8>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Rh)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2077	0.071	6	111.2077	0.005	6	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<6>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3962	0.145	8	111.3978	0.016	10	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4040	0.011	2	111.3978	0.016	10	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|S<1>,1|S<4>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	111.1220	0.028	2	111.1220	0.001	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4684	0.188	7	111.4298	0.055	11	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3623	0.320	4	111.4298	0.055	11	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ir)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]N[5]H)	110.9835	0.042	2	110.9835	0.002	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8535	0.199	4	110.8860	0.019	8	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.9185	0.047	4	110.8860	0.019	8	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|H<1>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>}	H(C[5]C[5]N[5]H)	111.3780	0.025	2	111.3780	0.001	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.7275	0.060	6	110.7275	0.004	6	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Os)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Os)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Os<9>,1|C<3>}	H(C[5]C[5]N[5]H)	111.1230	0.055	2	111.1230	0.003	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	111.3557	3.152	6	111.3557	9.933	6	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Rh)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Rh)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Rh<8>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8710	0.042	6	110.8710	0.002	6	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.7367	0.102	6	110.7569	0.009	8	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8175	0.056	2	110.7569	0.009	8	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.0521	0.120	7	111.0360	0.012	9	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|S<2>}	H(C[5]C[5]N[5]H)	110.9795	0.018	2	111.0360	0.012	9	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|H<1>,1|S<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|S<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1305	0.062	2	111.1305	0.004	2	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.3143	0.392	4	111.3143	0.154	4	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8136	0.075	8	110.7746	0.011	12	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]N[5]H)	110.6965	0.115	4	110.7746	0.011	12	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2{1|C<3>}	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	110.4818	0.356	4	110.4818	0.127	4	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|C<4>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	109.9320	0.150	4	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	110.6645	0.056	4	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.1323	0.461	3	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>,1|O<1>}	H(C[5]C[5]N[5]H)	110.1627	0.222	3	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	H(C[5]C[5]N[5]H)	110.1848	0.168	4	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<6>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<6>}	H(C[5]C[5]N[5]H)	110.4791	0.211	8	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	110.4557	0.098	4	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	H(C[5]C[5]N[5]H)	110.7178	0.123	14	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ce<8>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ce<8>,1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5]N[5]H)	110.7537	0.112	4	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Cl<1>,1|Pt<4>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Cl<1>,1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]H)	110.4364	0.116	12	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	110.3960	0.283	22	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>}	H(C[5]C[5]N[5]H)	110.3049	0.091	8	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	110.4888	0.089	4	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>}	H(C[5]C[5]N[5]H)	110.5163	0.033	3	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.6103	0.390	6	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<4>,1|C<6>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<4>,1|C<6>}	H(C[5]C[5]N[5]H)	110.4786	0.138	7	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pd<4>,2|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pd<4>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6555	0.091	8	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.5373	0.167	12	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,2|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5441	0.200	15	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,2|C<3>}	H(C[5]C[5]N[5]H)	109.8375	0.088	2	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,2|C<3>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	110.0205	0.016	2	110.4644	0.071	149	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2{1|C<4>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	110.2593	0.060	4	110.2593	0.004	4	111.2403	0.819	1555	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Ca<8>,2|H<1>}	H(C[5]C[5]O[5]H)	113.4695	0.408	2	113.4695	0.166	2	112.1174	5.644	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Li<4>,1|H<1>}	H(C[5]C[5]O[5]H)	111.0320	0.024	4	111.0053	0.117	12	112.1174	5.644	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Li<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9919	0.428	8	111.0053	0.117	12	112.1174	5.644	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<5>,2|H<1>}	H(C[5]C[5]O[5]H)	111.1770	0.013	2	113.8910	13.684	6	112.1174	5.644	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<6>,2|H<1>}	H(C[5]C[5]O[5]H)	115.2480	3.929	4	113.8910	13.684	6	112.1174	5.644	20	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<2>,1|O<2>}	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<2>,1|O<2>}	H(C[5]C[5]O[5]H)	110.1994	0.092	7	110.1401	0.123	60	110.1401	0.123	60	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|N<2>}	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	110.1193	0.378	50	110.1401	0.123	60	110.1401	0.123	60	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|O<2>}	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	110.3487	0.083	3	110.1401	0.123	60	110.1401	0.123	60	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]H)	112.4288	2.816	4	112.4288	7.931	4	109.5117	3.979	18	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	108.6695	0.076	4	108.6782	0.006	14	109.5117	3.979	18	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|S<1>}	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|S<1>}	H(C[5]C[5]S[5]H)	108.7610	0.027	3	108.6782	0.006	14	109.5117	3.979	18	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{4|Cl<1>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{4|Cl<1>,1|C<4>}	H(C[5]C[5]S[5]H)	108.6477	0.078	7	108.6782	0.006	14	109.5117	3.979	18	111.0799	1.113	2736	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7150	0.021	2	111.0422	1.471	4	111.0422	1.471	4	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|O<1>,1|O<2>}	H(C[5]C[5]2H)	111.3695	1.996	2	111.0422	1.471	4	111.0422	1.471	4	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.7960	0.000	1	110.7960	0.000	1	110.7960	0.000	1	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8000	0.007	2	110.8000	0.000	2	110.8000	0.000	2	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	111.1950	0.096	2	111.1950	0.009	2	111.1950	0.009	2	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H)	H(C[5]N[5,6]C[5]H)	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	111.5403	0.044	6	111.5403	0.002	6	111.5403	0.002	6	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.3960	1.547	2	110.3960	2.394	2	110.7125	0.932	4	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0290	0.013	2	111.0290	0.000	2	110.7125	0.932	4	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	111.1169	0.491	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6365	0.037	2	110.6365	0.001	2	110.6365	0.001	2	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H){1|C<3>,1|C<4>,2|O<1>,2|O<2>}	H(C[5]C[5]2H)	110.6285	0.015	2	110.6285	0.000	2	110.6285	0.000	2	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8130	0.023	2	110.8811	1.401	7	110.8811	1.401	7	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.9084	1.448	5	110.8811	1.401	7	110.8811	1.401	7	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H){1|H<1>,2|C<3>,3|O<1>}	H(C[5]C[5]2H)	111.5045	2.228	2	111.5045	4.964	2	111.1030	1.870	4	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	H(C[5]C[5]2H)	110.7015	0.028	2	110.7015	0.001	2	111.1030	1.870	4	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6050	0.016	2	110.6050	0.000	2	110.8233	0.303	10	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.4670	0.591	4	110.4670	0.349	4	110.8233	0.303	10	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]H)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CNO)(H){1|H<1>}	H(C[5]C[5]2H)	111.5185	0.033	2	111.5185	0.001	2	110.8233	0.303	10	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.0590	0.007	2	111.0590	0.000	2	110.8233	0.303	10	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2726	0.169	8	111.2726	0.029	8	111.2116	0.075	26	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2078	0.117	4	111.2723	0.035	16	111.2116	0.075	26	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2938	0.204	12	111.2723	0.035	16	111.2116	0.075	26	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H){1|C<3>,1|S<4>}	H(C[5]C[5]N[5]H)	110.4820	0.044	2	110.4820	0.002	2	111.2116	0.075	26	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3307	0.184	3	111.3307	0.034	3	111.2388	0.463	11	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H){2|C<3>}	H(C[5]C[5]N[5]H)	111.3510	0.016	2	111.3510	0.000	2	111.2388	0.463	11	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1377	0.146	4	111.1377	0.021	4	111.2388	0.463	11	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]S[5]H)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2{1|H<1>,2|O<1>}	C[5](C[5]N[5]HH)(N[5]S[5]H)(COO)(H){1|C<4>,2|O<1>}	H(C[5]C[5]N[5]H)	111.1910	2.097	2	111.1910	4.399	2	111.2388	0.463	11	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5]O)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	110.4905	0.547	2	110.4905	0.299	2	110.4905	0.299	2	111.0540	0.423	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.5815	0.030	2	110.5815	0.001	2	110.5815	0.001	2	110.5815	0.001	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9040	0.000	1	110.9040	0.000	1	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6595	0.008	2	110.6595	0.000	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.6355	0.006	2	110.6355	0.000	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	114.5855	7.444	2	114.5855	55.409	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.1930	0.006	2	111.1930	0.000	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.2155	0.059	2	111.2155	0.003	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|N<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2690	0.018	2	111.2690	0.000	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.2233	0.131	4	111.2233	0.017	4	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3880	0.010	2	110.6782	0.113	4	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.9685	0.036	2	110.6782	0.113	4	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|N<2>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|N<2>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.4693	0.013	3	110.4693	0.000	3	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2{6|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5]2H)	111.3820	0.011	2	111.3820	0.000	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.9125	0.044	4	110.9125	0.002	4	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	112.8495	2.688	2	112.3543	1.897	8	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1160	0.259	2	112.3543	1.897	8	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	112.7258	0.792	4	112.3543	1.897	8	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.0825	0.016	2	111.0282	0.004	4	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9740	0.011	2	111.0282	0.004	4	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.8820	0.113	3	110.8142	0.016	5	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5]2H)	110.7125	0.049	2	110.8142	0.016	5	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|O<2>}	H(C[5]C[5]2H)	110.4875	0.043	2	110.4875	0.002	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.9662	0.142	21	110.9767	0.020	23	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	111.0870	0.045	2	110.9767	0.020	23	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|O<2>,3|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	111.3000	0.024	2	111.3000	0.001	2	111.1960	1.516	74	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<4>,3|C<3>}	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	H(C[5]C[5]2H)	111.2735	0.033	2	111.2735	0.001	2	111.2735	0.001	2	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2{3|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3473	0.042	4	110.3473	0.002	4	111.3633	3.903	24	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.8023	2.315	16	111.8023	5.358	16	111.3633	3.903	24	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.6235	0.030	4	110.6235	0.001	4	111.3633	3.903	24	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7698	0.053	4	110.7698	0.003	4	110.8017	0.015	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<3>,3|C<3>,3|O<1>}	H(C[5]C[5]2H)	110.6440	0.013	2	110.6440	0.000	2	110.8017	0.015	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7020	0.000	1	110.7020	0.000	1	110.8017	0.015	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	H(C[5]C[5]2H)	110.9550	0.024	2	110.9550	0.001	2	110.8017	0.015	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.9200	0.027	2	110.9200	0.001	2	110.8017	0.015	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.6785	0.030	2	110.6785	0.001	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.8040	0.008	2	110.8040	0.000	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.5825	0.008	2	110.5825	0.000	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.5690	0.055	2	110.4176	0.215	8	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	109.6765	0.053	2	110.4176	0.215	8	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7125	0.055	4	110.4176	0.215	8	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2{1|Ni<4>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H){1|Ni<4>,1|C<3>}	H(C[5]C[5]2H)	110.6130	0.000	1	110.6130	0.000	1	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.4565	0.054	2	110.4565	0.003	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.6685	0.009	2	110.6685	0.000	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8430	0.006	2	110.8430	0.000	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.6815	0.057	2	110.6815	0.003	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.5913	0.007	3	110.5913	0.000	3	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.7010	0.006	2	110.7010	0.000	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8930	0.072	2	110.8930	0.005	2	110.6115	0.078	30	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H){1|O<1>}	H(C[5]C[5]2H)	110.7405	0.022	2	110.7405	0.000	2	110.7405	0.000	2	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{2|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H){2|O<1>}	H(C[5]C[5]2H)	110.7200	0.018	2	110.7200	0.000	2	110.7200	0.000	2	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.6478	0.093	4	110.6478	0.009	4	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.5113	2.167	6	111.5113	4.696	6	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5505	0.016	2	110.5505	0.000	2	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.4470	0.000	1	111.4470	0.000	1	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7685	0.022	2	110.7685	0.000	2	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7760	0.010	4	110.7378	0.004	6	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.6615	0.023	2	110.7378	0.004	6	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	109.7915	0.040	2	110.5602	0.791	4	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.3290	0.078	2	110.5602	0.791	4	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<2>,1|C<4>,4|C<3>}	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9967	0.028	3	110.9967	0.001	3	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.5710	0.000	1	110.5710	0.000	1	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[5]C[5]2H)	110.9460	0.096	4	110.8385	0.033	6	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.6235	0.006	2	110.8385	0.033	6	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.0625	0.022	2	111.0625	0.000	2	110.8954	0.832	37	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8160	0.062	2	110.8160	0.004	2	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.7070	0.270	4	110.7070	0.073	4	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.5175	6.411	2	109.5175	41.105	2	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2{1|I<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){2|I<1>}	H(C[5]C[5]2H)	111.2575	0.021	2	111.2575	0.000	2	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H){1|C<4>}	H(C[5]C[5]2H)	111.5185	0.053	2	111.5185	0.003	2	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.1610	0.025	2	111.1610	0.001	2	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.2875	0.176	4	111.2875	0.031	4	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.1513	0.071	4	111.1513	0.005	4	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.9214	0.108	5	110.9214	0.012	5	110.9530	1.823	27	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7250	0.006	2	111.5487	4.642	11	111.5487	4.642	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6955	0.018	2	111.5487	4.642	11	111.5487	4.642	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7820	0.000	1	111.5487	4.642	11	111.5487	4.642	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	112.2355	2.835	6	111.5487	4.642	11	111.5487	4.642	11	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H){1|S<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7360	0.014	3	110.7360	0.000	3	110.7360	0.000	3	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.7560	0.021	2	110.7078	0.050	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0350	0.014	2	110.7078	0.050	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	110.7020	0.170	15	110.7078	0.050	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0765	0.103	2	110.7078	0.050	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0410	0.030	2	110.7078	0.050	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8145	0.056	2	110.7078	0.050	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	H(C[5]C[5]N[5]H)	110.4798	0.046	10	110.7078	0.050	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|N<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1405	0.016	2	111.1405	0.000	2	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5]N[5]H)	111.3270	0.047	2	111.3270	0.002	2	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.2190	0.107	2	111.1156	0.018	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1122	0.139	29	111.1156	0.018	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0885	0.122	4	111.1156	0.018	35	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	110.7830	0.006	2	110.7830	0.000	2	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	H(C[5]C[5]N[5]H)	110.6390	0.138	4	110.6390	0.019	4	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5]N[5]H)	110.8970	0.309	8	110.8970	0.096	8	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.3390	0.011	2	111.3390	0.000	2	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.6780	1.145	10	111.6780	1.311	10	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.5115	0.021	2	111.5115	0.000	2	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2370	0.007	2	111.2370	0.000	2	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.1565	0.056	4	111.1565	0.003	4	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2{1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2435	0.037	2	111.2435	0.001	2	111.0193	0.228	110	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0740	0.013	2	111.0740	0.000	2	111.0740	0.000	2	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.3273	0.150	22	111.1570	0.109	70	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.1731	0.341	13	111.1570	0.109	70	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0460	0.000	1	111.1570	0.109	70	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2375	0.032	2	111.1570	0.109	70	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0597	0.144	6	111.1570	0.109	70	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4114	0.102	10	111.1570	0.109	70	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	110.7841	0.355	16	111.1570	0.109	70	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2{1|C<4>,7|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5]N[5]H)	110.9955	0.033	2	110.9955	0.001	2	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.9405	0.008	2	110.4896	0.056	16	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	110.4376	0.182	12	110.4896	0.056	16	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.3510	0.025	2	110.4896	0.056	16	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6793	0.232	3	110.6793	0.054	3	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2{1|S<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7700	0.035	2	110.7700	0.001	2	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8630	0.049	2	110.8630	0.002	2	111.0118	0.158	95	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9265	0.080	2	110.9265	0.006	2	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2055	0.033	2	111.2055	0.001	2	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.0110	0.028	2	110.9576	0.136	9	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3763	0.051	3	110.9576	0.136	9	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.6167	0.165	4	110.9576	0.136	9	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5840	0.030	2	111.5840	0.001	2	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4580	0.034	2	111.4580	0.001	2	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7910	0.016	2	110.7910	0.000	2	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|C<4>}	H(C[5]C[5]N[5]H)	111.3552	0.080	5	111.3277	0.036	17	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3059	0.246	10	111.3277	0.036	17	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.3680	0.047	2	111.3277	0.036	17	111.1977	0.097	36	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2700	0.115	4	111.2700	0.013	4	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|Br<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6170	0.036	4	110.6170	0.001	4	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1655	0.009	2	110.8790	0.065	24	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0320	0.021	2	110.8790	0.065	24	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.5070	0.037	2	110.8790	0.065	24	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8294	0.275	12	110.8790	0.065	24	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9558	0.145	6	110.8790	0.065	24	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8263	0.426	3	111.1052	0.095	19	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1574	0.267	16	111.1052	0.095	19	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0155	0.030	2	110.9191	0.078	8	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0945	0.031	4	110.9191	0.078	8	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|N<3>,5|C<3>}	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.4720	0.054	2	110.9191	0.078	8	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9355	0.560	4	110.9355	0.314	4	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0920	0.021	2	111.0920	0.000	2	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4330	0.010	2	111.4330	0.000	2	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.6257	0.183	3	111.6257	0.034	3	111.0095	0.114	70	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1550	0.007	2	111.1550	0.000	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9565	0.023	2	110.9565	0.001	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	109.4565	0.019	2	109.4565	0.000	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	109.2625	1.691	2	109.2625	2.858	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9105	0.019	2	110.9105	0.000	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.1505	0.015	2	111.1505	0.000	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4741	0.116	8	110.4741	0.013	8	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.4975	0.012	2	111.4975	0.000	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	111.2480	0.000	1	111.2480	0.000	1	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2{1|O<1>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.6383	0.152	3	111.6383	0.023	3	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2{1|O<1>,1|O<2>}	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H){1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.3875	0.036	2	111.3875	0.001	2	110.7682	0.619	28	111.0239	0.731	565	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.8645	0.030	2	110.8645	0.001	2	110.6947	0.009	10	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6635	0.024	4	110.6635	0.001	4	110.6947	0.009	10	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6410	0.050	4	110.6410	0.002	4	110.6947	0.009	10	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.4735	0.005	2	110.8450	0.184	4	110.8450	0.184	4	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2165	0.026	2	110.8450	0.184	4	110.8450	0.184	4	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH)	H(C[5]C[5]2H)	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH){1|C<4>}	H(C[5]C[5]2H)	111.1525	0.052	4	111.1525	0.003	4	111.0305	0.019	8	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH){1|C<4>}	H(C[5]C[5]2H)	110.9085	0.029	4	110.9085	0.001	4	111.0305	0.019	8	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6765	0.047	4	110.6765	0.002	4	110.6765	0.002	4	110.8183	0.055	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5455	0.012	2	110.5455	0.000	2	110.5455	0.000	2	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	111.1180	0.041	2	111.1180	0.002	2	111.1180	0.002	2	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7295	0.026	2	110.7295	0.001	2	110.8758	0.044	6	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(COO){1|C<3>}	H(C[5]C[5]2H)	110.7545	0.046	2	110.7545	0.002	2	110.8758	0.044	6	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]HH)(COO){1|C<3>}	H(C[5]C[5]2H)	111.1435	0.015	2	111.1435	0.000	2	110.8758	0.044	6	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	112.8982	1.722	4	112.8982	2.965	4	112.1168	1.876	9	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	112.1405	0.460	2	112.1405	0.212	2	112.1168	1.876	9	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0590	0.226	3	111.0590	0.051	3	112.1168	1.876	9	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(COO){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.6790	0.000	1	110.6790	0.000	1	108.3940	19.507	3	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CHHN)(COO)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CHHN)(COO){1|C<3>}	H(C[5]C[5]2H)	107.2515	5.584	2	107.2515	31.181	2	108.3940	19.507	3	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]N[5]CN)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN)	H(C[5]C[5]2H)	C[5](C[5]N[5]CN)(C[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN){1|C<4>}	H(C[5]C[5]2H)	110.9645	0.019	2	110.9645	0.000	2	110.9645	0.000	2	111.0310	3.755	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	111.2780	0.051	2	111.2780	0.003	2	111.2780	0.003	2	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:B[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2{1|B<3>,1|C<3>}	H(C[5]C[5]2H)	110.0350	0.017	2	109.8138	0.032	6	109.8138	0.032	6	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:B[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2{1|B<4>,1|C<3>}	H(C[5]C[5]2H)	109.7032	0.069	4	109.8138	0.032	6	109.8138	0.032	6	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	H(C[5]C[5]2H)	110.9841	0.086	14	111.1001	0.071	27	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	H(C[5]C[5]2H)	111.3215	0.015	2	111.1001	0.071	27	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Co<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Co<4>,1|C<3>}	H(C[5]C[5]2H)	111.1625	0.039	2	111.1001	0.071	27	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]2H)	111.4710	0.202	2	111.1001	0.071	27	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Pd<4>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]2H)	111.6130	0.000	1	111.1001	0.071	27	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]2H)	111.0672	0.415	6	111.1001	0.071	27	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{2|C<3>}	H(C[5]C[5]2H)	110.9325	0.023	2	110.9325	0.001	2	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|S<2>}	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|C<3>}	H(C[5]C[5]2H)	110.7945	0.025	4	110.7945	0.001	4	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.4648	0.057	4	110.4320	0.003	8	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.3992	0.033	4	110.4320	0.003	8	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2{1|C<3>}	H(C[5]C[5]2H)	111.1985	0.127	6	111.1985	0.016	6	110.9658	0.112	47	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[5]C[5]2H)	110.3095	0.018	2	110.3095	0.000	2	110.3095	0.000	2	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<4>}	H(C[5]C[5]2H)	112.9120	0.506	2	112.9120	0.256	2	111.6713	0.734	12	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|S<4>}	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)2{1|C<4>}	H(C[5]C[5]2H)	112.6810	0.185	2	112.6810	0.034	2	111.6713	0.734	12	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.1467	0.161	4	111.1467	0.026	4	111.6713	0.734	12	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.0708	0.115	4	111.0708	0.013	4	111.6713	0.734	12	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8960	0.126	2	110.8960	0.016	2	110.8960	0.016	2	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.8530	0.027	2	110.8530	0.001	2	111.1727	0.056	30	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.6185	0.011	2	111.1481	0.078	16	111.1727	0.056	30	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2238	0.202	14	111.1481	0.078	16	111.1727	0.056	30	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2414	0.126	10	111.2414	0.016	10	111.1727	0.056	30	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3450	0.020	2	111.3450	0.000	2	111.1727	0.056	30	111.0344	0.308	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:B[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(B[5]C[5]N)(H)2	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](C[5]C[5]HH)(B[5]C[5]N)(H)2{1|B<4>,3|H<1>}	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|N<3>}	H(C[5]B[5]C[5]H)	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2Br)	108.1820	0.000	1	108.1820	0.000	1	110.7707	5.026	3	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]C)(Br)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<3>}	H(C[5]C[5]2Br)	112.0650	0.025	2	112.0650	0.001	2	110.7707	5.026	3	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2Cl)	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.5813	0.067	3	110.5813	0.005	3	110.5662	0.003	5	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.5435	0.008	2	110.5435	0.000	2	110.5662	0.003	5	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2{1|S<4>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|N<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	108.2350	2.271	2	108.2350	5.158	2	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]2C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.2010	0.033	2	110.2010	0.001	2	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|Br<1>,1|C<4>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	109.3590	2.288	4	109.3590	5.237	4	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.6060	0.000	1	112.8443	8.521	3	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	113.9635	3.087	2	112.8443	8.521	3	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.8240	0.000	2	110.3229	2.766	20	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7200	0.113	10	110.3229	2.766	20	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|P<4>,2|C<4>}	H(C[5]C[5]2H)	110.2040	0.007	2	110.3229	2.766	20	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<4>}	H(C[5]C[5]2H)	108.9305	4.050	2	110.3229	2.766	20	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	109.8355	3.114	4	110.3229	2.766	20	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|N<3>,2|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.4220	0.025	2	110.4220	0.001	2	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]N[3,5]C)(H)2	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9333	0.088	4	110.9333	0.008	4	110.3751	3.429	37	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{2|C<3>,5|C<4>}	H(C[5]C[5]2H)	111.3325	0.688	2	111.3325	0.473	2	111.3325	0.473	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[4,5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2{2|C<3>,2|C<4>}	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.3950	0.011	2	110.3950	0.000	2	110.3950	0.000	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	112.0450	2.311	2	112.0450	5.340	2	111.3478	2.428	4	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.6505	0.023	2	110.6505	0.001	2	111.3478	2.428	4	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2540	1.821	9	111.2540	3.314	9	111.1904	2.987	10	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2{1|O<2>,2|C<3>}	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	110.6180	0.000	1	110.6180	0.000	1	111.1904	2.987	10	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{3|C<4>,4|C<3>}	H(C[5]C[5]2H)	111.8070	3.469	2	111.8070	12.034	2	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6200	0.000	1	110.6200	0.000	1	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8040	0.000	1	110.7020	0.004	5	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	110.6785	0.035	2	110.7020	0.004	5	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.6745	0.006	2	110.7020	0.004	5	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.1550	0.020	2	111.1550	0.000	2	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.4613	0.046	4	110.4613	0.002	4	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.5080	0.069	2	110.5080	0.005	2	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.9431	0.049	8	110.9431	0.002	8	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2{3|C<4>}	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3293	0.026	4	110.3293	0.001	4	110.7777	0.597	28	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(H)2	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.0435	0.005	2	111.0435	0.000	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	111.1265	0.064	4	110.9535	0.052	10	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.9818	0.041	4	110.9535	0.052	10	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.5510	0.018	2	110.9535	0.052	10	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.7197	0.550	12	110.6896	0.232	16	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4340	0.072	2	110.6896	0.232	16	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7640	0.006	2	110.6896	0.232	16	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.5745	0.005	2	110.6488	0.007	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7230	0.008	2	110.6488	0.007	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2390	4.086	2	110.2390	16.693	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.2345	0.031	4	111.2345	0.001	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2H)	112.8397	1.910	6	112.8397	3.648	6	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4665	0.023	2	110.4665	0.001	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.9805	0.025	2	110.8807	0.008	6	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8307	0.052	4	110.8807	0.008	6	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4960	0.033	2	111.2349	2.571	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4035	0.016	2	111.2349	2.571	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.9060	0.008	2	111.2349	2.571	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5700	0.052	4	111.2349	2.571	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0055	0.011	2	111.2349	2.571	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	114.6935	2.220	2	111.2349	2.571	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.9340	0.144	4	110.8727	0.022	6	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.7500	0.044	2	110.8727	0.022	6	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|O<1>,2|N<2>}	H(C[5]C[5]2H)	111.5295	5.561	2	111.5295	30.929	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.4615	0.008	2	110.4615	0.000	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8075	0.018	2	110.8075	0.000	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<2>,2|C<4>}	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6315	0.028	2	110.6315	0.001	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.9245	0.017	4	110.9245	0.000	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9310	0.000	1	110.9310	0.000	1	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1260	0.000	1	111.1260	0.000	1	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.0130	0.047	2	110.5535	0.713	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0940	0.984	2	110.5535	0.713	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.6508	0.084	5	110.6508	0.007	5	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.1855	0.015	2	110.1855	0.000	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8355	0.013	2	110.7066	0.035	5	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6207	0.208	3	110.7066	0.035	5	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>}	H(C[5]C[5]2H)	111.8275	3.194	2	112.1565	5.072	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	112.4855	2.140	2	112.1565	5.072	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>}	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	111.2010	0.000	1	111.2010	0.000	1	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7885	0.105	8	110.7472	0.062	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6922	0.373	6	110.7472	0.062	14	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.1920	0.037	2	111.1920	0.001	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.4630	1.078	2	110.4630	1.161	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.2270	0.026	4	111.1211	0.014	13	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2170	0.000	1	111.1211	0.014	13	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.0561	0.107	8	111.1211	0.014	13	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7972	0.165	13	110.8213	0.029	15	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0900	0.000	1	110.8213	0.029	15	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.8660	0.000	1	110.8213	0.029	15	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7005	0.028	2	110.8588	0.055	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	111.0170	0.255	2	110.8588	0.055	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.6610	0.016	2	110.7069	0.004	8	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.7222	0.063	6	110.7069	0.004	8	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.6340	0.011	2	110.6148	0.001	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,1|O<2>}	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.5955	0.030	2	110.6148	0.001	4	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)2{2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.9750	0.010	2	110.9750	0.000	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5]2H)	110.8807	0.239	10	110.8807	0.057	10	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.7605	0.025	2	110.8748	0.013	6	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9320	0.094	4	110.8748	0.013	6	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.9285	0.084	2	110.9285	0.007	2	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.2151	0.992	12	111.2151	0.984	12	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8978	0.084	4	110.8998	0.008	12	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8645	0.108	4	110.8998	0.008	12	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9373	0.074	4	110.8998	0.008	12	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9957	0.137	3	110.9957	0.019	3	110.9570	0.812	216	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.7020	0.069	2	110.7020	0.005	2	111.3655	1.576	11	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9360	0.033	2	110.9360	0.001	2	111.3655	1.576	11	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	112.2925	1.852	4	112.2925	3.428	4	111.3655	1.576	11	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.8580	0.085	3	110.8580	0.007	3	111.3655	1.576	11	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7695	0.037	2	110.7695	0.001	2	110.7695	0.001	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	112.5390	0.083	2	111.7665	0.798	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.9940	0.020	2	111.7665	0.798	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.2465	0.057	2	110.9813	0.095	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{5|C<4>}	H(C[5]C[5]2H)	110.7160	0.018	2	110.9813	0.095	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.5361	0.116	16	110.5361	0.013	16	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.1640	0.045	2	110.6118	0.125	6	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.8358	0.079	4	110.6118	0.125	6	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5590	0.059	3	110.5074	0.044	7	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2220	0.011	2	110.5074	0.044	7	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,5|C<4>}	H(C[5]C[5]2H)	110.7155	0.012	2	110.5074	0.044	7	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.3270	2.019	2	112.4027	5.697	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	113.4785	2.896	2	112.4027	5.697	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.3205	0.008	2	111.2424	0.013	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3625	0.005	2	111.2424	0.013	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1432	0.066	4	111.2424	0.013	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0585	0.127	4	111.0585	0.016	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.6230	0.632	2	111.6230	0.400	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.1175	0.060	2	111.1175	0.004	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,4|C<4>}	H(C[5]C[5]2H)	110.8870	0.149	6	110.8459	0.022	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[5]2H)	110.7225	0.067	2	110.8459	0.022	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.5465	0.021	2	110.5465	0.000	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5205	0.012	2	110.5205	0.000	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5105	0.016	2	110.4622	0.003	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.4140	0.013	2	110.4622	0.003	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|B<3>,3|C<4>}	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	112.9365	3.573	2	112.9365	12.766	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.3802	0.160	4	110.3802	0.026	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6525	0.019	2	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.4815	0.005	2	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.5886	0.170	8	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Cl<1>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6607	0.026	3	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.5389	0.595	16	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.2790	0.021	2	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.7338	0.916	170	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5145	0.060	4	110.7002	0.721	207	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.6453	0.103	15	110.6711	0.012	22	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.7180	0.000	1	110.6711	0.012	22	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.7278	0.126	6	110.6711	0.012	22	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4055	0.005	2	111.3666	4.547	45	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6260	0.018	2	111.3666	4.547	45	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	111.3150	0.890	4	111.3666	4.547	45	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7375	0.025	2	111.3666	4.547	45	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9120	0.007	2	111.3666	4.547	45	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.6164	2.564	30	111.3666	4.547	45	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7943	0.054	3	111.3666	4.547	45	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6410	0.000	1	111.1091	3.742	19	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.4705	0.045	2	111.1091	3.742	19	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	109.5385	0.036	2	111.1091	3.742	19	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.4581	2.143	14	111.1091	3.742	19	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7900	0.024	2	110.6603	0.012	21	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.7344	0.073	8	110.6603	0.012	21	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6580	0.000	1	110.6603	0.012	21	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.5754	0.078	10	110.6603	0.012	21	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.6055	0.045	4	110.6055	0.002	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5445	0.054	4	110.5240	0.009	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6105	0.019	2	110.5240	0.009	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.3965	0.063	2	110.5240	0.009	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.8010	0.020	2	110.8010	0.000	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.9645	0.043	2	110.7910	0.571	5	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3420	0.057	3	110.7910	0.571	5	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.6608	0.064	4	110.6608	0.004	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.3617	0.421	3	110.3617	0.178	3	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.9287	0.119	6	110.9287	0.014	6	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	111.0055	0.175	19	110.9268	0.059	23	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.4365	0.050	2	110.9268	0.059	23	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.6695	0.069	2	110.9268	0.059	23	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.9378	0.165	8	110.9378	0.027	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9445	0.029	4	110.9445	0.001	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9467	0.047	3	110.9467	0.002	3	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	112.9465	2.866	2	111.4249	2.799	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>}	H(C[5]C[5]2H)	111.3435	2.156	2	111.4249	2.799	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.7048	0.062	4	111.4249	2.799	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8260	0.000	1	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.2392	0.982	12	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.6260	0.006	2	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.8355	0.028	4	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.7037	0.104	9	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6735	0.143	10	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.3945	0.019	2	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6488	0.121	19	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7231	0.094	8	110.6009	0.204	67	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.8250	0.000	1	110.8250	0.000	1	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8205	0.009	2	110.8470	0.011	6	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.8603	0.131	4	110.8470	0.011	6	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5410	0.007	2	110.5410	0.000	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7172	0.053	6	110.7172	0.003	6	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.6315	0.015	2	110.6315	0.000	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2{2|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|O<1>,2|O<2>}	H(C[5]C[5]2H)	113.0307	0.963	4	113.0307	0.927	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7480	0.145	4	110.9372	0.059	14	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9245	0.026	2	110.9372	0.059	14	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6330	0.007	2	110.9372	0.059	14	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1690	0.096	6	110.9372	0.059	14	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.8140	0.058	2	110.8140	0.003	2	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.9690	0.098	3	111.0222	0.018	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	111.1820	0.000	1	111.0222	0.018	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	114.4895	11.365	2	112.8969	22.075	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	113.0577	2.070	4	112.8969	22.075	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9825	0.019	2	112.8969	22.075	8	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.9710	0.050	4	110.9710	0.002	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8385	0.028	2	113.7441	9.881	20	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	114.3625	0.118	2	113.7441	9.881	20	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9030	0.000	1	113.7441	9.881	20	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{2|O<1>,3|C<3>}	H(C[5]C[5]2H)	114.2385	3.363	15	113.7441	9.881	20	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	110.8615	0.030	2	111.3178	2.989	11	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	H(C[5]C[5]2H)	114.0820	3.272	2	111.3178	2.989	11	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.3890	0.000	1	111.3178	2.989	11	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8457	0.189	4	111.3178	2.989	11	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4185	0.028	2	111.3178	2.989	11	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1335	0.067	4	111.1335	0.005	4	110.9639	1.819	626	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.3785	0.039	2	111.3785	0.002	2	111.3785	0.002	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0070	0.028	2	111.0070	0.001	2	111.0070	0.001	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.9055	0.029	2	111.0163	0.186	25	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	111.4567	0.038	4	111.0163	0.186	25	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	110.7542	0.062	4	111.0163	0.186	25	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8507	0.130	7	111.0163	0.186	25	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|S<2>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0996	0.656	8	111.0163	0.186	25	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.8635	0.056	2	110.8355	0.004	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.8075	0.071	2	110.8355	0.004	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.1370	0.020	2	111.1313	0.001	12	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1010	0.031	2	111.1313	0.001	12	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.1374	0.040	8	111.1313	0.001	12	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.8530	0.004	2	110.9553	0.662	22	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.9035	0.032	2	110.9553	0.662	22	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.9375	0.109	4	110.9553	0.662	22	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7415	0.025	2	110.9553	0.662	22	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	111.1935	0.128	2	110.9553	0.662	22	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	112.4740	2.830	2	110.9553	0.662	22	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6169	0.109	8	110.9553	0.662	22	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7784	0.126	7	110.7784	0.016	7	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.9590	0.076	2	111.0470	0.012	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1350	0.011	2	111.0470	0.012	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>}	H(C[5]C[5]2H)	110.7745	0.052	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.7440	0.004	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	111.6148	1.076	26	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	113.9155	12.396	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>}	H(C[5]C[5]2H)	111.1415	0.045	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.2485	0.011	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7590	0.240	5	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|Cl<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<3>}	H(C[5]C[5]2H)	109.2075	5.322	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	110.8833	0.165	8	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	110.7818	0.254	39	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.7883	0.102	4	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	111.0312	0.205	5	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.6230	0.020	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<3>}	H(C[5]C[5]2H)	111.0900	0.034	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>}	H(C[5]C[5]2H)	111.0544	0.083	8	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.0020	0.034	2	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{3|C<3>}	H(C[5]C[5]2H)	110.5705	0.026	4	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6392	0.115	6	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.5402	1.591	6	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8588	0.255	4	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7142	0.168	6	111.0263	1.937	139	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<3>}	H(C[5]C[5]2H)	113.6275	3.204	2	113.6275	10.265	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<2>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0995	0.015	2	111.1378	0.036	19	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1120	0.074	5	111.1378	0.036	19	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0867	0.160	4	111.1378	0.036	19	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.0793	0.211	6	111.1378	0.036	19	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.5180	0.034	2	111.1378	0.036	19	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0703	0.097	3	111.1991	0.010	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.1550	0.033	3	111.1991	0.010	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.2509	0.072	10	111.1991	0.010	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.3355	0.026	2	111.1722	0.017	6	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.0905	0.029	4	111.1722	0.017	6	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.6300	0.000	1	110.6300	0.000	1	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{2|H<1>,2|S<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,2|H<1>}	H(C[5]C[5]2H)	109.7095	5.400	2	109.7095	29.162	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0039	0.840	19	111.0007	0.437	31	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9810	0.096	3	111.0007	0.437	31	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<4>}	H(C[5]C[5]2H)	110.8364	0.086	5	111.0007	0.437	31	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{3|H<1>}	H(C[5]C[5]2H)	111.2055	0.155	4	111.0007	0.437	31	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	111.0470	0.051	2	111.0470	0.003	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	111.0575	0.150	4	111.0575	0.023	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	111.0710	0.000	1	111.0710	0.000	1	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	111.1205	0.021	2	111.1205	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5]2H)	110.8855	0.112	4	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	110.9123	0.118	8	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	110.7555	0.261	35	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.8970	0.257	8	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<2>,1|P<3>}	H(C[5]C[5]2H)	110.8838	0.248	4	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|P<4>}	H(C[5]C[5]2H)	110.9990	0.041	2	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|P<4>}	H(C[5]C[5]2H)	111.0097	0.179	49	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,1|P<4>}	H(C[5]C[5]2H)	110.9887	0.050	4	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.9056	0.090	7	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	111.1258	1.208	44	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.1291	0.162	16	110.9799	0.395	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.7895	0.008	2	110.7120	0.008	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6345	0.021	2	110.7120	0.008	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7930	0.071	2	111.5288	13.619	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.8160	0.013	2	111.5288	13.619	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.9645	0.048	4	111.5288	13.619	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2H)	115.7390	12.793	2	111.5288	13.619	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9845	0.050	6	111.5288	13.619	16	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	113.3125	2.200	2	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8440	0.007	2	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6060	0.102	5	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2H)	110.7210	0.011	2	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	113.2084	3.967	10	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	113.5100	1.592	2	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.8115	0.112	10	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.5830	0.669	2	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.4097	3.387	22	111.6173	7.968	57	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.4650	0.000	1	110.5100	0.002	3	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5325	0.009	2	110.5100	0.002	3	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6880	0.006	2	110.6880	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4860	0.040	4	110.7200	0.029	13	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.8240	0.062	9	110.7200	0.029	13	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.8003	0.075	3	110.7468	0.008	5	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|N<3>}	H(C[5]C[5]2H)	110.6665	0.016	2	110.7468	0.008	5	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6188	0.813	31	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.2429	2.047	57	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.5270	0.004	2	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.3395	0.148	6	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	110.9602	0.322	6	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7782	0.048	4	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<1>,1|P<4>}	H(C[5]C[5]2H)	111.2018	0.620	6	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.6763	0.120	20	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.5275	0.261	8	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0878	3.516	6	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	116.3635	1.036	2	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<4>}	H(C[5]C[5]2H)	110.5475	0.358	8	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.4696	1.553	25	111.0349	2.551	181	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.7290	0.038	2	110.7290	0.001	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	110.6876	0.043	8	110.7421	0.015	10	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.9600	0.008	2	110.7421	0.015	10	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.6710	0.021	2	110.6710	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<3>}	H(C[5]C[5]2H)	110.9720	0.040	2	111.2044	0.026	65	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>}	H(C[5]C[5]2H)	111.0124	0.092	8	111.2044	0.026	65	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|P<4>}	H(C[5]C[5]2H)	110.9795	0.039	2	111.2044	0.026	65	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|P<4>}	H(C[5]C[5]2H)	111.2506	0.137	53	111.2044	0.026	65	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>}	H(C[5]C[5]2H)	110.9307	0.071	4	110.9307	0.005	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>}	H(C[5]C[5]2H)	111.4340	0.020	2	111.4340	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	112.4060	2.444	2	112.4060	5.972	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0815	0.011	2	110.9767	0.015	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>}	H(C[5]C[5]2H)	110.8720	0.033	2	110.9767	0.015	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	110.6085	0.187	12	110.8313	0.126	53	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.7049	0.225	16	110.8313	0.126	53	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Co<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]2H)	111.5650	0.000	1	110.8313	0.126	53	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Cu<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]2H)	111.0891	0.148	19	110.8313	0.126	53	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|W<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|W<7>}	H(C[5]C[5]2H)	111.2640	0.045	2	110.8313	0.126	53	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.2307	0.672	3	110.8313	0.126	53	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|H<1>}	H(C[5]C[5]2H)	110.2450	0.007	2	110.2450	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.1985	0.013	2	111.1985	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<4>,1|O<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.2485	4.726	2	111.2485	22.331	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.3070	0.007	2	111.1460	0.453	6	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|Mo<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>}	H(C[5]C[5]2H)	111.4055	0.052	2	111.1460	0.453	6	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|W<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|W<7>}	H(C[5]C[5]2H)	111.7255	0.214	2	111.1460	0.453	6	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]2H)	109.8840	0.450	2	109.8840	0.202	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Cu<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Cu<2>,1|N<3>}	H(C[5]C[5]2H)	111.2835	0.066	2	111.3857	0.093	20	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.1206	0.235	8	111.3857	0.093	20	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Pd<4>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,1|N<3>}	H(C[5]C[5]2H)	111.6182	0.170	10	111.3857	0.093	20	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Al<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|N<3>}	H(C[5]C[5]2H)	111.0202	0.065	6	111.5301	2.073	14	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	110.8725	0.126	4	111.5301	2.073	14	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]2H)	114.4940	2.447	2	111.5301	2.073	14	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Cr<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|N<3>}	H(C[5]C[5]2H)	111.4110	0.105	2	111.5301	2.073	14	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6910	0.024	2	110.6910	0.001	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	112.0558	1.409	6	111.7941	5.199	18	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	113.2965	8.247	2	111.7941	5.199	18	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8830	0.000	1	111.7941	5.199	18	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.1010	0.010	2	111.7941	5.199	18	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.0393	0.034	3	111.7941	5.199	18	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.7905	0.818	4	111.7941	5.199	18	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.3262	1.039	9	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.4031	1.303	20	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	110.8800	0.000	1	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	110.4920	0.021	2	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9156	0.284	99	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.9233	5.176	15	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Co<6>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|O<1>}	H(C[5]C[5]2H)	111.0310	0.017	2	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.4335	0.336	4	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9842	0.582	12	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,1|O<1>}	H(C[5]C[5]2H)	110.6525	0.146	2	111.0739	2.708	166	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7358	0.123	27	110.7358	0.015	27	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.5735	0.019	2	110.5735	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|B<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<6>,1|O<1>}	H(C[5]C[5]2H)	110.8900	0.077	4	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8144	0.171	19	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	111.3317	0.053	4	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9375	0.649	303	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.2314	1.156	34	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|O<2>}	H(C[5]C[5]2H)	111.2960	0.421	3	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<5>,1|O<2>}	H(C[5]C[5]2H)	111.2908	0.338	4	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Rh<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<5>,1|O<2>}	H(C[5]C[5]2H)	111.1871	0.218	10	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	112.8817	2.029	6	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.3283	1.269	26	111.0243	0.638	413	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6730	0.342	4	110.6730	0.117	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6210	0.000	1	110.6210	0.000	1	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7890	0.004	2	110.7890	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	113.2495	0.066	2	111.9364	1.438	5	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	111.0610	0.008	3	111.9364	1.438	5	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,1|C<3>,1|C<4>}	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	112.3180	0.721	2	111.6453	0.777	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9725	0.011	2	111.6453	0.777	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	113.0298	1.382	4	113.0298	1.910	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.7035	2.672	2	112.3650	2.214	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	113.4860	0.051	2	112.3650	2.214	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.6725	1.063	2	112.3650	2.214	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	112.5980	1.665	2	112.3650	2.214	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.7160	0.098	2	110.8029	0.010	17	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.7849	0.101	9	110.8029	0.010	17	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8440	0.094	4	110.8029	0.010	17	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.8890	0.014	2	110.8029	0.010	17	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|H<1>}	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|N<2>}	H(C[5]C[5]2H)	110.9585	0.005	2	110.9585	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]2H)	110.7005	0.006	2	110.7005	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	111.2450	0.000	1	111.2450	0.000	1	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	110.8150	0.004	2	110.8150	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Ca<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,1|H<1>}	H(C[5]C[5]2H)	110.3540	0.052	2	110.6781	5.459	15	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Li<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|H<1>}	H(C[5]C[5]2H)	109.7000	4.777	4	110.6781	5.459	15	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Sr<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,1|H<1>}	H(C[5]C[5]2H)	111.1965	0.035	2	110.6781	5.459	15	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>}	H(C[5]C[5]2H)	111.1814	0.518	7	110.6781	5.459	15	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Ir)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Ir)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>}	H(C[5]C[5]2H)	110.7882	0.053	6	110.7882	0.003	6	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6532	0.236	9	110.6532	0.056	9	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2H)	113.9968	3.997	6	113.1270	14.005	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2H)	110.5175	0.030	2	113.1270	14.005	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	111.0755	1.129	24	111.0755	1.274	24	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{1|O<1>}	H(C[5]C[5]2H)	110.6650	0.000	1	110.6650	0.000	1	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	110.9743	0.258	3	111.1373	0.047	7	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<2>}	H(C[5]C[5]2H)	111.2595	0.056	4	111.1373	0.047	7	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	111.0060	0.022	4	111.0613	0.027	14	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7815	0.011	2	111.0613	0.027	14	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.1589	0.121	8	111.0613	0.027	14	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.1810	0.057	3	111.1810	0.003	3	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.9310	0.000	1	113.3990	5.092	3	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	114.6330	1.024	2	113.3990	5.092	3	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	111.8743	1.565	4	111.8743	2.449	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9749	0.231	8	110.9749	0.053	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Re<6>}	H(C[5]C[5]2H)	110.3990	0.000	1	110.3990	0.000	1	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>}	H(C[5]C[5]2H)	110.7770	0.006	2	110.7770	0.000	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ru<9>}	H(C[5]C[5]2H)	110.7145	0.103	2	110.7145	0.011	2	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>}	H(C[5]C[5]2H)	110.6860	0.021	2	110.6863	0.000	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<9>}	H(C[5]C[5]2H)	110.6865	0.023	2	110.6863	0.000	4	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	110.2580	0.000	1	110.7920	0.217	3	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>}	H(C[5]C[5]2H)	111.0590	0.082	2	110.7920	0.217	3	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]Se[5]C)(H)2	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]Se[5]C)(H)2{2|H<1>}	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	110.2348	0.065	8	110.2348	0.004	8	111.0730	1.607	1755	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5340	0.007	2	110.5340	0.000	2	110.4510	0.011	4	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3680	0.074	2	110.3680	0.005	2	110.4510	0.011	4	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.0565	0.059	2	111.0565	0.003	2	111.0565	0.003	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2{1|C<4>,3|C<3>}	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]2H)	109.8639	0.284	9	109.8639	0.081	9	109.8639	0.081	9	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2{4|C<4>}	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.3920	0.017	2	110.3920	0.000	2	110.3920	0.000	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2{2|C<3>,2|C<4>}	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.5760	0.008	2	110.5760	0.000	2	110.5760	0.000	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2688	0.097	5	111.2688	0.009	5	111.1762	0.017	10	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0800	0.020	2	111.0800	0.000	2	111.1762	0.017	10	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	111.1605	0.013	2	111.0860	0.017	3	111.1762	0.017	10	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,3|C<3>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,2|N<3>,5|C<3>}	H(C[5]C[5]N[5]H)	110.9370	0.000	1	111.0860	0.017	3	111.1762	0.017	10	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]N[5]H)	110.8615	0.016	2	110.8615	0.000	2	110.8615	0.000	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7675	0.019	2	110.7675	0.000	2	110.7675	0.000	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5]N[5]H)	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2680	0.011	2	111.2680	0.000	2	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.5263	0.031	4	110.5263	0.001	4	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	112.0565	0.193	2	112.0565	0.037	2	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.5273	0.503	3	110.7374	0.393	5	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0525	0.856	2	110.7374	0.393	5	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7647	0.063	6	110.8020	0.008	8	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9140	0.007	2	110.8020	0.008	8	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2415	0.035	2	112.6148	11.431	4	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	113.9880	5.172	2	112.6148	11.431	4	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	110.7535	0.009	2	110.9000	0.029	4	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0465	0.009	2	110.9000	0.029	4	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6185	0.238	2	110.6185	0.057	2	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	111.4128	3.043	6	111.4128	9.262	6	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5]N[5]H)	110.2630	0.023	3	110.3864	0.103	7	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.1165	0.011	2	110.3864	0.103	7	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8415	0.091	2	110.3864	0.103	7	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9345	0.012	2	110.9345	0.000	2	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3227	0.025	4	111.3227	0.001	4	111.0499	2.075	50	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]N[5]H)	111.1805	0.018	2	111.1885	0.007	6	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1925	0.108	4	111.1885	0.007	6	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.3185	0.016	4	111.3185	0.000	4	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3445	0.006	2	111.0188	0.142	4	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6930	0.014	2	111.0188	0.142	4	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	111.2742	0.081	4	111.3453	0.013	12	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	111.3809	0.115	8	111.3453	0.013	12	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1605	0.039	2	111.1605	0.002	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	115.6550	0.744	2	115.6550	0.553	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5]N[5]H)	111.3005	0.006	2	111.3005	0.000	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7775	0.046	2	110.7775	0.002	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|N<3>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2{1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1060	0.000	1	111.1060	0.000	1	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8540	0.040	4	110.8540	0.002	4	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[5]C[5]N[5]H)	111.5485	0.026	2	111.5485	0.001	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2320	0.031	2	111.2320	0.001	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.1784	0.120	7	111.1784	0.014	7	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9774	0.163	5	110.9774	0.027	5	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>,2|S<2>}	H(C[5]C[5]N[5]H)	110.8000	0.000	1	110.8000	0.000	1	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8690	0.065	2	110.8690	0.004	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	111.1825	0.033	2	110.9145	0.096	4	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6465	0.030	2	110.9145	0.096	4	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1355	0.039	2	111.0273	0.012	6	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9265	0.076	2	111.0273	0.012	6	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0200	0.086	2	111.0273	0.012	6	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|N<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[5]C[5]N[5]H)	111.0890	0.024	2	111.0890	0.001	2	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5]N[5]H)	111.2735	0.057	4	111.2735	0.003	4	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9660	0.000	1	110.9660	0.000	1	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2300	0.000	1	111.2300	0.000	1	111.2560	0.586	76	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.4785	1.119	2	111.4785	1.253	2	111.4785	1.253	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9505	0.023	2	110.9505	0.001	2	110.9505	0.001	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2{4|C<3>}	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2{1|C<4>,6|C<3>}	H(C[5]C[5]N[5]H)	110.6745	0.032	4	110.6745	0.001	4	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.7500	0.213	4	111.2467	2.282	6	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5]N[5]H)	112.2400	2.884	2	111.2467	2.282	6	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.0570	0.011	2	111.0570	0.000	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2{6|C<4>}	H(C[5]C[5]N[5]H)	110.7085	0.059	2	110.7085	0.003	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1170	0.000	1	111.1170	0.000	1	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.2670	0.000	1	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4225	0.036	2	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7502	0.043	4	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.0678	0.079	4	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.1290	0.016	2	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	112.5493	1.838	7	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1280	0.026	4	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.4113	1.071	3	111.4901	1.315	27	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2510	0.010	2	111.2832	0.001	4	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3155	0.005	2	111.2832	0.001	4	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	112.4320	0.974	2	111.3907	0.850	6	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8700	0.128	4	111.3907	0.850	6	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9655	0.049	2	110.9655	0.002	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	113.1500	0.437	2	113.1500	0.191	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3450	0.013	2	111.3450	0.000	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|H<1>,1|S<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5770	0.004	2	110.5770	0.000	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.2005	0.021	2	110.2005	0.000	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8580	0.083	4	110.8389	0.015	12	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6860	0.024	2	110.8389	0.015	12	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8517	0.097	4	110.8389	0.015	12	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.9280	0.215	2	110.8389	0.015	12	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3480	0.014	2	111.3480	0.000	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0550	0.014	2	111.0550	0.000	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	H(C[5]C[5]N[5]H)	111.1023	0.032	3	111.1023	0.001	3	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1710	0.045	2	111.1710	0.002	2	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]C[5]N[5]H)	111.1282	0.081	5	111.2708	0.537	13	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9055	0.016	2	111.2708	0.537	13	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9765	0.076	2	111.2708	0.537	13	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2325	1.558	2	111.2708	0.537	13	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	112.3250	1.103	2	111.2708	0.537	13	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8065	3.211	2	110.7760	5.158	3	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7150	0.000	1	110.7760	5.158	3	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0645	0.030	2	111.2113	0.030	4	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	111.3580	0.052	2	111.2113	0.030	4	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2497	0.159	6	111.4975	1.334	8	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	112.2410	2.782	2	111.4975	1.334	8	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	H(C[5]C[5]N[5]H)	111.4775	0.400	2	111.3024	0.038	8	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3055	0.006	2	111.3024	0.038	8	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1585	0.035	2	111.3024	0.038	8	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2680	0.016	2	111.3024	0.038	8	111.2406	0.799	119	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H){1|C<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.4570	4.544	2	110.4570	20.647	2	110.4570	20.647	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0600	0.277	4	111.0600	0.077	4	111.0600	0.077	4	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.5075	0.318	6	111.5075	0.101	6	111.3491	0.140	11	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.3260	0.031	4	111.1590	0.140	5	111.3491	0.140	11	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.4910	0.000	1	111.1590	0.140	5	111.3491	0.140	11	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	111.1855	0.018	2	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9718	0.062	8	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0737	0.059	7	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0025	0.216	4	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1636	0.113	7	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	113.0860	1.553	2	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0427	0.233	12	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2095	0.009	2	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1614	0.066	8	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2530	0.132	3	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9675	0.005	2	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9795	0.111	2	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1518	0.315	4	111.1503	0.191	63	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Al)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Al)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|N<3>}	H(C[5]C[5]N[5]H)	110.6450	0.223	7	110.6450	0.050	7	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8795	0.039	2	110.8795	0.002	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|Br<1>,1|H<1>,1|O<2>}	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.2680	0.031	2	111.2680	0.001	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.3530	0.365	2	111.5503	1.960	10	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6670	2.526	2	111.5503	1.960	10	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	113.5250	0.945	2	111.5503	1.960	10	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1033	0.020	4	111.5503	1.960	10	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9250	0.004	2	110.8678	0.082	13	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9580	0.803	2	110.8678	0.082	13	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.8668	0.238	5	110.8678	0.082	13	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]H)	110.9235	0.009	2	110.8678	0.082	13	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6670	0.013	2	110.8678	0.082	13	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1520	0.016	2	111.1520	0.000	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|B<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	112.9685	1.825	4	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0555	0.009	2	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.3060	0.072	2	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0876	0.145	8	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	111.0665	0.954	15	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	110.8869	0.164	7	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0245	0.485	53	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3072	0.982	494	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2594	1.029	109	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1804	1.258	45	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	104.4090	4.598	2	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	111.8700	2.138	2	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	110.9370	0.058	3	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1681	0.066	12	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1591	0.640	280	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]N[5]H)	111.3902	0.121	4	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.2506	0.749	29	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.2209	0.761	10	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.5685	1.626	4	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|U<12>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0216	0.203	13	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	111.1730	0.617	9	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	109.2240	3.243	2	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2527	0.144	7	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1671	0.934	562	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1015	0.838	167	111.1941	0.873	1845	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2000	0.000	1	111.2000	0.000	1	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	109.4700	0.000	1	111.0301	0.349	9	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2365	0.035	4	111.0301	0.349	9	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3175	0.036	2	111.0301	0.349	9	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1100	0.040	2	111.0301	0.349	9	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0080	0.017	2	111.0080	0.000	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0770	0.045	2	111.0770	0.002	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|I<1>}	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2080	0.010	2	111.2080	0.000	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9745	0.063	4	110.9745	0.004	4	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1270	0.049	2	111.1270	0.002	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0080	0.366	8	111.0080	0.134	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{5|C<3>}	H(C[5]C[5]N[5]H)	114.3360	0.334	2	111.6170	1.236	15	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.1987	0.106	13	111.6170	1.236	15	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1870	0.000	1	111.1870	0.000	1	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.9545	0.026	2	110.9167	0.005	3	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8410	0.000	1	110.9167	0.005	3	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Cr)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|N<3>}	H(C[5]C[5]N[5]H)	110.8925	0.070	2	110.8925	0.005	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.5465	0.224	19	110.5465	0.050	19	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|F<1>,1|O<1>}	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	112.1605	0.904	2	112.1605	0.818	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3340	0.007	2	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	111.7609	1.506	8	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7229	0.560	16	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7561	0.459	7	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Cr<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3105	0.036	2	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	110.8792	1.304	26	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]N[5]H)	112.5330	1.689	2	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	110.4732	0.961	59	110.7547	1.171	122	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0705	0.008	2	111.0705	0.000	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.3430	0.013	2	111.3430	0.000	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Mo)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Mo)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6235	0.050	2	110.6235	0.003	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.4355	0.039	2	111.4224	0.977	45	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	111.3552	1.450	17	111.4224	0.977	45	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	111.6522	0.140	6	111.4224	0.977	45	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5592	0.681	16	111.4224	0.977	45	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8092	0.144	4	111.4224	0.977	45	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8007	0.086	4	110.4956	0.151	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.1905	0.312	4	110.4956	0.151	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>}	H(C[5]C[5]N[5]H)	111.6485	1.013	2	111.4243	0.664	3	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9760	0.000	1	111.4243	0.664	3	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]N[5]H)	110.5515	0.011	2	110.9553	0.776	141	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9612	0.886	139	110.9553	0.776	141	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|O<2>}	H(C[5]C[5]N[5]H)	110.9853	0.181	4	111.0276	0.041	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<5>,1|O<2>}	H(C[5]C[5]N[5]H)	111.0700	0.239	4	111.0276	0.041	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]N[5]H)	110.8260	0.037	3	110.6350	0.022	15	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<5>,1|O<2>}	H(C[5]C[5]N[5]H)	110.5872	0.121	12	110.6350	0.022	15	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1705	0.006	2	111.1705	0.000	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.4253	0.074	4	111.3830	0.007	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2690	0.017	2	111.3830	0.007	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]N[5]H)	111.4125	0.004	2	111.3830	0.007	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.0593	0.114	3	111.1601	0.021	23	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2173	0.051	4	111.1601	0.021	23	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2200	0.017	2	111.1601	0.021	23	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2070	0.119	4	111.1601	0.021	23	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1367	0.188	10	111.1601	0.021	23	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]N[5]H)	111.3236	0.124	7	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2000	0.000	1	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<3>}	H(C[5]C[5]N[5]H)	110.8007	0.140	6	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1443	0.281	50	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.9905	0.243	32	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1030	0.077	3	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]N[5]H)	110.9545	0.045	2	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0291	0.216	23	111.0731	0.068	124	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.3063	0.117	4	110.9024	0.193	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.4985	0.039	4	110.9024	0.193	8	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]N[5]H)	110.8855	0.057	2	110.8855	0.003	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9550	0.038	2	110.9550	0.001	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1595	0.076	2	110.9060	0.041	6	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7793	0.052	4	110.9060	0.041	6	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<10>,1|N<3>}	H(C[5]C[5]N[5]H)	110.6564	0.065	8	110.8636	0.330	25	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<11>,1|N<3>}	H(C[5]C[5]N[5]H)	111.3088	0.794	9	110.8636	0.330	25	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<9>,1|N<3>}	H(C[5]C[5]N[5]H)	110.5699	0.071	8	110.8636	0.330	25	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|W<7>}	H(C[5]C[5]N[5]H)	110.7540	0.017	2	110.4410	0.647	12	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|W<7>}	H(C[5]C[5]N[5]H)	110.1650	1.203	4	110.4410	0.647	12	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|W<7>}	H(C[5]C[5]N[5]H)	110.5190	0.833	2	110.4410	0.647	12	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5215	0.717	4	110.4410	0.647	12	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	110.7050	0.000	1	110.7050	0.000	1	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.3450	0.021	2	111.0803	0.210	3	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5510	0.000	1	111.0803	0.210	3	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]HH)2(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	112.7550	3.998	12	112.7550	15.984	12	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	110.2415	0.026	2	110.2415	0.001	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2{2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2{1|P<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.1905	0.185	2	110.1905	0.034	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2{1|C<4>,1|H<1>,2|O<1>}	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2{1|C<4>,2|O<1>}	H(C[5]C[5]N[5]H)	109.6810	0.006	2	109.6810	0.000	2	111.1416	0.873	2598	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0835	0.005	2	111.0835	0.000	2	111.0835	0.000	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1950	0.247	2	111.1950	0.061	2	111.1950	0.061	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]N[5]H)	111.1320	0.252	2	111.1320	0.063	2	111.1320	0.063	2	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2{1|Cl<1>,2|C<4>,3|N<3>}	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.6513	0.335	4	109.6513	0.112	4	110.3136	0.116	27	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	110.5707	0.047	12	110.4287	0.028	23	110.3136	0.116	27	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|N<2>,2|C<4>,2|N<3>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|N<2>,2|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.2739	0.089	11	110.4287	0.028	23	110.3136	0.116	27	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|B<4>,1|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.5595	3.332	4	111.5595	11.100	4	110.4969	6.117	8	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2{1|N<3>,3|C<4>}	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.4342	0.402	4	109.4342	0.161	4	110.4969	6.117	8	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]MgH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Mg<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]MgH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9765	0.028	2	110.9765	0.001	2	110.5433	0.038	16	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5418	0.052	4	110.5418	0.003	4	110.5433	0.038	16	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4927	0.110	6	110.4927	0.012	6	110.5433	0.038	16	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4040	0.102	4	110.4040	0.010	4	110.5433	0.038	16	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]N[5]O)	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.7925	0.262	8	110.7999	0.228	228	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7857	0.337	106	110.7999	0.228	228	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8154	0.782	61	110.7999	0.228	228	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8114	0.225	53	110.7999	0.228	228	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]O[5]H)	112.1513	2.063	23	112.1513	4.258	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<10>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4806	0.296	8	110.4814	0.146	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3465	0.169	4	110.4814	0.146	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<13>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5613	0.262	22	110.4814	0.146	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5870	0.240	8	110.4814	0.146	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3529	0.589	16	110.4814	0.146	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Be)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Be)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Be<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8175	0.048	4	110.8175	0.002	4	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,1|H<1>}	H(C[5]C[5]O[5]H)	110.3980	0.075	2	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6800	0.095	4	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<12>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5175	0.296	15	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<14>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5897	0.090	4	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<4>,2|H<1>}	H(C[5]C[5]O[5]H)	109.9669	0.683	7	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5345	0.199	35	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5628	0.370	166	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5107	0.272	66	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4006	0.439	84	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4619	0.345	47	110.4991	0.135	430	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cd)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cd)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cd<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6460	0.209	8	110.6460	0.044	8	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ce)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ce)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ce<12>,2|H<1>}	H(C[5]C[5]O[5]H)	109.9955	0.008	2	109.9955	0.000	2	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7652	0.226	4	110.7440	0.269	120	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5373	0.271	22	110.7440	0.269	120	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<5>,2|H<1>}	H(C[5]C[5]O[5]H)	111.1186	0.627	18	110.7440	0.269	120	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7141	0.517	76	110.7440	0.269	120	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<10>,2|H<1>}	H(C[5]C[5]O[5]H)	117.3263	5.234	8	111.0633	3.401	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<4>,2|H<1>}	H(C[5]C[5]O[5]H)	111.6338	1.616	12	111.0633	3.401	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6230	0.285	52	111.0633	3.401	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8484	1.182	130	111.0633	3.401	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6989	0.190	13	111.0633	3.401	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7160	0.131	4	111.0633	3.401	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7294	0.356	9	110.5750	0.205	47	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6504	0.346	23	110.5750	0.205	47	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1945	0.776	8	110.5750	0.205	47	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5637	0.114	7	110.5750	0.205	47	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5367	0.057	3	110.5250	0.005	7	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<14>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5162	0.091	4	110.5250	0.005	7	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Er)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Er)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Er<14>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7883	0.339	3	110.7883	0.115	3	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6548	0.136	5	110.5326	0.217	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<12>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3313	0.609	15	110.5326	0.217	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<13>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6940	0.044	2	110.5326	0.217	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6753	0.258	12	110.5326	0.217	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5276	0.554	14	110.5326	0.217	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5768	0.390	10	110.5326	0.217	58	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.5368	0.177	6	110.6677	0.180	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.6925	0.019	2	110.6677	0.180	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6064	0.176	8	110.6677	0.180	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6684	0.252	77	110.6677	0.180	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5907	0.317	49	110.6677	0.180	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7357	0.629	73	110.6677	0.180	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6635	0.132	4	110.6677	0.180	219	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8060	0.212	39	110.8846	0.164	43	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<5>,2|H<1>}	H(C[5]C[5]O[5]H)	111.6505	0.933	4	110.8846	0.164	43	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Hf)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Hf)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Hf<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9279	0.366	8	110.9279	0.134	8	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7010	0.098	6	111.9892	5.815	22	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<5>,2|H<1>}	H(C[5]C[5]O[5]H)	112.4723	2.688	16	111.9892	5.815	22	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<5>,2|H<1>}	H(C[5]C[5]O[5]H)	111.0770	0.452	4	110.7040	0.269	8	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3310	0.227	4	110.7040	0.269	8	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|H<1>}	H(C[5]C[5]O[5]H)	113.0065	3.004	4	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<1>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6295	0.065	4	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4942	0.345	224	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5197	0.691	1757	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5114	0.314	200	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5486	0.382	49	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4260	2.245	20	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5588	0.136	19	110.5211	0.457	2277	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<14>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5180	0.106	3	110.3874	0.069	13	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4377	0.430	4	110.3874	0.069	13	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2885	0.163	6	110.3874	0.069	13	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	111.0690	0.338	4	110.7110	0.673	890	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>}	H(C[5]C[5]O[5]H)	110.4255	0.023	2	110.7110	0.673	890	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,2|H<1>}	H(C[5]C[5]O[5]H)	111.1594	1.426	136	110.7110	0.673	890	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5523	0.278	185	110.7110	0.673	890	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6581	0.734	464	110.7110	0.673	890	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6853	0.564	63	110.7110	0.673	890	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5359	0.386	36	110.7110	0.673	890	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8530	0.017	2	110.5873	0.086	44	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6425	0.257	22	110.5873	0.086	44	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3822	0.361	12	110.5873	0.086	44	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6769	0.125	8	110.5873	0.086	44	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6648	0.202	13	110.5412	0.061	21	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3405	0.177	8	110.5412	0.061	21	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<15>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5725	0.036	2	110.4339	0.186	10	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<19>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7970	0.000	1	110.4339	0.186	10	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3424	0.490	7	110.4339	0.186	10	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8795	0.086	2	110.6580	0.185	88	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7065	0.139	12	110.6580	0.185	88	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6390	0.243	4	110.6580	0.185	88	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6863	1.186	10	110.6580	0.185	88	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6323	0.213	56	110.6580	0.185	88	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7108	0.348	4	110.6580	0.185	88	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Np)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Np)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Np<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7408	0.197	17	110.7408	0.039	17	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Pd)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Pd)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pd<4>,2|H<1>}	H(C[5]C[5]O[5]H)	112.1031	2.193	8	112.1031	4.810	8	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Pt)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Pt)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5460	0.346	8	110.5460	0.120	8	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8930	0.182	4	110.4889	0.102	45	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4495	0.303	41	110.4889	0.102	45	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7152	0.314	4	110.6381	0.050	29	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6257	0.212	25	110.6381	0.050	29	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7595	0.334	8	110.7478	0.068	15	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7344	0.167	7	110.7478	0.068	15	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5757	0.321	19	110.5419	0.094	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3812	0.171	4	110.5419	0.094	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<10>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6012	0.470	4	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7856	0.145	8	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<12>,2|H<1>}	H(C[5]C[5]O[5]H)	111.1093	0.911	17	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6227	0.092	8	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6706	0.183	33	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3843	0.402	12	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7176	0.240	19	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6465	0.080	4	110.7190	0.214	105	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]O[5]H)	111.1597	0.170	7	111.1597	0.029	7	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3430	0.321	7	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<12>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5811	1.242	35	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<13>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8223	0.397	35	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<14>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1765	0.371	4	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<15>,2|H<1>}	H(C[5]C[5]O[5]H)	111.7010	1.798	4	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<16>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6270	0.085	4	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<19>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8023	0.125	3	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9775	1.462	18	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6499	0.268	18	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5907	0.304	40	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5684	0.243	42	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4430	0.447	40	110.6338	0.527	250	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5139	0.147	7	110.7992	0.383	27	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8991	0.691	20	110.7992	0.383	27	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,1|H<1>}	H(C[5]C[5]O[5]H)	110.8955	0.042	2	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4682	0.242	4	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<12>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8030	0.490	12	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4031	0.459	22	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6124	0.258	29	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5130	0.181	29	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5716	0.273	34	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4871	0.361	35	110.5466	0.113	167	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ta)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ta)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ta<14>,2|H<1>}	H(C[5]C[5]O[5]H)	111.1023	0.049	3	111.1023	0.002	3	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Tc)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Tc)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tc<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6853	0.315	11	110.6853	0.099	11	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<10>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6896	0.067	9	110.9999	1.785	99	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<11>,2|H<1>}	H(C[5]C[5]O[5]H)	113.2583	1.481	4	110.9999	1.785	99	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<12>,2|H<1>}	H(C[5]C[5]O[5]H)	111.3893	2.063	32	110.9999	1.785	99	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6874	0.231	28	110.9999	1.785	99	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4952	0.281	15	110.9999	1.785	99	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6801	0.228	7	110.9999	1.785	99	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.9657	0.222	4	110.9999	1.785	99	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Tm)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Tm)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tm<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3113	0.169	4	110.3113	0.029	4	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<11>,2|H<1>}	H(C[5]C[5]O[5]H)	111.0427	0.402	4	110.4763	0.136	60	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<13>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4868	0.241	28	110.4763	0.136	60	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<14>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3225	0.430	22	110.4763	0.136	60	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6135	0.192	6	110.4763	0.136	60	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{1|C<5>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<5>,1|H<1>,1|V<7>}	H(C[5]C[5]O[5]H)	111.0030	0.160	2	110.7095	0.586	97	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<11>,2|H<1>}	H(C[5]C[5]O[5]H)	113.1325	1.639	4	110.7095	0.586	97	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8281	0.410	8	110.7095	0.586	97	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6844	0.111	8	110.7095	0.586	97	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3881	0.546	47	110.7095	0.586	97	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8824	0.411	24	110.7095	0.586	97	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6923	0.032	4	110.7095	0.586	97	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7860	0.081	4	110.6151	0.066	37	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5166	0.242	26	110.6151	0.066	37	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8833	0.059	7	110.6151	0.066	37	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<12>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2040	0.250	7	110.2975	0.118	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<13>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6780	0.028	2	110.2975	0.118	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<15>,2|H<1>}	H(C[5]C[5]O[5]H)	109.8367	0.146	4	110.2975	0.118	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<16>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7018	0.094	4	110.2975	0.118	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3173	0.235	6	110.2975	0.118	23	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<12>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6475	0.239	8	110.5271	1.078	51	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<14>,2|H<1>}	H(C[5]C[5]O[5]H)	110.2159	0.495	17	110.5271	1.078	51	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<15>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3817	0.393	4	110.5271	1.078	51	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7228	1.729	16	110.5271	1.078	51	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8232	0.510	6	110.5271	1.078	51	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<2>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7023	0.161	17	110.6514	0.055	107	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<3>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6155	0.109	8	110.6514	0.055	107	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6443	0.254	82	110.6514	0.055	107	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<10>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5505	0.378	8	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<11>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7943	0.298	3	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<12>,2|H<1>}	H(C[5]C[5]O[5]H)	113.5628	3.486	10	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<13>,2|H<1>}	H(C[5]C[5]O[5]H)	110.8989	1.179	31	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<6>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4672	0.333	45	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3287	1.610	12	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<8>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6173	0.362	22	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<9>,2|H<1>}	H(C[5]C[5]O[5]H)	110.7860	0.094	11	110.8273	1.942	142	110.6369	0.628	6185	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(S[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[3,5]HH)(S[5]C[3,5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Au)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Au)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Au<2>,2|H<1>}	H(C[5]C[5]S[5]H)	110.5030	0.600	3	110.5030	0.360	3	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]B)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]B)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]S[5]H)	113.3230	0.896	4	113.3230	0.802	4	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Ir)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Ir)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.5300	0.280	30	110.5300	0.078	30	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Mo)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Mo)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.5907	0.029	3	110.5907	0.001	3	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]S[5]H)	109.6200	0.007	2	110.1418	0.126	8	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]H)	110.5395	0.009	2	110.1418	0.126	8	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	110.2037	0.051	4	110.1418	0.126	8	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Pd)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Pd)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pd<4>,2|H<1>}	H(C[5]C[5]S[5]H)	110.5512	0.061	4	110.5512	0.004	4	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]S[5]H)	110.4366	0.297	11	110.4662	0.067	18	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.5127	0.200	7	110.4662	0.067	18	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Re)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Re)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.5093	0.312	7	110.5093	0.097	7	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Ru)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Ru)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.4133	0.264	4	110.4133	0.070	4	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Te)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Te)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Te<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.6200	0.100	8	110.6200	0.010	8	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Zn)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Zn)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Zn<4>,2|H<1>}	H(C[5]C[5]S[5]H)	110.5030	0.056	4	110.5030	0.003	4	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(H)2	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(H)2{1|Ru<6>,2|C<4>}	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2{2|Ru<6>}	H(C[5]C[5]S[5]H)	108.5565	0.039	2	108.5565	0.002	2	110.5632	0.517	95	110.8460	0.966	11944	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]2Cl)	108.2880	0.000	1	108.2880	0.000	1	108.4590	0.058	2	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H){1|O<1>}	H(C[5]C[5]2Cl)	108.6300	0.000	1	108.6300	0.000	1	108.4590	0.058	2	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.9605	0.066	2	110.9605	0.004	2	111.3641	1.833	14	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	111.8572	1.430	6	111.8572	2.044	6	111.3641	1.833	14	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.2883	0.081	4	111.2883	0.007	4	111.3641	1.833	14	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4405	3.174	2	110.4405	10.076	2	111.3641	1.833	14	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1465	0.019	2	111.1465	0.000	2	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.5125	0.034	4	110.5125	0.001	4	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.2630	3.700	2	111.2630	13.687	2	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.9035	0.069	2	110.9035	0.005	2	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.6795	1.301	4	111.3710	1.668	6	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7540	1.457	2	111.3710	1.668	6	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0640	0.011	2	110.9543	0.016	8	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9177	0.127	6	110.9543	0.016	8	111.0223	1.049	24	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.0990	0.006	2	111.0990	0.000	2	111.2149	0.008	8	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.2840	0.017	2	111.2840	0.000	2	111.2149	0.008	8	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){1|C<3>,1|P<4>}	H(C[5]C[5]2H)	111.2382	0.077	4	111.2382	0.006	4	111.2149	0.008	8	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	H(C[5]C[5]2H)	111.2380	0.074	2	111.2380	0.005	2	111.2380	0.005	2	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){2|C<4>}	H(C[5]C[5]2H)	111.2790	0.025	2	111.2135	0.010	4	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.1480	0.106	2	111.2135	0.010	4	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6325	0.047	2	110.6325	0.002	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){2|H<1>}	H(C[5]C[5]2H)	111.2650	0.092	4	111.2650	0.009	4	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1025	0.005	2	111.1025	0.000	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9105	0.016	4	110.9105	0.000	4	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.7545	0.008	2	111.0005	0.030	8	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.1102	0.113	4	111.0005	0.030	8	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.0270	0.018	2	111.0005	0.030	8	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8015	0.029	2	110.8015	0.001	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8155	0.054	4	110.8155	0.003	4	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8468	0.241	5	110.8468	0.058	5	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.1095	0.008	2	111.1095	0.000	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9290	0.048	2	110.9290	0.002	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8708	0.073	4	110.8708	0.005	4	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9977	0.064	9	110.9977	0.004	9	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.0435	0.033	2	111.0435	0.001	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	H(C[5]C[5]2H)	110.8495	0.012	2	110.7143	0.011	7	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	H(C[5]C[5]2H)	110.6602	0.064	5	110.7143	0.011	7	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8285	0.049	2	110.8285	0.002	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.1175	0.046	2	111.1175	0.002	2	110.9484	0.037	65	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0240	0.017	2	111.0240	0.000	2	110.8940	0.011	6	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H){1|O<1>}	H(C[5]C[5]2H)	110.8145	0.013	2	110.8145	0.000	2	110.8940	0.011	6	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8435	0.069	2	110.8435	0.005	2	110.8940	0.011	6	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H){1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	111.0130	0.015	4	111.0130	0.000	4	110.7652	0.148	6	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H){2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2695	0.040	2	110.2695	0.002	2	110.7652	0.148	6	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.3280	0.000	1	111.3280	0.000	1	110.8835	1.233	17	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7074	1.437	10	110.7074	2.065	10	110.8835	1.233	17	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.8955	0.057	2	111.1028	0.070	6	110.8835	1.233	17	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2065	0.269	4	111.1028	0.070	6	110.8835	1.233	17	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3360	1.231	4	111.1047	1.151	6	110.6560	5.628	10	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6420	0.750	2	111.1047	1.151	6	110.6560	5.628	10	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2{1|Ru<9>,1|C<4>,1|H<1>}	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H){1|H<1>,1|P<3>}	H(C[5]C[5]N[5]H)	110.3285	0.088	2	110.3285	0.008	2	110.6560	5.628	10	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.6375	6.434	2	109.6375	41.396	2	110.6560	5.628	10	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2{1|F<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.5725	0.008	2	111.5725	0.000	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1970	0.046	4	111.1970	0.002	4	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3160	0.006	2	111.3160	0.000	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3785	0.008	2	111.3785	0.000	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.2717	0.118	6	111.2717	0.014	6	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0135	0.136	18	111.0088	0.016	22	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.9878	0.091	4	111.0088	0.016	22	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0970	0.041	2	111.0970	0.002	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1997	0.077	6	111.1997	0.006	6	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0944	0.458	69	111.0962	0.188	78	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0650	0.000	1	111.0962	0.188	78	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1302	0.182	6	111.0962	0.188	78	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0685	0.029	2	111.0962	0.188	78	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8675	0.052	2	110.8675	0.003	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.1164	0.140	7	111.1892	0.032	11	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3165	0.188	4	111.1892	0.032	11	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1499	0.244	7	111.1499	0.060	7	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8595	0.033	2	110.9948	0.018	6	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0625	0.106	4	110.9948	0.018	6	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1050	0.195	4	111.1050	0.038	4	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2380	0.033	2	111.2380	0.001	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.9940	0.021	2	110.9940	0.000	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	108.9695	3.105	2	108.9695	9.640	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	112.5015	3.034	4	111.9675	6.328	6	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8995	0.781	2	111.9675	6.328	6	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1360	0.006	2	111.1360	0.000	2	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.3055	0.397	4	111.3055	0.158	4	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	110.6610	0.000	1	110.6610	0.000	1	111.1194	0.424	173	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	110.3968	0.290	6	110.3968	0.084	6	110.3968	0.084	6	111.0272	0.650	334	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]C)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CN)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	111.1597	0.160	3	111.1597	0.026	3	111.1597	0.026	3	111.3750	0.126	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CN)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CN)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.8165	0.047	2	110.8165	0.002	2	111.4636	0.161	8	111.3750	0.126	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.6793	0.041	6	111.6793	0.002	6	111.4636	0.161	8	111.3750	0.126	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3750	0.126	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	111.6070	0.016	2	111.6070	0.000	2	111.6070	0.000	2	111.6070	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.6195	0.019	2	111.6195	0.000	2	111.6195	0.000	2	111.4737	0.029	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO){1|O<1>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3280	0.055	2	111.3280	0.003	2	111.3280	0.003	2	111.4737	0.029	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	B[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]O[5]O)(H)2	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H){1|O<1>,2|N<3>}	H(C[5]C[5]2H)	110.5422	1.008	11	110.5422	1.016	11	110.5422	1.016	11	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.3170	0.000	1	111.3170	0.000	1	111.1430	0.023	3	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H){1|N<3>,2|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.0560	0.014	2	111.0560	0.000	2	111.1430	0.023	3	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5055	0.006	2	110.5055	0.000	2	110.5055	0.000	2	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]Os)(C[5]C[5]HH)(CCP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(H)2{1|Os<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Os)(C[5]C[5]HH)(CCP)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2010	0.112	5	110.2010	0.013	5	112.2291	14.108	15	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	116.5345	5.062	2	116.5345	25.626	2	112.2291	14.108	15	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	117.6140	6.436	2	117.6140	41.423	2	112.2291	14.108	15	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7220	0.011	2	110.7220	0.000	2	112.2291	14.108	15	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.3035	0.032	2	110.3035	0.001	2	112.2291	14.108	15	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0415	0.028	2	111.0415	0.001	2	112.2291	14.108	15	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.9130	0.093	2	110.9130	0.009	2	110.9130	0.009	2	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0685	0.005	2	111.0685	0.000	2	111.0685	0.000	2	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>}	H(C[5]C[5]2H)	111.0195	0.140	4	111.0195	0.019	4	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)(H){2|C<3>}	H(C[5]C[5]2H)	111.5770	0.000	1	111.5770	0.000	1	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7115	0.032	2	110.7115	0.001	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8775	0.015	2	110.8775	0.000	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4270	0.029	4	111.4270	0.001	4	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|H<1>}	H(C[5]C[5]2H)	112.2740	0.871	2	112.2740	0.759	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4820	1.253	8	110.4820	1.570	8	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.8655	0.028	2	110.8655	0.001	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9300	0.004	2	110.9300	0.000	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	111.0200	0.011	2	111.0200	0.000	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.8185	0.040	2	110.8185	0.002	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.7420	0.107	2	110.7420	0.012	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.9610	0.007	2	110.9610	0.000	2	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	H(C[5]C[5]2H)	110.5380	0.000	1	110.5380	0.000	1	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0863	0.547	18	111.0863	0.299	18	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H){1|O<1>}	H(C[5]C[5]2H)	110.9297	0.040	4	110.9540	0.002	6	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H){1|O<1>}	H(C[5]C[5]2H)	111.0025	0.019	2	110.9540	0.002	6	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	H(C[5]C[5]2H)	110.7130	0.045	4	110.7130	0.002	4	110.9732	0.388	64	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.6020	0.000	1	110.6020	0.000	1	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9940	1.056	6	110.9940	1.116	6	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6470	0.000	1	110.6470	0.000	1	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.6720	0.028	2	110.6033	0.007	4	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	110.5345	0.018	2	110.6033	0.007	4	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,5|C<3>}	H(C[5]C[5]2H)	110.5475	0.023	2	110.5433	0.001	4	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<2>,2|O<1>,5|C<3>}	H(C[5]C[5]2H)	110.5390	0.035	2	110.5433	0.001	4	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	110.4585	0.035	2	110.4585	0.001	2	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	110.6310	0.037	2	110.6310	0.001	2	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.7010	0.013	2	110.7010	0.000	2	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]C)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.8457	0.070	6	110.8457	0.005	6	110.7305	0.242	28	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClN)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClN)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.4075	0.012	2	111.4075	0.000	2	111.4075	0.000	2	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7750	0.013	2	110.7750	0.000	2	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|P<4>,3|C<3>}	H(C[5]C[5]2H)	111.0435	0.005	2	111.0435	0.000	2	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H){2|H<1>}	H(C[5]C[5]2H)	111.1705	0.006	2	111.1705	0.000	2	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2565	0.322	4	111.2565	0.104	4	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.4660	0.046	3	111.4660	0.002	3	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.6485	1.001	2	110.7960	0.363	4	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9435	0.019	2	110.7960	0.363	4	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H){1|O<1>}	H(C[5]C[5]2H)	110.7160	1.867	2	110.7160	3.485	2	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H){1|O<1>}	H(C[5]C[5]2H)	110.7798	1.591	4	110.7798	2.532	4	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H){1|O<1>}	H(C[5]C[5]2H)	110.7800	0.000	1	110.7800	0.000	1	110.9965	0.614	24	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1577	0.072	3	111.1577	0.005	3	110.8807	0.024	18	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	H(C[5]C[5]2H)	110.7160	0.018	2	110.7160	0.000	2	110.8807	0.024	18	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.8310	0.030	4	110.8402	0.010	11	110.8807	0.024	18	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8454	0.126	7	110.8402	0.010	11	110.8807	0.024	18	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8525	0.015	2	110.8525	0.000	2	110.8807	0.024	18	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:Si-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H){2|H<1>}	H(C[5]C[5]2H)	111.0915	0.052	2	111.0915	0.003	2	111.0915	0.003	2	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5665	0.045	2	110.5665	0.002	2	110.5665	0.002	2	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.7050	0.024	2	110.7050	0.001	2	110.6376	0.008	7	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,5|C<3>}	H(C[5]C[5]2H)	110.5210	0.059	2	110.5210	0.004	2	110.6376	0.008	7	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6703	0.042	3	110.6703	0.002	3	110.6376	0.008	7	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6030	0.055	2	110.6030	0.003	2	110.6030	0.003	2	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:Cl-1:	C[5]-4:	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]N[5]HH)(COO)(Cl)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]N[5]HH)(COO)(Cl){1|C<2>,5|C<3>}	H(C[5]C[5]N[5]H)	111.2407	0.034	4	111.2407	0.001	4	111.2407	0.001	4	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	111.1395	0.021	2	111.1395	0.000	2	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7259	0.032	7	110.6822	0.004	17	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.6517	0.061	10	110.6822	0.004	17	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	110.5675	0.028	2	110.8203	0.085	4	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,5|C<3>}	H(C[5]C[5]N[5]H)	111.0730	0.008	2	110.8203	0.085	4	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	111.0044	1.419	14	111.0044	2.013	14	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.9374	0.283	10	110.9374	0.080	10	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0672	0.121	6	111.0672	0.015	6	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	110.7165	0.059	2	110.7720	0.077	8	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.6008	0.179	4	110.7720	0.077	8	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1700	0.047	2	110.7720	0.077	8	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.9845	0.092	4	110.9845	0.009	4	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8090	0.074	4	110.8090	0.006	4	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1600	0.018	2	111.1600	0.000	2	110.8826	0.421	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3524	0.145	8	111.3524	0.021	8	111.1377	0.088	14	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.8515	0.165	6	110.8515	0.027	6	111.1377	0.088	14	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	113.5285	0.008	2	113.5285	0.000	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.2085	0.008	2	111.2085	0.000	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|S<6>,3|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1640	0.071	2	111.1640	0.005	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8655	0.047	2	110.8655	0.002	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]C[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]C[5])(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8560	0.006	2	110.8560	0.000	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(COO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3420	0.065	4	111.3420	0.004	4	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3043	0.180	3	111.1006	0.071	9	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9987	0.251	6	111.1006	0.071	9	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2089	0.257	14	111.1962	0.075	18	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.4720	0.027	2	111.1962	0.075	18	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8320	0.018	2	111.1962	0.075	18	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9140	0.049	2	110.9140	0.002	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5768	1.362	10	111.5768	1.855	10	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	113.6080	3.396	2	113.6080	11.530	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|O<2>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1155	0.016	2	111.1155	0.000	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	107.5360	3.014	2	107.5360	9.082	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9330	3.308	2	109.9330	10.942	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.0195	3.669	2	109.0195	13.463	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.6430	1.775	2	111.4365	11.746	4	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	113.2300	4.384	2	111.4365	11.746	4	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1675	0.029	2	111.1675	0.001	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2660	0.016	2	111.2660	0.000	2	111.1645	2.332	71	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<4>,5|H<1>}	H(C[5]C[5]N[5]H)	111.4459	2.381	10	111.4459	5.669	10	111.4459	5.669	10	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0160	0.820	2	111.0160	0.673	2	111.4517	2.019	20	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	111.4435	0.011	2	111.4435	0.000	2	111.4517	2.019	20	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8647	1.251	10	110.8647	1.564	10	111.4517	2.019	20	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.7392	1.114	4	111.7392	1.241	4	111.4517	2.019	20	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	114.2555	0.095	2	114.2555	0.009	2	111.4517	2.019	20	111.0477	1.541	374	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN){1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	111.0846	0.084	7	111.0846	0.007	7	111.0846	0.007	7	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.3080	0.017	2	111.3080	0.000	2	111.2963	2.931	6	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.2905	2.210	4	111.2905	4.884	4	111.2963	2.931	6	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH){1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.8235	0.013	2	110.8235	0.000	2	110.9504	0.041	12	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi){1|C<3>,1|N<2>,1|S<2>}	H(C[5]C[5]2H)	111.1090	0.006	2	111.1090	0.000	2	110.9504	0.041	12	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC){1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.5870	0.000	2	110.5870	0.000	2	110.9504	0.041	12	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH){1|O<1>}	H(C[5]C[5]2H)	111.0610	0.078	6	111.0610	0.006	6	110.9504	0.041	12	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2{1|Si<4>,1|O<2>,3|C<4>}	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8650	0.020	2	110.8650	0.000	2	110.8650	0.000	2	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0380	0.028	2	111.0380	0.001	2	111.0380	0.001	2	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:S-2:	C[5]-4:	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6170	0.008	2	110.6170	0.000	2	110.6723	0.005	4	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:S-2:	C[5]-4:	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.7275	0.040	2	110.7275	0.002	2	110.6723	0.005	4	111.0082	0.507	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8325	0.008	2	110.8325	0.000	2	110.8325	0.000	2	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5]H)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.0445	0.022	2	111.0445	0.000	2	111.0445	0.000	2	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.7490	3.828	2	109.7490	14.656	2	109.7490	14.656	2	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{2|C<4>}	H(C[5]C[5]2H)	110.9622	0.066	5	110.9622	0.004	5	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{2|C<4>}	H(C[5]C[5]2H)	110.8910	0.046	4	110.8910	0.002	4	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CC[6a]C)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]C)(COO){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1350	0.011	2	111.1350	0.000	2	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.0745	1.563	2	110.8377	0.899	76	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{2|C<3>}	H(C[5]C[5]2H)	110.8924	0.514	46	110.8377	0.899	76	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8149	1.583	9	110.8377	0.899	76	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	109.6445	2.232	2	110.8377	0.899	76	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{2|C<4>}	H(C[5]C[5]2H)	110.9706	0.054	8	110.8377	0.899	76	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6541	1.872	8	110.8377	0.899	76	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.8450	0.000	1	110.8377	0.899	76	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1455	0.005	2	111.1455	0.000	2	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(CC[6a]C)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]C)(COO){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1280	0.000	1	111.1280	0.000	1	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(CC[6a]O)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]O)(COO){2|H<1>}	H(C[5]C[5]2H)	111.0222	0.055	4	111.0222	0.003	4	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{2|H<1>}	H(C[5]C[5]2H)	111.2053	0.048	3	111.2053	0.002	3	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.2500	0.035	2	111.2500	0.001	2	110.8882	0.700	99	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-3:C-3:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.2393	0.030	3	111.2393	0.001	3	111.2393	0.001	3	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8140	0.025	2	110.8140	0.001	2	110.8140	0.001	2	110.8776	0.792	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[3]N[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[3]C[3]O[3]C)(C[5]C[5]HH)(N[5]N[5]S)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[3]N[5]C)(C[5]C[6a]N[5])(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5](C[3]C[3]O[3]C)(C[5]C[5]HH)(N[5]N[5]S)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1843	0.153	4	111.1843	0.024	4	111.1843	0.024	4	110.8959	0.164	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.2875	0.023	2	110.2875	0.001	2	110.2875	0.001	2	110.8959	0.164	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9275	0.013	2	110.9275	0.000	2	110.9275	0.000	2	110.8959	0.164	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5]2Br)	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7885	0.037	2	110.7885	0.001	2	110.7885	0.001	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.3615	0.013	2	110.3615	0.000	2	110.3615	0.000	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.7510	4.972	2	111.7510	24.725	2	111.7510	24.725	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.0300	0.000	1	111.0300	0.000	1	110.6348	0.061	16	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2185	0.323	2	110.2185	0.104	2	110.6348	0.061	16	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6535	0.050	2	110.6535	0.003	2	110.6348	0.061	16	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6628	0.175	8	110.6628	0.031	8	110.6348	0.061	16	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(H)2{2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	110.6937	0.190	3	110.6937	0.036	3	110.6348	0.061	16	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0335	0.016	2	111.0335	0.000	2	110.6587	0.128	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.1010	0.000	1	110.1010	0.000	1	110.6587	0.128	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.5947	0.137	3	110.5947	0.019	3	110.6587	0.128	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2{1|N<4>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H){1|N<4>,1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	109.7050	0.041	2	109.7050	0.002	2	109.7050	0.002	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.7715	1.053	6	111.4951	0.714	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8820	0.986	2	111.4951	0.714	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2415	0.011	2	111.4951	0.714	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.5325	0.030	2	111.4951	0.714	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2370	0.008	2	110.2370	0.000	2	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.4570	0.013	2	110.5006	0.047	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3285	0.042	2	110.5006	0.047	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.1605	0.035	2	110.5006	0.047	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6858	0.058	6	110.5006	0.047	12	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4780	0.033	2	110.4780	0.001	2	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.3315	0.039	2	111.3315	0.002	2	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.8550	0.000	1	110.8550	0.000	1	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	111.0455	2.098	2	111.0455	4.402	2	110.9390	0.642	33	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	112.5910	1.467	2	112.5910	2.151	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5450	0.088	2	110.5450	0.008	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5705	0.107	2	110.5705	0.011	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CH3)(H){2|C<3>}	H(C[5]C[5]2H)	111.0012	0.104	4	111.0012	0.011	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8640	0.000	1	110.8640	0.000	1	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.5135	0.008	2	111.5135	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0625	0.009	2	111.0177	0.006	3	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9280	0.000	1	111.0177	0.006	3	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1183	0.082	3	111.1183	0.007	3	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.9760	0.023	2	110.9760	0.001	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	H(C[5]C[5]2H)	111.3260	0.004	2	111.3260	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(CPbHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(CPbHH)(H){2|H<1>}	H(C[5]C[5]2H)	111.3303	0.060	4	111.3303	0.004	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1550	0.008	2	111.1550	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7580	0.033	2	110.7580	0.001	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8265	0.697	4	110.6244	0.256	8	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.4222	0.039	4	110.6244	0.256	8	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5555	0.028	2	110.5555	0.001	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.4995	0.016	2	110.4995	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.2220	0.000	1	110.2220	0.000	1	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.6457	0.099	6	110.6457	0.010	6	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.3710	0.018	2	110.3710	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(CCCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCCN)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	112.1850	2.908	4	112.1850	8.458	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(CC[6a]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]2C)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8452	0.167	4	110.8452	0.028	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(CC[6a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]CC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	115.1230	2.498	2	115.1230	6.238	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(CHHN)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9970	0.022	4	110.9970	0.000	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H){2|C<3>}	H(C[5]C[5]2H)	110.7800	0.006	4	110.7800	0.000	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H){1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.8667	0.163	4	110.8667	0.026	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8350	0.010	2	110.8350	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6825	0.053	2	110.6825	0.003	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.7860	0.116	4	110.7860	0.013	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8905	0.008	2	110.8905	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|O<1>,1|S<4>}	H(C[5]C[5]2H)	110.5200	0.000	1	110.5200	0.000	1	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7198	0.348	6	110.7198	0.121	6	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.3192	0.130	4	110.3192	0.017	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(C[5]C[5]2H)	112.0381	2.351	8	112.0381	5.527	8	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H){1|O<1>}	H(C[5]C[5]2H)	110.5178	0.094	5	110.5178	0.009	5	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]2H)	110.7615	0.043	2	110.7615	0.002	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]2H)	110.9340	0.021	2	111.1497	0.062	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]2H)	111.3655	0.006	2	111.1497	0.062	4	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H){1|O<1>}	H(C[5]C[5]2H)	112.8605	0.736	2	112.8605	0.542	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H){1|O<1>}	H(C[5]C[5]2H)	110.5605	0.025	2	110.5605	0.001	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.6670	0.016	2	110.6670	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5]2H)	110.7990	0.047	2	110.7990	0.002	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9985	0.013	2	110.9985	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9210	0.038	2	110.9210	0.001	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	111.5533	0.877	6	111.5533	0.769	6	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.5650	0.031	2	110.5650	0.001	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9800	0.004	2	110.9800	0.000	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0365	0.057	2	111.0365	0.003	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9170	0.023	2	110.9170	0.001	2	111.0670	1.104	140	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9772	0.347	4	110.9772	0.121	4	110.8594	0.064	14	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8725	0.272	4	110.8725	0.074	4	110.8594	0.064	14	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.7705	0.005	2	110.7705	0.000	2	110.8594	0.064	14	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]2H)	110.9630	0.008	2	110.9630	0.000	2	110.8594	0.064	14	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]O)(H)2	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.5825	0.018	2	110.5825	0.000	2	110.8594	0.064	14	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.6495	0.154	8	110.6495	0.024	8	110.6495	0.024	8	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	H(C[5]C[5]2H)	110.7150	0.065	2	110.7150	0.004	2	110.7150	0.004	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.7650	0.030	2	110.7650	0.001	2	110.9312	0.032	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H){1|O<1>}	H(C[5]C[5]2H)	110.8765	0.019	2	110.8765	0.000	2	110.9312	0.032	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.1520	0.010	2	111.1520	0.000	2	110.9312	0.032	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	112.6774	2.257	10	112.6774	5.094	10	112.6774	5.094	10	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.6620	0.188	2	112.2590	3.407	4	112.2590	3.407	4	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	112.8560	2.960	2	112.2590	3.407	4	112.2590	3.407	4	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.7077	0.196	3	110.7077	0.038	3	110.7077	0.038	3	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.9850	2.799	2	111.9850	7.833	2	111.9850	7.833	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1020	0.000	1	111.1285	0.001	2	110.8701	0.123	8	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1550	0.000	1	111.1285	0.001	2	110.8701	0.123	8	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8395	0.028	2	110.8395	0.001	2	110.8701	0.123	8	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	110.3475	0.008	2	110.3475	0.000	2	110.8701	0.123	8	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H){1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1650	0.013	2	111.1650	0.000	2	110.8701	0.123	8	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2{1|Fe<10>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|H<1>,2|O<1>,3|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.6395	0.011	2	110.6395	0.000	2	110.6395	0.000	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	111.7465	3.516	2	111.7465	12.365	2	111.2392	1.650	9	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8925	0.021	2	110.8925	0.000	2	111.2392	1.650	9	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2900	0.049	2	111.2900	0.002	2	111.2392	1.650	9	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	111.1610	0.000	1	111.1610	0.000	1	111.2392	1.650	9	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	H(C[5]C[5]N[5]H)	111.0670	0.059	2	111.0670	0.004	2	111.2392	1.650	9	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H){3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7150	0.011	2	110.7150	0.000	2	110.7150	0.000	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.7445	0.047	2	110.7445	0.002	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.8310	0.361	2	111.8310	0.130	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H){3|C<3>}	H(C[5]C[5]N[5]H)	101.1024	6.839	2	101.1024	46.767	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	111.0715	0.733	2	111.0715	0.538	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	111.1785	0.078	4	111.1785	0.006	4	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2405	0.060	2	111.2405	0.004	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3265	0.026	2	111.3265	0.001	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8190	0.044	2	110.8190	0.002	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0665	0.011	2	110.9105	0.032	4	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7545	0.005	2	110.9105	0.032	4	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	110.6550	0.035	2	110.6550	0.001	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.2160	0.075	4	111.2160	0.006	4	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	110.7775	0.021	2	110.7775	0.000	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1050	0.000	1	111.1050	0.000	1	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3085	0.009	2	111.3085	0.000	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.0595	0.074	4	111.0445	0.055	11	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1672	0.240	5	111.0445	0.055	11	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7075	0.030	2	111.0445	0.055	11	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1750	0.014	2	111.1460	0.001	4	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1170	0.014	2	111.1460	0.001	4	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.0845	0.030	2	111.0845	0.001	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|Cl<1>,1|C<4>,1|H<1>}	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.7330	0.050	3	110.7330	0.003	3	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2615	0.018	2	111.2615	0.000	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.9928	0.258	6	110.9928	0.066	6	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.1525	0.012	2	111.1525	0.000	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	115.6120	1.194	2	115.6120	1.425	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3870	0.032	4	111.3870	0.001	4	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8345	0.012	2	110.8345	0.000	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H){2|C<3>}	H(C[5]C[5]N[5]H)	110.5845	0.018	2	110.5845	0.000	2	110.9166	4.058	73	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	111.1940	0.158	3	111.1940	0.025	3	111.2290	0.015	5	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	111.2815	0.008	2	111.2815	0.000	2	111.2290	0.015	5	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8975	0.033	2	110.8975	0.001	2	110.8975	0.001	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2100	0.020	2	111.2100	0.000	2	111.2100	0.000	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2300	0.007	2	111.2300	0.000	2	111.2300	0.000	2	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9980	0.006	2	110.9980	0.000	2	110.5940	0.218	4	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.1900	0.008	2	110.1900	0.000	2	110.5940	0.218	4	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0607	0.023	4	111.0607	0.001	4	111.1087	0.006	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2045	0.015	2	111.2045	0.000	2	111.1087	0.006	6	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2{1|C<3>,2|O<1>}	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	111.0089	1.719	371	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.9497	0.449	4	111.9497	0.201	4	111.8662	0.138	6	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.6990	0.017	2	111.6990	0.000	2	111.8662	0.138	6	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.9157	0.168	6	110.9157	0.028	6	110.9157	0.028	6	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0870	0.000	1	111.0870	0.000	1	111.0225	0.118	11	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1795	0.045	2	111.1795	0.002	2	111.0225	0.118	11	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.3790	0.059	2	110.3790	0.004	2	111.0225	0.118	11	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.1700	0.049	2	111.1700	0.002	2	111.0225	0.118	11	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9835	0.025	2	110.9835	0.001	2	111.0225	0.118	11	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH){1|O<1>}	H(C[5]C[5]2H)	111.3685	0.033	2	111.3685	0.001	2	111.0225	0.118	11	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.7050	0.040	2	110.7050	0.002	2	110.9975	2.647	4	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2900	2.756	2	111.2900	7.597	2	110.9975	2.647	4	111.1826	0.523	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(CHHN)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5,6]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(CHHN)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4140	0.037	2	110.4140	0.001	2	110.4140	0.001	2	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9757	0.055	3	110.9757	0.003	3	110.9757	0.003	3	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(COO){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0945	0.006	2	111.0945	0.000	2	110.9592	0.021	5	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(CCO){1|O<1>}	H(C[5]C[5]2H)	110.8080	0.037	2	110.8080	0.001	2	110.9592	0.021	5	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO){1|O<1>}	H(C[5]C[5]2H)	110.9910	0.000	1	110.9910	0.000	1	110.9592	0.021	5	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.8127	0.218	6	110.8127	0.048	6	111.1672	0.769	10	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.7985	0.012	2	110.7985	0.000	2	111.1672	0.769	10	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	112.5995	1.248	2	112.5995	1.558	2	111.1672	0.769	10	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8615	0.029	2	110.8615	0.001	2	110.8615	0.001	2	110.9975	0.383	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7400	0.006	2	110.7400	0.000	2	110.8790	0.026	4	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]O[5]O)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]O[5]O)(H)2{1|C<3>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)2{2|C<3>,2|O<1>}	H(C[5]C[5]2H)	111.0180	0.042	2	111.0180	0.002	2	110.8790	0.026	4	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	113.7093	2.505	3	113.7093	6.273	3	113.7093	6.273	3	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|O<1>}	H(C[5]C[5]2H)	110.8970	0.411	4	110.8970	0.169	4	110.6708	0.182	22	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6295	0.021	2	110.6295	0.000	2	110.6708	0.182	22	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.2360	0.430	7	110.4204	0.273	9	110.6708	0.182	22	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0660	0.062	2	110.4204	0.273	9	110.6708	0.182	22	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(CHHN)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8505	0.030	4	110.8505	0.001	4	110.6708	0.182	22	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3){1|O<1>}	H(C[5]C[5]2H)	111.1210	0.000	1	111.1210	0.000	1	110.6708	0.182	22	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3){1|O<1>}	H(C[5]C[5]2H)	110.8020	0.004	2	110.8020	0.000	2	110.6708	0.182	22	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.9495	0.016	2	110.9495	0.000	2	110.9045	0.003	4	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.8595	0.042	2	110.8595	0.002	2	110.9045	0.003	4	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:C-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]C[5]H)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3){1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.1535	0.013	2	111.1535	0.000	2	111.3077	0.032	4	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:C-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]S)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]C[5]S)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3){1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.4620	0.010	2	111.4620	0.000	2	111.3077	0.032	4	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:S-4:	C[5]-4:	C[5](C[5]C[5]SS)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9995	0.018	2	110.9995	0.000	2	110.9995	0.000	2	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	Ge[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{1|Te<1>,1|Te<2>,1|N<3>}	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	109.1970	0.539	4	109.1904	0.166	8	109.1904	0.166	8	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	Ge[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{2|Te<1>,1|N<3>}	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	109.1838	0.310	4	109.1904	0.166	8	109.1904	0.166	8	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|O<2>}	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8285	2.427	2	110.8285	5.893	2	110.8285	5.893	2	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2{1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.5866	0.649	10	110.5866	0.421	10	110.5866	0.421	10	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9587	0.289	4	110.9587	0.083	4	110.9562	0.051	6	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3){1|C<3>,4|C<4>}	H(C[5]C[5]N[5]H)	110.9510	0.052	2	110.9510	0.003	2	110.9562	0.051	6	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.1770	0.528	2	110.2518	0.258	4	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.3265	0.688	2	110.2518	0.258	4	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	110.9363	0.072	4	111.0031	0.013	15	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.0317	0.081	3	111.0031	0.013	15	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9652	0.096	6	111.0031	0.013	15	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	111.2075	0.033	2	111.0031	0.013	15	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0470	0.004	2	111.0470	0.000	2	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	113.4230	1.687	2	112.2233	2.868	4	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	111.0235	0.033	2	112.2233	2.868	4	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3595	0.046	2	110.3595	0.002	2	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9735	0.072	4	110.9735	0.005	4	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7725	0.009	2	110.7725	0.000	2	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	110.9410	0.034	2	110.9410	0.001	2	111.0023	0.551	35	110.8211	0.970	100	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	4:4:6:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-6:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.3970	0.054	2	111.3970	0.003	2	111.3970	0.003	2	111.3970	0.003	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	C[5](C[5]N[5]COV)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,1|V<8>}	C[5](C[5]N[5]COV)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7745	0.101	2	110.7745	0.010	2	110.7745	0.010	2	110.7745	0.010	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	6:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	H(C[5]C[5]2H)	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	6:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	H(C[5]C[5]2H)	109.6135	0.160	8	109.6135	0.026	8	109.5786	0.025	10	109.3763	0.244	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	6:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2{6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|O<1>,4|H<1>,5|B<6>}	H(C[5]C[5]2H)	109.4390	0.016	2	109.4390	0.000	2	109.5786	0.025	10	109.3763	0.244	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	6:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	Ge[3x5]-6:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2{2|N<3>,2|O<2>}	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H){1|O<1>,6|C<3>}	H(C[5]C[5]2H)	108.3650	0.025	2	108.3650	0.001	2	108.3650	0.001	2	109.3763	0.244	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:1:1:	6:4:4:2:	4:	C[5]-4:C[5,6a]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH){2|C<3>,5|B<6>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2683	0.010	3	111.2683	0.000	3	111.2683	0.000	3	111.2683	0.000	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]2O)	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC){3|H<1>,5|C<3>}	H(C[5]C[5]N[5]O)	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:3:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5]2O)	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO){5|C<3>,5|H<1>}	H(C[5]C[5]2O)	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0550	0.000	1	109.0550	0.000	1	110.2345	2.782	2	109.1835	2.418	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2{5|C<3>}	H(C[5]C[6a]C[5]O[5])	111.4140	0.000	1	111.4140	0.000	1	110.2345	2.782	2	109.1835	2.418	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]S[5])	108.1325	0.231	2	108.1325	0.053	2	108.1325	0.053	2	109.1835	2.418	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]O)	111.8148	0.252	4	111.8148	0.064	4	111.8148	0.064	4	111.7082	0.104	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	N[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H){1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]N[5]O)	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	111.7082	0.104	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:2:3:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	H(C[5]C[5]N[5]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]O)	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.8500	0.000	2	109.8500	0.000	2	109.8500	0.000	2	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H){5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.2290	0.000	1	108.2290	0.000	1	108.2553	0.088	7	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.2597	0.325	6	108.2597	0.106	6	108.2553	0.088	7	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6653	0.327	4	108.4774	0.257	5	108.4774	0.257	5	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	107.7260	0.000	1	108.4774	0.257	5	108.4774	0.257	5	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.8025	0.227	2	109.0960	1.523	3	109.0960	1.523	3	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	107.6830	0.000	1	109.0960	1.523	3	109.0960	1.523	3	108.8318	1.220	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5]2S[5])	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2S[5])	108.2935	0.558	2	108.2935	0.311	2	108.2935	0.311	2	108.3697	0.173	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:2:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(CN)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(CN){1|O<1>,2|C<3>,2|N<3>}	H(C[5]C[6a]C[5]O[5])	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	108.3697	0.173	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:3:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H){1|N<3>,3|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	H(C[5]C[5]2O[5])	109.6985	0.067	2	109.6985	0.005	2	109.6985	0.005	2	109.6985	0.005	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:3:4:	4:	C[5]-4:C[5]-3:C-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.7660	0.000	2	106.7660	0.000	2	106.7660	0.000	2	106.7660	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2O)	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2O)	109.9880	0.518	2	109.9880	0.268	2	109.9442	0.399	9	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.9317	0.697	7	109.9317	0.486	7	109.9442	0.399	9	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H){1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4780	0.093	4	108.4780	0.009	4	108.4780	0.009	4	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	H(C[5]C[6a]C[5]S[5])	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]S[5])	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]O)	111.4235	0.245	2	111.4235	0.060	2	111.4235	0.060	2	109.5802	1.562	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC)	H(C[5]C[5]2O)	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H){1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC){1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]2O)	107.9485	0.120	2	107.9485	0.014	2	107.9485	0.014	2	107.9485	0.014	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O)	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	108.4443	0.751	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	108.9205	0.377	2	108.9205	0.142	2	108.9205	0.142	2	108.4443	0.751	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2O)	111.8150	0.232	2	111.8150	0.054	2	111.2133	1.468	4	109.5864	1.272	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2O)	109.4070	0.000	1	109.4070	0.000	1	111.2133	1.468	4	109.5864	1.272	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2O)	111.8160	0.000	1	111.8160	0.000	1	111.2133	1.468	4	109.5864	1.272	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:2:1:1:	4:	C[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]C[6]O[5])	109.8280	0.322	4	109.8280	0.104	4	109.8280	0.104	4	109.5864	1.272	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:2:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	109.2875	0.978	25	109.2875	0.956	25	109.2875	0.956	25	109.5864	1.272	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:2:2:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H)	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H){1|C<4>}	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H){1|C<4>,1|N<3>}	H(C[5]C[5]N[5]O)	112.5440	0.000	1	112.5440	0.000	1	112.5440	0.000	1	112.5440	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H)	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2	H(C[5]C[5]N[5]S)	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H){2|C<4>}	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]S)	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2N)	109.6000	0.000	1	110.6975	2.409	2	110.6975	2.409	2	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2N)	111.7950	0.000	1	110.6975	2.409	2	110.6975	2.409	2	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2O)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2O)	114.4440	0.000	1	114.4440	0.000	1	113.1265	3.472	2	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.8090	0.000	1	111.8090	0.000	1	113.1265	3.472	2	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2S)	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H)	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4620	0.172	3	108.4620	0.030	3	108.4620	0.030	3	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5]N[5]O[5])	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]O[5])	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H)	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]S)	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]S)	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	110.4585	5.673	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	107.8300	0.000	1	107.8300	0.000	1	109.4690	1.993	12	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2O)	108.3770	0.000	1	108.3770	0.000	1	109.4690	1.993	12	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H){1|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H){1|C<3>}	H(C[5]C[5]2O)	110.3263	1.470	4	110.3263	2.161	4	109.4690	1.993	12	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2O)	110.1815	0.593	2	108.9783	2.048	4	109.4690	1.993	12	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2O)	107.7750	0.008	2	108.9783	2.048	4	109.4690	1.993	12	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){1|O<1>}	H(C[5]C[5]2O)	110.1015	0.844	2	110.1015	0.712	2	109.4690	1.993	12	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H){1|Pd<4>,2|C<3>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2O[5])	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]O)(SRe)(H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(SRe)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HS)(C[5]O[5]O)(SRe)(H){1|O<1>}	C[5](C[5]C[5]HS)(C[5]O[5]O)(SRe)(H){1|O<1>}	H(C[5]C[5]2S)	109.3740	1.536	4	109.3740	2.358	4	109.3740	2.358	4	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9476	0.581	7	108.9476	0.338	7	108.9476	0.338	7	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H){1|Pd<4>,2|C<3>,4|C<4>}	H(C[5]C[6a]C[5]O[5])	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:S-2:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl){2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2909	0.510	7	109.2909	0.260	7	109.2909	0.260	7	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8810	0.409	2	108.8810	0.167	2	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1282	0.159	4	109.1075	0.236	22	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1586	0.511	16	109.1075	0.236	22	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6570	0.717	2	109.1075	0.236	22	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.4357	0.606	4	109.4357	0.368	4	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6060	0.385	6	109.3779	1.202	8	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6935	2.535	2	109.3779	1.202	8	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.4070	0.000	1	109.4070	0.000	1	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8015	0.695	2	108.3660	0.484	4	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	107.9305	0.459	2	108.3660	0.484	4	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0390	1.444	2	109.0390	2.085	2	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7640	1.129	2	108.7640	1.274	2	109.0971	0.525	45	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]O)	110.8795	1.215	4	110.8032	1.367	6	110.8032	1.367	6	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|H<1>,1|S<1>}	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|H<1>,1|S<1>}	H(C[5]C[5]N[5]O)	110.6505	1.528	2	110.8032	1.367	6	110.8032	1.367	6	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H)	H(C[5]C[5]N[5]O)	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]O)	111.3625	0.087	2	111.3625	0.008	2	111.3625	0.008	2	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H)	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H)	H(C[5]C[5]N[5]S)	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]S)	109.6360	0.033	2	109.6360	0.001	2	109.6360	0.001	2	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H)	H(C[5]C[5]N[5]S[5])	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,5|H<1>}	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,5|H<1>}	H(C[5]C[5]N[5]S[5])	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:1:	4:	C[5]-4:P[5]-3:O[5]-2:H-1:	C[5]-4:P[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H)	H(C[5]C[5]O[5]P[5])	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H){1|C<4>,4|C<3>}	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H){1|C<4>,4|C<3>}	H(C[5]C[5]O[5]P[5])	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	109.3325	1.060	90	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8900	0.300	2	108.8900	0.090	2	108.8900	0.090	2	108.8900	0.090	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:2:4:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0210	0.374	4	108.0210	0.140	4	108.2621	0.259	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.9720	0.000	1	107.9720	0.000	1	108.2621	0.259	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7710	0.000	1	108.8895	0.028	2	108.2621	0.259	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0080	0.000	1	108.8895	0.028	2	108.2621	0.259	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.0520	0.000	1	108.9740	1.700	2	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	109.8960	0.000	1	108.9740	1.700	2	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4246	0.151	5	108.4637	0.027	6	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6590	0.000	1	108.4637	0.027	6	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3745	0.886	2	108.3745	0.785	2	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	109.3130	0.000	1	109.3130	0.000	1	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.1160	0.000	1	108.1160	0.000	1	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	107.9603	0.573	3	107.9603	0.328	3	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7860	0.000	1	108.7860	0.000	1	108.4734	0.368	16	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7320	0.000	1	108.7320	0.000	1	108.3721	0.068	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.0630	0.000	1	108.0630	0.000	1	108.3721	0.068	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3807	0.297	3	108.3807	0.088	3	108.3721	0.068	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3590	0.000	1	108.3590	0.000	1	108.3721	0.068	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3090	0.000	1	108.3090	0.000	1	108.3721	0.068	7	108.5759	1.132	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:2:	4:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH)	H(C[5]C[5]2S[5])	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH){1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5]2S[5])	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,1|O<1>}	H(C[5]C[5]2O)	107.9020	0.417	2	107.9020	0.174	2	107.9020	0.174	2	108.2035	0.207	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:4:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.2035	0.207	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:3:4:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:P-4:	C[5]-4:	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H){1|S<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3){1|S<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.2035	0.207	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.1575	0.798	2	110.1575	0.637	2	109.4830	1.684	3	109.8259	1.821	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	108.1340	0.000	1	108.1340	0.000	1	109.4830	1.684	3	109.8259	1.821	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	109.8259	1.821	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	109.8259	1.821	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2O[5])	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	109.8259	1.821	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]O)	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	109.8259	1.821	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	H(C[5]C[5]2O)	108.6000	0.120	2	108.6000	0.014	2	108.6000	0.014	2	108.6374	4.281	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	105.3390	0.000	1	105.3390	0.000	1	105.3390	0.000	1	108.6374	4.281	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.8050	0.000	1	110.3240	0.539	2	110.3240	0.539	2	108.6374	4.281	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	110.8430	0.000	1	110.3240	0.539	2	110.3240	0.539	2	108.6374	4.281	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8140	0.000	1	108.8140	0.000	1	108.1613	0.327	3	108.1613	0.327	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	107.8350	0.126	2	107.8350	0.016	2	108.1613	0.327	3	108.1613	0.327	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H){1|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2{1|C<3>}	H(C[5]C[5]2O)	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	108.8645	1.154	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2{2|C<3>}	H(C[5]C[5]2O)	109.6240	0.000	1	109.6240	0.000	1	109.6240	0.000	1	108.8645	1.154	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2O)	111.0390	0.204	2	111.0390	0.041	2	110.2456	0.238	11	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2O)	110.8890	0.000	1	110.8890	0.000	1	110.2456	0.238	11	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5]2O)	110.1480	0.000	1	110.0700	0.012	2	110.2456	0.238	11	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2O)	109.9920	0.000	1	110.0700	0.012	2	110.2456	0.238	11	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.9325	0.033	6	109.9325	0.001	6	110.2456	0.238	11	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2{2|H<1>}	H(C[5]C[5]2O)	99.3250	0.000	1	99.3250	0.000	1	99.3250	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H){1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>}	H(C[5]C[5]2O)	111.4900	0.000	1	111.4900	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){1|C<2>,1|C<3>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<2>,1|C<4>}	H(C[5]C[5]2O)	109.9690	0.000	1	109.9690	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	113.2110	0.000	1	113.2110	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<4>}	H(C[5]C[5]2O)	110.7740	0.000	1	110.7740	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	107.0360	1.725	2	107.0360	2.977	2	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2O)	109.7780	0.000	1	109.7780	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.4430	0.000	2	111.4430	0.000	2	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.3310	0.000	1	110.3310	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.0270	0.000	1	111.0270	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|N<3>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.3860	0.000	1	111.3860	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2O)	111.3320	0.000	1	111.3320	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2O)	108.2870	0.000	1	108.2870	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2O)	110.2810	0.000	1	110.2810	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2O)	110.2250	0.000	1	110.2250	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2O)	110.7670	0.000	1	110.7670	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2O)	106.4620	0.000	1	106.4620	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2O)	109.7670	0.569	3	109.7670	0.324	3	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2O)	110.5780	0.079	4	110.5780	0.006	4	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2O)	111.0675	0.186	2	111.0675	0.035	2	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2O)	111.4030	0.000	1	111.4030	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2O)	111.3295	0.685	2	111.3295	0.469	2	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2O)	111.0980	0.000	1	111.0980	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2O)	110.6930	0.000	1	110.6930	0.000	1	110.3712	2.150	32	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	H(C[5]C[5]2O)	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H){1|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{2|H<1>}	H(C[5]C[5]2O)	109.9980	0.000	2	109.9980	0.000	2	109.9980	0.000	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H)	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H){2|C<4>}	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2O)	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2S)	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2S)	110.4180	0.000	1	110.4180	0.000	1	109.5062	4.973	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2S)	110.5390	1.758	2	110.5390	3.090	2	109.5062	4.973	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(H){2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2S)	106.5290	0.000	1	106.5290	0.000	1	109.5062	4.973	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:Se-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SeC[6a])(H)	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2Se)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SeC[6a])(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2{1|O<1>}	H(C[5]C[5]2Se)	110.3560	0.529	2	110.3560	0.280	2	110.3560	0.280	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5a]C[5]O[5])	109.0100	0.000	1	109.2892	0.062	6	109.2892	0.062	6	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5a]C[5]O[5])	109.5970	0.000	1	109.2892	0.062	6	109.2892	0.062	6	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	H(C[5]C[5a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5a]C[5]O[5])	109.2820	0.212	4	109.2892	0.062	6	109.2892	0.062	6	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	110.1370	0.000	1	110.1370	0.000	1	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9220	0.000	1	109.0727	0.047	3	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,2|O<2>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.3220	0.000	1	109.0727	0.047	3	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[6a]C[5]O[5])	108.9740	0.000	1	109.0727	0.047	3	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5329	0.220	7	109.5329	0.048	7	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2910	0.000	1	109.2910	0.000	1	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5670	0.000	1	109.5670	0.000	1	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5270	0.000	1	109.6140	0.013	5	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6358	0.120	4	109.6140	0.013	5	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7860	0.000	1	109.2150	0.368	2	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<2>,1|O<2>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6440	0.000	1	109.2150	0.368	2	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.9710	0.000	1	109.9710	0.000	1	109.4959	0.113	21	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.0410	0.119	2	109.4677	6.113	3	109.1407	2.150	7	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	112.3210	0.000	1	109.4677	6.113	3	109.1407	2.150	7	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0010	0.187	2	109.0010	0.035	2	109.1407	2.150	7	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7900	0.177	2	108.7900	0.031	2	109.1407	2.150	7	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	107.1230	0.000	1	108.3648	0.761	4	108.3648	0.761	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6745	0.402	2	108.3648	0.761	4	108.3648	0.761	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9870	0.000	1	108.3648	0.761	4	108.3648	0.761	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5245	0.888	8	109.5245	0.789	8	109.5245	0.789	8	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.6750	0.066	2	110.6750	0.004	2	110.6750	0.004	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	109.7830	0.000	1	109.7830	0.000	1	109.6513	1.129	3	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.5290	0.000	1	109.5855	2.232	2	109.6513	1.129	3	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.6420	0.000	1	109.5855	2.232	2	109.6513	1.129	3	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]N)	114.0800	0.000	1	114.8582	0.481	4	114.8582	0.481	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]N[5]N)	114.9055	0.605	2	114.8582	0.481	4	114.8582	0.481	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]N)	115.5420	0.000	1	114.8582	0.481	4	114.8582	0.481	4	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H){1|C<4>,2|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]N[5]O)	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]O)	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]O)	111.6270	1.914	5	111.6270	3.662	5	111.6775	1.811	10	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]O)	111.4740	0.000	1	112.0967	0.295	3	111.6775	1.811	10	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]O)	112.4080	0.093	2	112.0967	0.295	3	111.6775	1.811	10	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]O)	111.0700	0.000	1	111.0700	0.000	1	111.6775	1.811	10	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]N[5]O)	111.2800	0.000	1	111.2800	0.000	1	111.6775	1.811	10	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]N[5]O[5])	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]O[5])	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	109.2870	0.000	1	109.2870	0.000	1	109.4710	0.068	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	109.6550	0.000	1	109.6550	0.000	1	109.4710	0.068	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	105.6600	0.000	1	105.6600	0.000	1	105.6600	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[6]O[5])	109.6830	0.000	1	109.6830	0.000	1	110.0517	2.127	15	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	110.0050	0.079	4	110.0050	0.006	4	110.0517	2.127	15	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[6]O[5])	112.6660	0.000	1	110.1072	3.288	10	110.0517	2.127	15	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	110.0500	0.967	3	110.1072	3.288	10	110.0517	2.127	15	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	111.6265	2.831	2	110.1072	3.288	10	110.0517	2.127	15	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[6]O[5])	108.4807	0.386	3	110.1072	3.288	10	110.0517	2.127	15	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	109.5610	0.000	1	110.1072	3.288	10	110.0517	2.127	15	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	H(C[5]N[6a]C[5]O[5])	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H)	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	109.2750	0.000	1	109.2750	0.000	1	109.2750	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	112.1300	0.000	1	110.5445	5.028	2	110.5445	5.028	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	108.9590	0.000	1	110.5445	5.028	2	110.5445	5.028	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[6a]C[5]O[5])	109.3850	0.238	3	109.3850	0.057	3	109.3056	0.048	5	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[6a]C[5]O[5])	109.3090	0.000	1	109.3090	0.000	1	109.3056	0.048	5	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[6a]C[5]O[5])	109.0640	0.000	1	109.0640	0.000	1	109.3056	0.048	5	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:F-1:	C[5]-4:	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F)	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	109.0650	0.252	2	109.0650	0.063	2	109.0650	0.063	2	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H)	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[6a]C[5]O[5])	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	109.9770	3.032	155	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.8535	0.684	2	111.8535	0.468	2	111.8535	0.468	2	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)2(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.4940	0.000	1	111.4940	0.000	1	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H){1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	H(C[5]C[5]2O)	110.7740	0.000	1	110.7740	0.000	1	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)2(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.7600	0.000	1	109.7600	0.000	1	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2O)	111.2620	0.000	1	111.2620	0.000	1	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|N<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2O)	110.2610	0.238	2	110.2610	0.056	2	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2O)	109.8990	0.000	1	109.8990	0.000	1	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	H(C[5]C[5]2O)	112.4460	0.000	1	112.4460	0.000	1	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	H(C[5]C[5]2O)	110.1660	0.000	1	110.1660	0.000	1	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]2O)	109.8095	1.101	4	109.8095	1.211	4	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]2O)	112.3975	2.214	2	112.3975	4.902	2	110.6904	1.694	15	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	H(C[5]C[5]2O[5])	109.2550	0.000	1	109.2550	0.000	1	109.5647	0.116	3	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<2>,4|C<4>}	H(C[5]C[5]2O[5])	109.9290	0.000	1	109.9290	0.000	1	109.5647	0.116	3	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	109.5100	0.000	1	109.5100	0.000	1	109.5647	0.116	3	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]2S)	108.4993	0.734	3	108.4993	0.538	3	108.6807	0.290	7	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2S)	108.8167	0.404	4	108.8167	0.163	4	108.6807	0.290	7	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.9050	0.000	1	108.3282	1.323	4	108.3282	1.323	4	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	107.8027	0.571	3	108.3282	1.323	4	108.3282	1.323	4	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]O)	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H)	H(C[5]C[5]N[5]S[5])	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]S[5])	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	109.8390	0.000	1	112.5490	9.456	3	112.5490	9.456	3	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[6]O[5])	113.9040	2.810	2	112.5490	9.456	3	112.5490	9.456	3	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H){1|C<4>,2|C<3>,2|F<1>}	H(C[5]N[6a]C[5]O[5])	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H)	H(C[5]N[6a]C[5]O[5])	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[6a]C[5]O[5])	109.6245	0.234	2	109.6245	0.055	2	109.6245	0.055	2	110.0101	2.801	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:2:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5,5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)(CN)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)(CN)2{1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	107.8325	0.151	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:2:	4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[5,5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5,5]C[5]3)(CN)2	H(C[5]C[6a]C[5]S[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5,5]C[5]3)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|N<2>}	H(C[5]C[6a]C[5]S[5])	107.5580	0.000	1	107.5580	0.000	1	107.5580	0.000	1	107.8325	0.151	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	H(C[5]C[5]2O)	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	111.7050	0.000	1	111.7050	0.000	1	111.7050	0.000	1	111.7050	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2O)	108.2242	0.563	4	108.2242	0.317	4	108.2242	0.317	4	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O[5])	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2O[5])	105.9330	0.000	1	105.9330	0.000	1	108.7672	2.556	5	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2O[5])	109.8470	0.000	1	109.5980	0.124	2	108.7672	2.556	5	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2O[5])	109.3490	0.000	1	109.5980	0.124	2	108.7672	2.556	5	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2O[5])	109.3660	0.000	1	109.3660	0.000	1	108.7672	2.556	5	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	109.3410	0.000	1	109.3410	0.000	1	108.7672	2.556	5	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7879	0.337	9	109.7879	0.114	9	109.7879	0.114	9	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6930	0.000	1	108.6930	0.000	1	108.1975	0.491	2	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	107.7020	0.000	1	107.7020	0.000	1	108.1975	0.491	2	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9393	0.484	4	108.9329	0.135	14	108.9329	0.135	14	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9304	0.342	10	108.9329	0.135	14	108.9329	0.135	14	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]C)	108.6630	0.000	1	109.1962	0.092	5	109.1962	0.074	6	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]C)	109.3295	0.069	4	109.1962	0.092	5	109.1962	0.074	6	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]C)	109.1960	0.000	1	109.1960	0.000	1	109.1962	0.074	6	109.0894	0.662	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	106.4830	0.000	1	106.4830	0.000	1	107.6995	2.960	2	107.6995	2.960	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9160	0.000	1	108.9160	0.000	1	107.6995	2.960	2	107.6995	2.960	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:3:4:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	H(C[5]C[5]2O[5])	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5]2C)	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]2N)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2O)	112.2330	0.516	2	112.2330	0.266	2	110.7825	1.946	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.8810	0.000	1	109.8810	0.000	1	110.7825	1.946	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	H(C[5]C[5]2O)	111.3630	0.000	1	111.3630	0.000	1	110.7825	1.946	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	110.1170	0.000	1	110.1170	0.000	1	110.7825	1.946	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O)	108.8680	0.000	1	108.8680	0.000	1	110.7825	1.946	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O[5])	109.3390	0.000	1	108.4067	0.653	3	108.3698	0.287	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O[5])	107.9730	0.000	1	108.4067	0.653	3	108.3698	0.287	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O[5])	107.9080	0.000	1	108.4067	0.653	3	108.3698	0.287	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O[5])	108.3680	0.334	2	108.3680	0.111	2	108.3698	0.287	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2O[5])	108.2630	0.000	1	108.2630	0.000	1	108.3698	0.287	6	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	107.9430	0.110	2	107.9430	0.012	2	108.3093	0.409	3	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0420	0.000	1	109.0420	0.000	1	108.3093	0.409	3	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	H(C[5]C[5]N[5]O)	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	109.5682	3.760	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.8075	0.121	2	110.8075	0.015	2	110.7645	1.084	10	110.7645	1.084	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.4580	0.803	2	109.4580	0.645	2	110.7645	1.084	10	110.7645	1.084	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(C[5]C[5]2O)	112.6490	0.000	1	112.6490	0.000	1	110.7645	1.084	10	110.7645	1.084	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	110.1860	0.000	1	110.8783	0.679	4	110.7645	1.084	10	110.7645	1.084	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	111.1090	0.836	3	110.8783	0.679	4	110.7645	1.084	10	110.7645	1.084	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(C[5]C[5]2O)	110.9520	0.000	1	110.9520	0.000	1	110.7645	1.084	10	110.7645	1.084	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(CN)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(CN)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CH3)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	110.2915	4.917	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|O<1>}	H(C[5]C[5]2O)	109.2440	0.000	1	109.2440	0.000	1	110.1743	3.854	10	110.2915	4.917	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<4>,1|O<1>}	H(C[5]C[5]2O)	108.7980	0.000	1	108.7980	0.000	1	110.1743	3.854	10	110.2915	4.917	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(C[5]C[5]2O)	111.2338	2.377	5	111.2338	5.649	5	110.1743	3.854	10	110.2915	4.917	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(C[5]C[5]2O)	109.5010	0.328	2	109.5010	0.108	2	110.1743	3.854	10	110.2915	4.917	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(C[5]C[5]2O)	108.5300	0.000	1	108.5300	0.000	1	110.1743	3.854	10	110.2915	4.917	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:2:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]O)	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	110.2915	4.917	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	H(C[5]C[5]2C)	108.2590	0.070	3	108.2590	0.005	3	108.2590	0.005	3	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	110.2090	0.194	2	110.2090	0.038	2	110.2090	0.038	2	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	H(C[5]C[5]2C)	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H)	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H){1|S<4>,3|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2N)	109.0660	0.000	1	109.2145	0.044	2	109.2145	0.044	2	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2N)	109.3630	0.000	1	109.2145	0.044	2	109.2145	0.044	2	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.7145	0.060	2	109.7145	0.004	2	109.7145	0.004	2	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H){5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	110.5780	0.069	2	110.5780	0.005	2	110.5780	0.005	2	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.6095	0.936	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	H(C[5]C[5,6a]C[5]2)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	H(C[5]C[5,6a]C[5]2)	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:4:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3)	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2N)	107.3475	0.418	2	107.3475	0.175	2	107.3475	0.175	2	108.1710	2.122	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:3:4:4:	4:	C[5]-4:N[5a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	H(C[5]N[5a]C[5]N[5])	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,2|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	H(C[5]N[5a]C[5]N[5])	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	108.1710	2.122	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<2>,2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.6080	0.000	1	110.6080	0.000	1	109.0347	1.899	3	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	108.2480	0.293	2	108.2480	0.086	2	109.0347	1.899	3	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	111.5680	0.000	1	111.5680	0.000	1	111.5295	0.003	2	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]O)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	111.4910	0.000	1	111.4910	0.000	1	111.5295	0.003	2	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5]2N[5])	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4100	0.000	1	109.4942	0.153	4	109.5532	0.132	5	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0560	0.000	1	109.4942	0.153	4	109.5532	0.132	5	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2555	0.148	2	109.4942	0.153	4	109.5532	0.132	5	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7890	0.000	1	109.7890	0.000	1	109.5532	0.132	5	109.5244	1.151	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	111.0700	0.000	1	111.0700	0.000	1	109.7985	3.233	2	108.9879	8.603	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.5270	0.000	1	108.5270	0.000	1	109.7985	3.233	2	108.9879	8.603	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	102.5940	0.000	1	102.5940	0.000	1	102.5940	0.000	1	108.9879	8.603	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	108.9879	8.603	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	108.9879	8.603	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H){1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.9910	0.000	1	109.9910	0.000	1	109.9745	0.001	2	108.9879	8.603	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H){1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9580	0.000	1	109.9580	0.000	1	109.9745	0.001	2	108.9879	8.603	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-3:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2{1|C<4>,3|C<3>}	H(C[5]C[5]2C)	109.6970	0.068	2	109.6970	0.005	2	109.6970	0.005	2	109.3186	0.238	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.2346	0.504	9	109.2346	0.254	9	109.2346	0.254	9	109.3186	0.238	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|S<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]C)(CC[6a]O)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]C)(CC[6a]O)(H){3|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2C)	111.9955	0.320	2	111.9955	0.103	2	111.9955	0.103	2	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.9320	0.000	1	109.9320	0.000	1	109.7065	0.102	2	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H){1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.4810	0.000	1	109.4810	0.000	1	109.7065	0.102	2	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.6070	0.000	1	108.6070	0.000	1	109.2893	0.414	6	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|S<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.4258	0.615	5	109.4258	0.378	5	109.2893	0.414	6	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	H(C[5]C[6a]C[5]2)	92.2036	0.000	1	99.6928	112.176	2	99.6928	112.176	2	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.1820	0.000	1	99.6928	112.176	2	99.6928	112.176	2	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	H(C[5]C[6a]C[5]2)	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2N)	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2N)	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H){2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2N)	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2N)	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[4,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	C[5](N[4,5]C[4,5]C[4])(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:B[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H)	H(C[5]B[5]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[5]B[5]C[5]N[5])	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8310	0.000	1	108.8310	0.000	1	109.9835	0.390	6	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.7010	0.000	1	109.7010	0.000	1	109.9835	0.390	6	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.4050	0.049	2	110.4050	0.002	2	109.9835	0.390	6	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){6|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.2150	0.000	1	110.2150	0.000	1	109.9835	0.390	6	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.3440	0.000	1	110.3440	0.000	1	109.9835	0.390	6	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.3850	0.000	1	109.3850	0.000	1	109.5065	0.030	2	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.6280	0.000	1	109.6280	0.000	1	109.5065	0.030	2	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H){1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5]C[5]2N[5])	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6370	0.000	1	109.6370	0.000	1	109.2384	0.325	7	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6807	0.338	3	108.8680	0.216	4	109.2384	0.325	7	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4300	0.000	1	108.8680	0.216	4	109.2384	0.325	7	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7800	0.089	2	109.7800	0.008	2	109.2384	0.325	7	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	108.9166	8.416	40	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.8695	0.224	2	107.8695	0.050	2	109.0452	2.488	5	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN){4|C<3>}	H(C[5]C[5]2C)	110.7580	0.339	2	110.7580	0.115	2	109.0452	2.488	5	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.9710	0.000	1	107.9710	0.000	1	109.0452	2.488	5	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[5]C[5]2N[5])	109.4400	0.000	1	110.3420	0.626	3	110.3420	0.626	3	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2N[5])	110.9200	0.000	1	110.3420	0.626	3	110.3420	0.626	3	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2N[5])	110.6660	0.000	1	110.3420	0.626	3	110.3420	0.626	3	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	107.6680	0.630	3	107.6680	0.396	3	107.6680	0.396	3	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	105.4430	0.578	2	105.4430	0.335	2	105.0115	0.919	4	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	104.5800	1.295	2	104.5800	1.678	2	105.0115	0.919	4	108.0079	4.894	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	108.3167	1.182	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4540	0.000	1	109.4540	0.000	1	108.6580	0.612	3	108.3167	1.182	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2600	0.523	2	108.2600	0.274	2	108.6580	0.612	3	108.3167	1.182	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4390	0.000	1	109.4390	0.000	1	107.7683	2.115	3	108.3167	1.182	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	106.9330	0.209	2	106.9330	0.044	2	107.7683	2.115	3	108.3167	1.182	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2C)	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H){2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.8880	0.000	1	107.8880	0.000	1	108.6965	1.307	2	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CCO)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CCO)(H){2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	109.5050	0.000	1	109.5050	0.000	1	108.6965	1.307	2	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.5420	0.000	1	109.5420	0.000	1	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	111.5100	0.940	2	110.6280	1.111	6	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.1870	0.882	4	110.6280	1.111	6	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H){1|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.7000	0.000	1	109.7000	0.000	1	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.2560	0.000	1	109.2560	0.000	1	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H){2|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.8185	1.483	2	108.8185	2.199	2	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.6040	0.000	1	109.6040	0.000	1	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7330	0.000	1	108.7330	0.000	1	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.7940	0.000	1	108.7940	0.000	1	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.6530	2.418	3	109.6530	5.846	3	109.7643	1.756	17	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2N)	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	H(C[5]C[5]2N)	109.1380	0.000	1	109.1380	0.000	1	108.2297	0.667	4	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2N)	108.3120	0.110	2	108.3120	0.012	2	108.2297	0.667	4	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2N)	107.1570	0.000	1	107.1570	0.000	1	108.2297	0.667	4	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H)	H(C[5]C[5]2N)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H){1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2N)	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H){1|Fe<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5]C[6]N[5])	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.4930	0.034	2	108.4930	0.001	2	108.4930	0.001	2	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	108.3418	0.532	5	108.3418	0.283	5	108.6537	0.474	7	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.3540	0.000	1	109.3540	0.000	1	108.6537	0.474	7	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.5130	0.000	1	109.5130	0.000	1	108.6537	0.474	7	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.4444	0.411	8	110.4730	0.155	9	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.7020	0.000	1	110.4730	0.155	9	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.5610	0.277	2	109.5610	0.077	2	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.1660	0.000	1	109.6423	0.458	3	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.8805	0.759	2	109.6423	0.458	3	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8000	0.000	1	108.8000	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	108.2240	0.000	1	108.2240	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.7440	0.000	1	108.7440	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8230	0.500	3	109.6012	1.260	9	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.6282	0.406	4	109.6012	1.260	9	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	108.7145	1.214	2	109.6012	1.260	9	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.7900	0.000	1	109.6045	0.658	8	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.4351	0.707	7	109.6045	0.658	8	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.7815	1.432	2	109.7815	2.050	2	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.0600	0.000	1	109.0600	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.1480	0.000	1	110.1480	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.4100	0.000	1	109.2668	0.649	4	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.6560	0.134	2	109.2668	0.649	4	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.3450	0.000	1	109.2668	0.649	4	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8890	0.000	1	109.8890	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.4440	0.000	1	110.1370	0.188	2	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8300	0.000	1	110.1370	0.188	2	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.4780	0.000	1	108.4780	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.7640	0.000	1	110.7640	0.000	1	109.7141	0.761	47	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]N[5]C)	110.1970	0.000	1	110.1970	0.000	1	110.3575	0.052	2	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]N[5]C)	110.5180	0.000	1	110.5180	0.000	1	110.3575	0.052	2	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,2|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8880	0.150	2	108.8880	0.022	2	108.9865	0.290	6	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0357	0.683	4	109.0357	0.466	4	108.9865	0.290	6	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	109.4500	1.069	97	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:3:	4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	H(C[5]C[5]3)	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	108.5160	0.661	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5]H)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CC)(N[5]C[5]H)(COO)(H){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	108.5160	0.661	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(NC[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(NC[6a]H)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2N)	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.3375	0.022	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3){3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.3375	0.022	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7120	0.000	1	107.7120	0.000	1	108.7717	0.524	8	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H){1|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2C)	110.2360	0.000	1	110.2360	0.000	1	108.7717	0.524	8	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.7043	0.274	6	108.7043	0.075	6	108.7717	0.524	8	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(S[5]N[5])(H)2	H(C[5]C[5]2N)	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H){1|C<4>}	C[5](C[5]C[5]HN)(S[5]N[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2N)	107.8730	0.033	2	107.8730	0.001	2	107.8730	0.001	2	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7490	0.133	3	110.0840	0.224	5	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.5865	0.136	2	110.0840	0.224	5	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.4640	0.000	1	110.4640	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	108.9760	0.000	1	108.9760	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.8440	0.000	1	110.8440	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.3540	0.000	1	109.3540	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CNO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2273	0.338	3	110.2273	0.114	3	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(COO)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]N[5]C)	108.7150	3.355	2	108.7150	11.253	2	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(COO)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.8480	0.000	1	109.8480	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]N[5]C)	110.8280	0.000	1	110.8280	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	106.9820	0.000	1	106.9820	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]N[5]C)	110.1350	0.960	2	110.1350	0.922	2	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H)	C[5](C[5]N[5]CH)(O[5]S[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H){2|O<1>}	C[5](C[5]N[5]CH)(O[5]S[5])(H)2{1|C<4>,2|O<1>}	H(C[5]C[5]N[5]C)	108.9740	0.000	1	108.9740	0.000	1	109.7536	1.520	20	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	107.0190	0.000	1	107.0190	0.000	1	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H){1|O<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7070	0.000	1	109.7070	0.000	1	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H){2|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.5630	0.082	2	110.5630	0.007	2	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.6218	1.117	10	109.8419	3.493	17	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	111.5850	1.190	7	109.8419	3.493	17	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8840	0.000	1	109.6403	0.652	3	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|N<3>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]C)	109.5460	0.000	1	109.6403	0.652	3	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]C)	110.4910	0.000	1	109.6403	0.652	3	109.7536	2.876	24	109.5385	2.094	54	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:2:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2N)	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	H(C[5]C[5]2N)	107.9490	1.905	2	107.9490	3.629	2	107.9490	3.629	2	107.9490	3.629	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]3)	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	H(C[5]C[5]2C)	110.5505	0.790	2	110.5505	0.624	2	110.5505	0.624	2	110.0710	1.208	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CNO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.0050	0.000	1	109.0050	0.000	1	109.9340	1.408	7	110.0710	1.208	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.8230	0.000	1	109.8230	0.000	1	109.9340	1.408	7	110.0710	1.208	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCC)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	107.7830	0.000	1	107.7830	0.000	1	109.9340	1.408	7	110.0710	1.208	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(COS)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	111.2200	0.000	1	111.2200	0.000	1	109.9340	1.408	7	110.0710	1.208	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]Ru)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]Ru)(COO)(H){1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,1|H<1>}	H(C[5]C[5]N[5]C)	110.6405	0.230	2	110.6405	0.053	2	109.9340	1.408	7	110.0710	1.208	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H){2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.4260	0.000	1	110.4260	0.000	1	109.9340	1.408	7	110.0710	1.208	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2C)	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.5592	0.985	4	108.5592	0.970	4	109.1060	0.877	13	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.6640	0.178	2	109.4496	0.737	8	109.1060	0.877	13	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.3782	1.001	6	109.4496	0.737	8	109.1060	0.877	13	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H){1|C<3>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.5440	0.000	1	108.5440	0.000	1	109.1060	0.877	13	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H){1|C<3>,1|C<4>,2|O<1>,2|O<2>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]3)	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2N)	105.2890	0.000	1	108.2007	4.675	4	108.2007	4.675	4	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2N)	109.1713	1.167	3	108.2007	4.675	4	108.2007	4.675	4	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H){1|H<1>,2|C<3>,3|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	113.5820	0.000	1	113.5820	0.000	1	111.5215	8.491	2	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2N[5])	109.4610	0.000	1	109.4610	0.000	1	111.5215	8.491	2	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9930	0.000	1	109.9930	0.000	1	110.5400	0.711	5	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.8935	0.118	2	109.8935	0.014	2	110.5400	0.711	5	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CNO)(H)	C[5](C[5]N[5]CH)(C[5]N[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CNO)(H){1|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]H)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	111.4400	0.000	1	111.4400	0.000	1	110.5400	0.711	5	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	111.4800	0.000	1	111.4800	0.000	1	110.5400	0.711	5	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2220	0.260	2	110.2220	0.068	2	110.2840	0.674	6	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H){2|C<3>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]C)	111.6160	0.000	1	111.6160	0.000	1	110.2840	0.674	6	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2960	0.058	2	110.2960	0.003	2	110.2840	0.674	6	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]S[5]H)(COO)(H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]S[5]H)(COO)(H){1|C<4>,2|O<1>}	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2{1|H<1>,2|O<1>}	H(C[5]C[5]N[5]C)	109.0520	0.000	1	109.0520	0.000	1	110.2840	0.674	6	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	109.5714	2.068	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2930	0.209	4	109.2930	0.044	4	109.5334	0.404	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2340	0.000	1	110.2340	0.000	1	109.5334	0.404	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5410	0.000	1	109.6640	1.538	2	109.5334	0.404	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7870	0.000	1	109.6640	1.538	2	109.5334	0.404	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1160	0.000	1	109.0240	0.017	2	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9320	0.000	1	109.0240	0.017	2	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7698	0.270	4	108.9140	0.159	5	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4910	0.000	1	108.9140	0.159	5	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7125	1.562	2	109.7125	2.440	2	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.6810	0.000	1	106.6810	0.000	1	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9600	0.000	1	109.9600	0.000	1	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.2617	0.968	3	107.2617	0.937	3	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7420	0.000	1	108.7420	0.000	1	108.6141	1.373	15	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7790	0.000	1	109.7790	0.000	1	109.3951	2.064	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4950	0.000	1	109.4950	0.000	1	109.3951	2.064	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0293	0.533	3	110.0293	0.284	3	109.3951	2.064	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1520	0.000	1	110.1520	0.000	1	109.3951	2.064	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.2520	0.000	1	106.2520	0.000	1	109.3951	2.064	7	109.2423	2.068	32	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	108.5140	2.785	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:2:4:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	108.5140	2.785	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]CH)(N[5]N[5]H)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]N[5]C)(COO)(H){1|H<1>}	C[5](C[5]C[5]CH)(N[5]N[5]H)(COO)(H){1|C<3>}	H(C[5]C[5]2C)	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	106.6665	0.257	2	106.6665	0.066	2	106.6665	0.066	2	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[5]C[5]2N[6])	107.2925	0.531	2	107.2925	0.282	2	107.2925	0.282	2	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:S-3:H-1:	C[5]-4:C[5]-3:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]O)(SFe2)(H)	C[5](C[5]C[5]HS)(C[5]N[5]O)(SFe2)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HS)(C[5]N[5]O)(SFe2)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HS)(C[5]N[5]O)(SFe2)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2S)	109.0935	0.349	2	109.0935	0.122	2	109.0935	0.122	2	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.1787	0.265	3	108.0648	0.099	4	108.0648	0.099	4	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.7230	0.000	1	108.0648	0.099	4	108.0648	0.099	4	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9395	0.506	2	108.9395	0.256	2	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0087	0.296	6	109.7153	3.157	16	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1705	0.110	2	109.7153	3.157	16	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3650	0.296	2	109.7153	3.157	16	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	114.2020	0.512	2	109.7153	3.157	16	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9795	0.315	4	109.7153	3.157	16	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0430	0.000	1	108.0430	0.000	1	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4525	0.385	4	109.2498	0.364	11	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1170	0.340	3	109.2498	0.364	11	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1467	0.950	4	109.2498	0.364	11	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ir<8>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0820	0.000	2	110.0820	0.000	2	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8770	0.000	1	108.8770	0.000	1	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ir<8>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3410	0.000	2	108.3410	0.000	2	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2655	0.597	6	108.9729	0.635	8	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0950	0.779	2	108.9729	0.635	8	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7330	0.000	1	108.7330	0.000	1	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ru<9>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4010	0.000	1	108.4010	0.000	1	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5597	0.320	6	109.5710	0.074	8	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6050	0.014	2	109.5710	0.074	8	109.3268	1.281	53	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8310	0.709	4	108.8310	0.503	4	109.4382	1.212	8	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0455	1.159	4	110.0455	1.342	4	109.4382	1.212	8	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]H)(COO)(H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]H)(COO)(H){1|C<3>}	C[5](C[5]N[5]CH)(C[5]N[5]C)(COO)(H){1|H<1>}	H(C[5]C[5]N[5]C)	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.5820	0.000	1	110.5820	0.000	1	109.8430	1.092	2	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1040	0.000	1	109.1040	0.000	1	109.8430	1.092	2	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7267	0.425	4	109.7267	0.181	4	109.5514	0.193	8	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3760	0.432	4	109.3760	0.187	4	109.5514	0.193	8	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2240	0.000	1	108.2240	0.000	1	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4560	0.267	2	109.4560	0.071	2	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6380	0.000	1	109.4790	0.051	2	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3200	0.000	1	109.4790	0.051	2	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5650	0.000	1	108.5650	0.000	1	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4455	0.278	4	109.0411	1.019	19	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6167	1.004	4	109.0411	1.019	19	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0030	0.952	6	109.0411	1.019	19	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7026	0.759	5	109.0411	1.019	19	109.0576	0.837	25	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H)	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H)	H(C[5]C[5]N[5]2)	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H){4|C<4>,4|H<1>}	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H){4|C<4>,4|H<1>}	H(C[5]C[5]N[5]2)	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.1819	1.204	109	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:2:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.8350	0.000	1	105.8350	0.000	1	105.8350	0.000	1	107.9272	3.567	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Ni<4>,1|C<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9195	0.340	2	109.9195	0.116	2	109.9195	0.116	2	107.9272	3.567	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:2:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5])	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5]){4|H<1>,9|C<3>}	H(C[5]C[6a]C[5]N[5])	106.9810	0.212	2	106.9810	0.045	2	106.9810	0.045	2	107.9272	3.567	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:3:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	106.4430	0.540	2	106.4430	0.292	2	106.4430	0.292	2	108.4630	4.165	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:3:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	108.4630	4.165	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	108.4630	4.165	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3780	2.019	2	110.3780	4.078	2	110.3780	4.078	2	108.4630	4.165	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H){5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]2C)	107.2240	0.000	1	107.2240	0.000	1	108.5427	1.712	4	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H){2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.3650	0.728	2	108.3650	0.530	2	108.5427	1.712	4	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	110.2170	0.000	1	110.2170	0.000	1	108.5427	1.712	4	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.1870	0.000	1	109.1870	0.000	1	110.7627	3.546	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]2C)	110.2530	0.000	1	111.5505	3.367	2	110.7627	3.546	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5]2C)	112.8480	0.000	1	111.5505	3.367	2	110.7627	3.546	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	106.4670	0.840	2	106.4670	0.706	2	108.0933	2.020	7	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CN[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CN[5]O)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	109.5660	0.000	1	109.5660	0.000	1	108.0933	2.020	7	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.1220	0.737	3	108.1220	0.543	3	108.0933	2.020	7	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){1|C<3>}	H(C[5]C[5]2C)	109.7870	0.000	1	109.7870	0.000	1	108.0933	2.020	7	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.3120	0.000	1	108.3120	0.000	1	109.1143	1.518	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){1|O<2>,4|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2C)	110.5330	0.000	1	110.5330	0.000	1	109.1143	1.518	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5]2C)	108.4980	0.000	1	108.4980	0.000	1	109.1143	1.518	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C[6])	107.5367	0.323	3	107.5367	0.105	3	107.5367	0.105	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H){5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5]2N)	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H)	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H){1|Cd<6>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]C[6]N[5])	98.3632	0.000	1	98.3632	0.000	1	98.3632	0.000	1	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	H(C[5]C[6a]C[5]2)	108.4695	0.723	2	108.4695	0.523	2	108.4695	0.523	2	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.1170	0.000	2	107.8457	0.221	3	107.9655	0.867	6	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.3030	0.000	1	107.8457	0.221	3	107.9655	0.867	6	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.9170	0.000	1	108.2625	3.621	2	107.9655	0.867	6	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.6080	0.000	1	108.2625	3.621	2	107.9655	0.867	6	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.7310	0.000	1	107.7310	0.000	1	107.9655	0.867	6	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.0600	0.000	1	108.0600	0.000	1	108.0600	0.000	1	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	107.6730	0.561	3	107.6730	0.315	3	109.0891	2.106	9	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,2|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	110.8050	0.000	1	110.8050	0.000	1	109.0891	2.106	9	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.7220	0.000	1	110.7220	0.000	1	109.0891	2.106	9	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	107.5030	0.000	1	109.3140	1.462	4	109.0891	2.106	9	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.9177	0.080	3	109.3140	1.462	4	109.0891	2.106	9	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	110.2883	0.790	3	110.2883	0.624	3	110.2883	0.624	3	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CC[6a]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CC[6a]O)(H){2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H){1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	111.0340	0.000	1	111.0340	0.000	1	111.3685	0.224	2	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.7030	0.000	1	111.7030	0.000	1	111.3685	0.224	2	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.3140	0.000	1	109.3140	0.000	1	109.7075	0.310	2	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	110.1010	0.000	1	110.1010	0.000	1	109.7075	0.310	2	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.4990	0.160	5	110.4990	0.026	5	110.1283	0.433	7	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4110	0.000	1	109.4110	0.000	1	110.1283	0.433	7	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H){1|C<4>,2|O<1>}	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H){1|C<4>,2|O<1>}	H(C[5]C[5]N[5]C)	108.9920	0.000	1	108.9920	0.000	1	110.1283	0.433	7	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3830	0.000	1	109.1605	0.099	2	109.1605	0.099	2	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9380	0.000	1	109.1605	0.099	2	109.1605	0.099	2	108.8291	3.834	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	109.1703	0.158	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9440	0.000	1	108.9440	0.000	1	109.3142	0.036	9	109.1703	0.158	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3605	0.139	8	109.3605	0.019	8	109.3142	0.036	9	109.1703	0.158	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4220	0.000	1	109.4220	0.000	1	108.9110	0.522	2	109.1703	0.158	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4000	0.000	1	108.4000	0.000	1	108.9110	0.522	2	109.1703	0.158	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	108.4255	2.943	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2345	1.514	2	109.2345	2.292	2	108.9402	1.692	5	108.4255	2.943	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5150	0.000	1	109.5150	0.000	1	108.9402	1.692	5	108.4255	2.943	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	107.0750	0.000	1	108.3585	3.295	2	108.9402	1.692	5	108.4255	2.943	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6420	0.000	1	108.3585	3.295	2	108.9402	1.692	5	108.4255	2.943	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2N[5])	104.6570	0.000	1	104.6570	0.000	1	104.6570	0.000	1	106.0583	9.945	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.5253	3.689	3	106.5253	13.609	3	106.5253	13.609	3	106.0583	9.945	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:B[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H)	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]B[5]C[5]N[5])	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[5]B[5]C[5]N[5])	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	113.6360	0.000	1	113.6360	0.000	1	113.6360	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(COO)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(COO)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H){3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2C)	109.1085	0.190	2	109.1085	0.036	2	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7885	0.950	2	107.7885	0.902	2	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>,2|S<4>}	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.3750	0.000	1	109.3750	0.000	1	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.1590	0.000	1	110.1590	0.000	1	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	110.2155	0.214	2	110.2155	0.046	2	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(H){1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2C)	110.2770	0.000	1	110.2770	0.000	1	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	116.0130	0.000	1	116.0130	0.000	1	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.5225	0.180	2	107.5225	0.033	2	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.4040	0.512	2	109.4040	0.262	2	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CN[5a]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CN[5a]O)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.8640	0.000	1	108.8640	0.000	1	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	H(C[5]C[5]2C)	110.2800	0.000	1	110.2800	0.000	1	109.5654	4.048	16	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]3)	109.0357	0.073	3	109.0357	0.005	3	109.0357	0.005	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5a]C[5]2)	108.7827	0.594	3	108.7827	0.353	3	108.7827	0.353	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2N)	109.2260	0.219	2	109.2260	0.048	2	109.2260	0.048	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2N)	106.7750	0.000	1	106.7750	0.000	1	107.5515	1.206	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.3280	0.000	1	108.3280	0.000	1	107.5515	1.206	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2N)	108.7450	0.000	1	108.7450	0.000	1	109.2560	0.522	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H){1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]2N)	109.7670	0.000	1	109.7670	0.000	1	109.2560	0.522	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]2N)	109.8990	0.000	1	109.8990	0.000	1	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N)	108.7560	0.000	1	108.7560	0.000	1	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>}	H(C[5]C[5]2N)	109.2430	0.000	1	109.2430	0.000	1	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2N)	107.4310	0.000	1	107.4310	0.000	1	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H){2|C<4>}	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2N)	107.9440	0.259	2	107.9440	0.067	2	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2N)	108.6280	0.204	2	108.6280	0.041	2	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NC[6a]H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NC[6a]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2N)	110.0390	0.000	1	110.0390	0.000	1	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHN)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHN)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2N)	112.1580	0.000	1	112.1580	0.000	1	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHS)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2N)	109.5650	0.000	1	109.5650	0.000	1	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2N)	107.7625	0.441	2	107.7625	0.194	2	108.9046	1.710	13	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H)	C[5](C[5]C[5]HN)(S[5]C[5]OO)(H)2	H(C[5]C[5]2N)	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H){1|Br<1>,2|O<1>}	C[5](C[5]C[5]HN)(S[5]C[5]OO)(H)2{1|Br<1>,1|C<4>}	H(C[5]C[5]2N)	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5]2N[5])	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2N[5])	108.3580	0.000	1	108.3580	0.000	1	108.1953	0.138	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H){2|C<4>,2|O<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	108.1140	0.486	2	108.1140	0.237	2	108.1953	0.138	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	109.5120	0.000	1	109.5120	0.000	1	108.9342	0.626	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]2N[5])	109.1970	0.231	3	109.1970	0.053	3	108.9342	0.626	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2N[5])	109.1310	0.000	1	109.1310	0.000	1	108.9342	0.626	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]O)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]S[5]O)(N[5]C[5]2)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2N[5])	107.3710	0.000	1	107.3710	0.000	1	108.9342	0.626	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H){1|S<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|H<1>,1|O<1>,1|S<3>}	H(C[5]C[5]2S)	110.7560	0.140	2	110.7560	0.020	2	110.7560	0.020	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]C[6]N[5])	109.0680	0.403	3	108.5365	1.238	4	108.5365	1.238	4	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]C[6]N[5])	106.9420	0.000	1	108.5365	1.238	4	108.5365	1.238	4	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0898	0.200	5	109.0898	0.040	5	108.7310	0.508	10	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.1150	0.000	1	107.1150	0.000	1	108.7310	0.508	10	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<4>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0720	0.570	2	109.0720	0.325	2	108.7310	0.508	10	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2{2|C<4>,2|H<1>,2|S<4>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3010	0.484	2	108.3010	0.234	2	108.7310	0.508	10	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1145	0.186	2	109.2325	0.032	4	109.2112	0.195	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3505	0.069	2	109.2325	0.032	4	109.2112	0.195	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8290	0.000	1	109.8290	0.000	1	109.2112	0.195	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5080	0.000	1	108.5080	0.000	1	109.2112	0.195	6	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4500	0.000	1	110.4500	0.000	1	110.4655	0.000	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H){1|S<4>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4810	0.000	1	110.4810	0.000	1	110.4655	0.000	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:B-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2	H(C[5]C[5]N[5]B)	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]B)	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H)	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H){1|H<1>,1|N<2>,2|C<4>}	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.5270	0.000	1	110.5270	0.000	1	109.2940	1.141	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	108.6570	0.000	1	108.6570	0.000	1	109.2940	1.141	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	108.6980	0.000	1	108.6980	0.000	1	109.2940	1.141	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4280	0.000	1	109.4280	0.000	1	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	110.2660	0.000	1	110.2660	0.000	1	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]C)	112.7940	0.000	1	111.2745	4.618	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7550	0.000	1	111.2745	4.618	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|N<2>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,5|C<3>}	H(C[5]C[5]N[5]C)	110.4950	0.242	2	110.4950	0.058	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3930	0.198	2	110.3930	0.039	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5]N[5]C)	110.8020	0.000	1	110.8020	0.000	1	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	110.1800	0.000	1	109.3863	0.580	3	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	108.9895	0.465	2	109.3863	0.580	3	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.3865	0.230	2	108.3865	0.053	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	H(C[5]C[5]N[5]C)	110.5500	0.000	1	110.5500	0.000	1	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0210	0.199	2	109.0210	0.040	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	110.8990	0.000	1	110.8990	0.000	1	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	110.2140	0.052	2	110.2140	0.003	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0060	0.000	1	109.0060	0.000	1	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.1980	0.000	1	110.1980	0.000	1	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H)	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]C)	109.9170	0.000	1	110.0560	0.039	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H)	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]C)	110.1950	0.000	1	110.0560	0.039	2	109.9578	0.937	24	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2430	0.396	2	110.2430	0.157	2	110.2373	0.078	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	110.2260	0.000	1	110.2260	0.000	1	110.2373	0.078	3	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0970	0.000	1	109.9974	0.241	9	110.2199	1.540	14	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.5380	0.000	1	109.9974	0.241	9	110.2199	1.540	14	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9060	0.511	7	109.9974	0.241	9	110.2199	1.540	14	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5975	0.121	2	109.7810	0.108	3	110.2199	1.540	14	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	110.1480	0.000	1	109.7810	0.108	3	110.2199	1.540	14	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]C)	114.2610	0.000	1	114.2610	0.000	1	110.2199	1.540	14	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4970	0.000	1	109.4970	0.000	1	110.2199	1.540	14	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.8600	0.000	1	110.8600	0.000	1	110.0746	0.272	8	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7512	0.266	4	109.7512	0.071	4	110.0746	0.272	8	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2440	0.535	3	110.2440	0.286	3	110.0746	0.272	8	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.7750	0.000	1	108.7750	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]C)	111.2860	0.000	1	111.4868	0.308	5	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.5370	0.627	4	111.4868	0.308	5	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.7990	0.000	1	110.7990	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.5505	0.213	2	110.5505	0.045	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	112.0650	0.000	1	110.0568	1.560	198	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5453	0.518	3	110.0568	1.560	198	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1388	1.281	174	110.0568	1.560	198	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3194	0.564	20	110.0568	1.560	198	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0124	0.969	14	110.0124	0.939	14	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.3080	0.000	2	110.3080	0.000	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.3485	1.723	4	110.3485	2.968	4	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.3256	1.030	17	111.3256	1.060	17	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.6233	0.839	3	109.7160	0.503	4	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9940	0.000	1	109.7160	0.503	4	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[5]C[5]N[5]C)	109.8515	1.411	2	109.6702	0.691	5	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8415	0.390	2	109.6702	0.691	5	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.9650	0.000	1	109.6702	0.691	5	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.7130	0.000	1	109.7130	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.9780	0.000	1	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>}	H(C[5]C[5]N[5]C)	113.1820	0.000	1	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.8000	0.000	1	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.0408	0.278	5	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	111.4172	2.619	8	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.6600	0.000	1	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]N[5]C)	108.0960	0.000	1	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.6865	0.363	2	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	111.6812	1.595	5	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	112.8960	0.000	1	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7393	3.758	45	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7597	0.311	3	110.1822	10.088	74	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	111.2030	0.000	1	110.6880	2.320	3	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.4305	2.060	2	110.6880	2.320	3	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1560	0.207	4	110.2103	1.307	37	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.3381	1.145	33	110.2103	1.307	37	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|O<1>}	H(C[5]C[5]N[5]C)	108.1540	0.000	1	108.3375	0.067	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5210	0.000	1	108.3375	0.067	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.3023	0.686	3	110.1988	2.542	9	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]N[5]C)	110.1470	1.967	6	110.1988	2.542	9	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4620	0.000	1	108.4620	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	112.0000	1.433	2	112.0000	2.052	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7600	0.000	1	109.1180	0.784	3	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7970	0.974	2	109.1180	0.784	3	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.0950	0.000	1	109.5757	1.019	50	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5745	1.026	48	109.5757	1.019	50	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]N[5]C)	110.1160	0.000	1	109.5757	1.019	50	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	112.8440	0.000	1	112.8440	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.2690	0.000	1	111.2690	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.0430	0.000	1	109.0430	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	108.6470	0.000	1	108.6470	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9420	0.404	2	108.9420	0.164	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.5430	0.000	1	110.5430	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9200	0.000	1	108.9200	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.9970	0.987	2	109.5667	0.844	4	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.7760	0.000	1	109.5667	0.844	4	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4970	0.000	1	109.5667	0.844	4	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.5710	0.000	1	109.6175	0.004	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.6640	0.000	1	109.6175	0.004	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.9090	0.000	1	109.9090	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2899	0.766	14	110.2899	0.587	14	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.0472	0.370	5	111.0472	0.137	5	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	110.3420	0.023	2	110.3420	0.001	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7500	0.000	1	108.7500	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.6197	0.661	3	110.6197	0.438	3	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H)	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H){3|C<3>}	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2{2|C<3>}	H(C[5]C[5]N[5]C)	108.4070	0.000	1	108.4070	0.000	1	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CNO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CNO)(H){1|H<1>,1|O<2>}	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	109.3790	0.559	2	109.3790	0.312	2	110.0956	2.788	478	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H){2|C<4>,2|H<1>}	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3445	0.631	2	109.3445	0.399	2	109.3445	0.399	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]N)	110.1020	0.356	2	110.1020	0.127	2	110.1602	0.148	4	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]N)	110.2185	0.551	2	110.2185	0.303	2	110.1602	0.148	4	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:N[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2	H(C[5]N[6a]C[5]2)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[5]N[6a]C[5]2)	108.5030	0.175	2	108.5030	0.031	2	108.5030	0.031	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:1:1:	4:	C[5]-4:P-3:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2P)	111.5515	3.630	2	111.5515	13.174	2	111.5515	13.174	2	109.9484	2.610	627	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[3x6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H){2|C<3>,3|C<4>}	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]2C)	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(COO)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]O)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]O[5]O)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2C)	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]3)	109.8575	0.545	4	109.8728	0.224	5	109.8728	0.224	5	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5]3)	109.9340	0.000	1	109.8728	0.224	5	109.8728	0.224	5	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	H(C[5]C[5]2N)	108.6910	0.000	1	108.6910	0.000	1	108.2918	0.615	5	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2N)	108.6850	0.000	1	108.6850	0.000	1	108.2918	0.615	5	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]2N)	109.1640	0.000	1	109.1640	0.000	1	108.2918	0.615	5	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2N)	107.4595	0.039	2	107.4595	0.002	2	108.2918	0.615	5	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[4,5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2755	1.684	2	108.2755	2.835	2	108.2755	2.835	2	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H){1|H<1>,1|N<3>,3|O<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	103.7130	0.000	1	103.7130	0.000	1	103.7130	0.000	1	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.2610	0.000	1	109.2610	0.000	1	109.7228	0.159	6	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5270	0.477	2	109.5270	0.227	2	109.7228	0.159	6	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0270	0.000	1	110.0270	0.000	1	109.7228	0.159	6	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8710	0.000	1	109.8710	0.000	1	109.7228	0.159	6	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.1240	0.000	1	110.1240	0.000	1	109.7228	0.159	6	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H)	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	109.1354	2.241	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:2:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC){2|H<1>}	H(C[5]C[5]2C)	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	109.4070	0.958	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:2:2:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(CN)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9880	0.326	4	108.9880	0.106	4	108.9880	0.106	4	109.4070	0.958	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(CC[6a]O)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.5200	0.000	1	109.5200	0.000	1	108.8535	0.888	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(COO)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(COO)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.1870	0.000	1	108.1870	0.000	1	108.8535	0.888	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5]2C)	109.4130	0.000	1	109.4130	0.000	1	109.3320	0.013	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){3|C<3>}	H(C[5]C[5]2C)	109.2510	0.000	1	109.2510	0.000	1	109.3320	0.013	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H){2|H<1>}	H(C[5]C[5]2C)	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[5]C[5]2C[6])	107.9820	0.000	1	107.8070	0.061	2	107.8070	0.061	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	107.6320	0.000	1	107.8070	0.061	2	107.8070	0.061	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|N<3>,2|O<1>}	H(C[5]C[5]2N)	107.3530	0.000	1	107.8330	0.461	2	107.8330	0.461	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|O<1>,2|O<2>}	H(C[5]C[5]2N)	108.3130	0.000	1	107.8330	0.461	2	107.8330	0.461	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>}	H(C[5]C[5]2N[5])	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:S-3:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]C[5]H)(SCuC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HS)(C[5]C[5]H)(SCuC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){3|H<1>}	H(C[5]C[5]2S)	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[5a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	H(C[5]C[5a]C[5]2)	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H){2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1570	0.223	4	108.4782	0.553	5	108.4782	0.553	5	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7630	0.000	1	108.4782	0.553	5	108.4782	0.553	5	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	H(C[5]C[6a]C[5]N[5])	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H){1|C<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7953	0.536	3	109.7953	0.287	3	109.6063	0.334	4	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0390	0.000	1	109.0390	0.000	1	109.6063	0.334	4	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4740	0.351	2	109.4740	0.123	2	109.4740	0.123	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2840	0.000	1	109.2840	0.000	1	108.9060	0.286	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Fe<10>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5280	0.000	1	108.5280	0.000	1	108.9060	0.286	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.5770	0.141	2	108.5770	0.020	2	108.8487	0.138	4	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]N[5,5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.1205	0.316	2	109.1205	0.100	2	108.8487	0.138	4	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5,6]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]N[5,6]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]C)	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]C)	110.6720	0.211	2	110.6720	0.044	2	109.1854	2.061	5	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	107.4490	0.000	1	107.4490	0.000	1	109.1854	2.061	5	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|S<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.5910	0.000	1	108.5910	0.000	1	109.1854	2.061	5	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5430	0.000	1	108.5430	0.000	1	109.1854	2.061	5	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H){1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	111.6020	0.000	1	111.6020	0.000	1	110.9625	0.818	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.3230	0.000	1	110.3230	0.000	1	110.9625	0.818	2	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2220	0.000	1	110.0565	0.055	2	109.7993	0.226	3	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8910	0.000	1	110.0565	0.055	2	109.7993	0.226	3	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2850	0.000	1	109.2850	0.000	1	109.7993	0.226	3	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:1:	4:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[5]-4:P[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H)	H(C[5]C[6a]C[5]P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H){10|C<3>}	H(C[5]C[6a]C[5]P[5])	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	109.1473	1.500	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:2:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(CCO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(CCO)(CN){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]O)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	111.5330	0.000	1	111.5330	0.000	1	109.4907	3.707	3	108.4500	6.803	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:3:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{2|C<4>}	H(C[5]C[5]2C)	108.4695	1.076	2	108.4695	1.157	2	109.4907	3.707	3	108.4500	6.803	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:3:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	105.3280	0.000	1	105.3280	0.000	1	105.3280	0.000	1	108.4500	6.803	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[6]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5a]O)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	110.6870	0.000	1	110.6870	0.000	1	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.3630	0.000	1	107.3630	0.000	1	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.9835	0.139	2	108.9835	0.019	2	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	108.5160	0.000	1	108.5160	0.000	1	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H){1|O<1>}	H(C[5]C[5]2C)	107.8720	0.000	1	107.8720	0.000	1	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]2C)	109.4090	0.000	1	109.4090	0.000	1	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	110.1710	0.000	2	110.1710	0.000	2	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H){1|O<1>}	H(C[5]C[5]2C)	110.0610	0.000	1	110.0610	0.000	1	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	110.2400	0.000	1	109.5835	0.862	2	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	108.9270	0.000	1	109.5835	0.862	2	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2C)	109.2690	0.000	1	109.2690	0.000	1	109.2810	0.973	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H){1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2N)	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H){2|H<1>,2|N<3>,4|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	H(C[5]C[5]2N[5])	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	109.3150	0.000	1	109.3150	0.000	1	109.3150	0.000	1	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8430	0.000	2	108.8430	0.000	2	108.8430	0.000	2	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]C)	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9470	0.000	1	109.9470	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1090	0.000	1	110.1090	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.1860	1.338	3	109.1860	1.790	3	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.4250	0.000	1	110.4250	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2460	0.000	1	110.2460	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.3530	0.000	1	109.3530	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0430	0.000	1	109.0430	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	110.7860	0.000	1	110.7860	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.6470	0.000	1	110.6470	0.000	1	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H){1|H<1>}	H(C[5]C[5]N[5]C)	109.0935	0.233	2	109.0935	0.054	2	109.7155	0.737	13	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H){1|C<3>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.3570	0.000	1	110.3570	0.000	1	108.9385	4.024	2	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	107.5200	0.000	1	107.5200	0.000	1	108.9385	4.024	2	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.5845	0.363	2	110.5845	0.132	2	110.5845	0.132	2	109.3663	1.021	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO){1|S<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7690	0.447	2	108.7690	0.200	2	108.7690	0.200	2	108.7833	0.100	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:3:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.7833	0.100	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]O[5]O)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(C[5]C[5]2N)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	108.3956	0.702	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	H(C[5]C[5]2N[5])	108.5727	0.596	3	108.5727	0.356	3	108.5727	0.356	3	108.3956	0.702	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:4:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[5](C[5,5]N[5]O[5]2)(C[5]C[6a]N[5]H)(CH3)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5]O[5]2)(C[5]C[6a]N[5]H)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	108.3956	0.702	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CH3)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	108.3956	0.702	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	107.4540	0.000	1	107.4540	0.000	1	108.6310	1.509	3	108.3956	0.702	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:3:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2195	0.969	2	109.2195	0.940	2	108.6310	1.509	3	108.3956	0.702	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	2:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	109.0563	0.471	4	109.0563	0.221	4	109.0563	0.221	4	109.0563	0.221	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H)	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6705	0.183	2	108.6705	0.034	2	108.6705	0.034	2	108.6705	0.034	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H)	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H){1|H<1>,2|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	107.3770	0.253	2	107.3770	0.064	2	107.3770	0.064	2	107.3770	0.064	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H){4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.9465	0.066	2	106.9465	0.004	2	106.9465	0.004	2	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.3620	0.000	1	108.3620	0.000	1	108.2345	0.033	2	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.1070	0.000	1	108.1070	0.000	1	108.2345	0.033	2	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H){5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]3)	105.3140	0.279	2	105.3140	0.078	2	105.3140	0.078	2	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:P-4:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	H(C[5]C[5]2P)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H){4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2P)	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H){1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.2470	0.000	1	108.3623	0.020	3	109.1764	0.871	8	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.4200	0.143	2	108.3623	0.020	3	109.1764	0.871	8	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.2070	0.000	1	108.2070	0.000	1	109.1764	0.871	8	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.8250	0.222	2	109.8250	0.049	2	109.1764	0.871	8	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.2335	0.054	2	110.2335	0.003	2	109.1764	0.871	8	108.3859	2.348	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H){1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]3)	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H){1|Ir<8>,1|N<3>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5]){1|Ir<8>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.8570	0.000	1	109.8570	0.000	1	109.5616	0.694	16	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.3840	0.692	6	109.3840	0.479	6	109.5616	0.694	16	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.3283	1.341	3	109.1582	1.315	4	109.5616	0.694	16	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5]N[5]C)	108.6480	0.000	1	109.1582	1.315	4	109.5616	0.694	16	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5]N[5]C)	110.2170	0.304	2	110.1467	0.589	4	109.5616	0.694	16	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.0765	1.286	2	110.1467	0.589	4	109.5616	0.694	16	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	109.6050	0.000	1	109.6050	0.000	1	109.5616	0.694	16	109.5754	0.662	18	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H){1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.3385	0.497	2	107.3385	0.247	2	107.3385	0.247	2	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,2|O<1>}	H(C[5]C[5]2C)	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2C)	100.0692	12.760	2	100.0692	162.822	2	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.2567	0.275	4	107.2567	0.076	4	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.2940	0.000	1	108.2940	0.000	1	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.0460	0.255	2	108.0460	0.065	2	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.9260	0.583	5	107.9260	0.340	5	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.7710	0.000	1	107.7710	0.000	1	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	106.8490	0.000	1	106.8490	0.000	1	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	109.9850	0.000	1	109.9850	0.000	1	106.9286	17.400	17	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	H(C[5]C[5]2C)	110.3655	0.091	2	110.3655	0.008	2	110.3655	0.008	2	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[5]C[5]2C)	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.4760	0.000	1	108.4760	0.000	1	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.5229	0.247	10	109.5229	0.061	10	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.5895	0.629	2	110.4930	7.804	4	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	112.3965	2.920	2	110.4930	7.804	4	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	113.4185	0.196	2	113.4185	0.038	2	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]C)	107.8664	1.282	5	107.8664	1.645	5	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	110.7455	0.636	4	110.7455	0.405	4	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	110.7937	0.126	3	110.7937	0.016	3	109.9038	3.120	29	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	109.5710	0.000	1	109.5710	0.000	1	109.5037	0.119	3	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.1300	0.000	1	109.1300	0.000	1	109.5037	0.119	3	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.8100	0.000	1	109.8100	0.000	1	109.5037	0.119	3	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CC3)(H){1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.3132	0.654	4	108.3132	0.427	4	108.3132	0.427	4	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H){1|C<3>,1|N<2>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2{1|N<2>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H){1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]C)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	108.4315	0.131	2	108.4315	0.017	2	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]C)	110.2650	0.000	1	110.2650	0.000	1	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Co<5>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0243	0.924	3	109.0243	0.853	3	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CC3)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0340	0.000	1	109.0340	0.000	1	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.4860	0.000	1	109.4860	0.000	1	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>,1|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.1755	0.149	2	109.1755	0.022	2	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]C)	109.3170	0.270	4	109.3170	0.073	4	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]C)	109.2350	0.156	2	109.2350	0.024	2	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC3)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]N[5]C)	109.1880	0.000	1	109.1880	0.000	1	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]N[5]C)	108.8596	0.603	5	108.8596	0.364	5	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]N[5]C)	109.6623	0.415	3	109.6623	0.172	3	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.0290	0.000	2	109.0253	0.000	3	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]N[5]C)	109.0180	0.000	1	109.0253	0.000	3	109.1557	0.282	28	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	H(C[5]C[3]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[3]C[5]N[5])	110.1970	0.000	1	110.1665	0.002	2	110.1665	0.002	2	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	H(C[5]C[3]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3]C[5]N[5])	110.1360	0.000	1	110.1665	0.002	2	110.1665	0.002	2	108.9667	5.433	91	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H){1|Br<1>,1|C<2>,2|C<3>}	H(C[5]C[5]2C)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.8870	0.813	4	109.8870	0.662	4	109.8870	0.662	4	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2S)	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2S)	109.2690	0.642	2	109.2690	0.412	2	109.2690	0.412	2	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.7185	0.756	2	109.7185	0.571	2	109.8447	0.333	3	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	110.0970	0.000	1	110.0970	0.000	1	109.8447	0.333	3	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.7919	0.568	17	109.2520	0.561	30	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8536	0.482	13	109.2520	0.561	30	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H){1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.3560	0.047	2	110.3560	0.002	2	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.0380	0.000	1	111.0380	0.000	1	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5555	0.842	2	109.5555	0.709	2	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9015	0.677	11	108.9411	0.435	12	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3760	0.000	1	108.9411	0.435	12	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7160	0.000	1	109.7160	0.000	1	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H){2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1350	0.000	1	108.1350	0.000	1	109.2564	0.629	49	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	109.3121	0.611	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:S[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO){2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]2C)	108.5190	2.164	2	108.5190	4.682	2	108.5190	4.682	2	108.8530	2.676	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:2:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	108.8530	2.676	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.0920	0.000	1	109.0920	0.000	1	109.3560	3.763	6	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	111.5635	0.984	2	111.5635	0.967	2	109.3560	3.763	6	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.4610	0.000	1	107.4610	0.000	1	109.3560	3.763	6	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.2280	1.377	2	108.2280	1.897	2	109.3560	3.763	6	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H){2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.8260	0.000	1	109.8260	0.000	1	109.8250	0.000	2	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.8240	0.000	1	109.8240	0.000	1	109.8250	0.000	2	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	110.2870	0.000	1	110.2870	0.000	1	110.0655	0.098	2	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H){1|Br<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.8440	0.000	1	109.8440	0.000	1	110.0655	0.098	2	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	111.0150	0.000	1	111.0150	0.000	1	110.5070	0.516	2	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9990	0.000	1	109.9990	0.000	1	110.5070	0.516	2	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.2644	0.380	5	108.2644	0.145	5	108.4232	0.142	8	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]N[5]C)	108.5770	0.044	2	108.5770	0.002	2	108.4232	0.142	8	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5]N[5]C)	108.9100	0.000	1	108.9100	0.000	1	108.4232	0.142	8	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2N[5])	109.0605	0.097	2	109.0605	0.009	2	109.0605	0.009	2	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]C[6]N[5])	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:1:	4:	C[5]-4:N[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]Si)	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.2222	1.357	27	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	107.3455	2.312	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.5290	0.000	1	109.5290	0.000	1	107.7675	6.206	2	107.3455	2.312	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.0060	0.000	1	106.0060	0.000	1	107.7675	6.206	2	107.3455	2.312	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:2:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]C[6]N[5])	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	107.3455	2.312	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:3:3:	4:	C[5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	H(C[5]C[5,6a]C[5]2)	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]2)	109.9190	0.160	2	109.9190	0.026	2	109.9190	0.026	2	109.9190	0.026	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5]C[5]2C)	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H){1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	H(C[5]C[5]2C)	110.9075	2.288	4	110.9075	5.237	4	109.6670	6.988	6	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|Ni<4>,1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	107.1860	0.875	2	107.1860	0.766	2	109.6670	6.988	6	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:P-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2P)	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2S)	109.8375	0.043	2	109.8375	0.002	2	109.3872	0.198	5	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2S)	109.2110	0.146	2	109.2110	0.021	2	109.3872	0.198	5	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2S)	108.8390	0.000	1	108.8390	0.000	1	109.3872	0.198	5	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.0380	0.209	2	107.0380	0.044	2	107.0380	0.044	2	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.8310	0.075	2	109.8310	0.006	2	109.8310	0.006	2	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5]N[5]C)	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1809	0.554	7	109.1809	0.307	7	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	110.1570	0.000	1	110.1570	0.000	1	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.1970	0.000	1	109.1970	0.000	1	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	111.1540	0.000	1	111.1540	0.000	1	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1130	0.000	1	108.1130	0.000	1	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0630	0.000	1	109.0630	0.000	1	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2570	0.000	1	109.2570	0.000	1	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8550	0.000	1	109.8550	0.000	1	109.3616	0.603	14	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H){1|Ru<5>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H){1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]C)	107.9565	0.177	2	107.9565	0.032	2	107.9565	0.032	2	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	108.4255	0.272	2	108.8272	0.652	4	108.8272	0.652	4	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	109.2290	1.112	2	108.8272	0.652	4	108.8272	0.652	4	109.1070	1.628	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	107.3910	5.041	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	H(C[5]C[5]2Si)	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	H(C[5]C[5]2Si)	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	107.3910	5.041	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:2:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	107.3910	5.041	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.9350	0.000	1	107.9350	0.000	1	107.9350	0.000	1	108.7320	1.270	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:3:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	108.7320	1.270	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	106.5180	0.000	1	106.5180	0.000	1	106.5180	0.000	1	108.3855	3.046	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]Ir)(CH3)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]Ir)(CH3)(H){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2{1|Ir<6>,3|C<3>}	H(C[5]C[5]2C)	105.5610	0.000	1	105.5610	0.000	1	105.5610	0.000	1	108.3855	3.046	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.4615	0.088	2	110.4615	0.008	2	110.4615	0.008	2	108.3855	3.046	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	108.3855	3.046	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	108.5965	0.292	2	108.5965	0.085	2	108.5965	0.085	2	108.3855	3.046	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	3:4:4:4:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	107.7200	0.000	1	107.7200	0.000	1	107.7200	0.000	1	108.3855	3.046	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5a]C[5])	110.4860	0.096	4	110.4860	0.009	4	110.4860	0.009	4	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.7680	0.000	1	106.7680	0.000	1	109.1843	1.965	12	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.3460	0.676	5	108.7533	1.362	6	109.1843	1.965	12	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.7900	0.000	1	108.7533	1.362	6	109.1843	1.965	12	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]2C)	109.3400	0.000	1	110.4397	1.033	3	109.1843	1.965	12	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.9895	0.501	2	110.4397	1.033	3	109.1843	1.965	12	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(H)2{1|C<4>}	H(C[5]C[5]2C)	109.8020	0.544	2	109.8020	0.296	2	109.1843	1.965	12	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]2C)	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]2)	107.2405	0.753	2	107.2405	0.567	2	107.2405	0.567	2	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.3270	0.000	1	108.3270	0.000	1	108.8884	0.252	5	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.9760	0.164	2	108.9760	0.027	2	108.8884	0.252	5	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.0815	0.760	2	109.0815	0.578	2	108.8884	0.252	5	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H){1|O<1>,2|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.3320	0.000	1	109.3320	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5990	0.000	1	109.5990	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ag<6>,1|C<3>}	H(C[5]C[5]N[5]C)	108.4665	0.277	4	108.4665	0.077	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Al<6>,1|C<3>}	H(C[5]C[5]N[5]C)	109.5588	0.096	6	109.5588	0.009	6	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5020	0.167	2	109.5557	0.023	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC3)(H){1|S<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]C)	109.6630	0.000	1	109.5557	0.023	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.3782	0.432	19	109.3782	0.187	19	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	108.6740	0.000	1	108.6740	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.2090	0.328	2	110.0968	0.119	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9845	0.446	2	110.0968	0.119	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7000	0.130	2	110.0928	0.340	6	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.2892	0.638	4	110.0928	0.340	6	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	112.8790	0.000	1	110.8155	0.834	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.5207	0.403	7	110.8155	0.834	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	111.5090	0.000	1	111.5090	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.6760	0.000	1	110.6760	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.5210	1.147	2	110.5210	1.315	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.3360	0.000	1	110.3360	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.4640	0.000	1	110.4349	3.684	65	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.8050	0.269	3	110.4349	3.684	65	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.0975	0.933	2	110.4349	3.684	65	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.3833	1.797	57	110.4349	3.684	65	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	117.4130	0.000	1	110.4349	3.684	65	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.9310	0.000	1	110.4349	3.684	65	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.1995	0.062	2	110.1995	0.004	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9960	0.342	2	110.0060	0.191	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|N<2>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]C)	110.5980	0.000	1	110.0060	0.191	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7900	0.099	3	110.0060	0.191	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]C)	110.6380	0.000	1	110.0060	0.191	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]C)	109.4500	0.000	1	110.0060	0.191	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]C)	110.0250	0.000	1	110.0250	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H){2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0850	0.000	1	110.0850	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	109.4120	0.000	1	109.4120	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]N[5]C)	107.7765	0.203	2	107.8030	0.023	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]N[5]C)	107.8560	0.000	1	107.8030	0.023	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.0079	0.582	18	108.9653	0.355	20	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]N[5]C)	108.5820	0.815	2	108.9653	0.355	20	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]N[5]C)	108.8207	0.437	3	108.8207	0.191	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.3865	0.784	4	109.1747	0.529	6	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]N[5]C)	108.7510	0.513	2	109.1747	0.529	6	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<6>,1|C<3>}	H(C[5]C[5]N[5]C)	108.8942	0.409	4	109.2934	0.368	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.6925	0.516	4	109.2934	0.368	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CC3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.2817	0.695	4	109.2817	0.484	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.0875	0.916	17	109.1049	0.633	23	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.1103	0.285	4	109.1049	0.633	23	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|N<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|N<3>}	H(C[5]C[5]N[5]C)	109.2420	0.465	2	109.1049	0.633	23	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.7460	0.000	1	109.7460	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.4245	0.562	2	109.4245	0.316	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Dy<11>,1|C<4>}	H(C[5]C[5]N[5]C)	109.5520	0.000	1	109.5520	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]N[5]C)	108.7400	0.672	3	108.7807	0.308	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]C)	108.9030	0.000	1	108.7807	0.308	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<4>,1|C<3>}	H(C[5]C[5]N[5]C)	108.2562	0.232	8	108.3575	0.571	19	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]N[5]C)	108.1091	0.974	7	108.3575	0.571	19	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]C)	108.9947	0.829	4	108.3575	0.571	19	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.5400	0.000	1	109.5400	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.3500	0.000	1	109.3500	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCN)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1080	0.000	1	109.1080	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H){1|S<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]C)	110.4370	0.000	1	110.4370	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	111.2920	0.000	1	111.2920	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.6431	0.582	8	109.6431	0.338	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.1535	0.493	4	110.1535	0.243	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<5>,1|C<3>}	H(C[5]C[5]N[5]C)	110.7590	1.583	2	110.2673	1.977	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>}	H(C[5]C[5]N[5]C)	109.2840	0.000	1	110.2673	1.977	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.1280	0.000	1	109.2736	0.454	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]N[5]C)	109.1858	0.446	6	109.2736	0.454	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<7>,1|C<3>}	H(C[5]C[5]N[5]C)	107.8810	0.000	1	109.2736	0.454	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<9>,1|C<3>}	H(C[5]C[5]N[5]C)	110.0680	0.221	2	109.2736	0.454	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>}	H(C[5]C[5]N[5]C)	109.7500	0.000	1	109.2736	0.454	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]N[5]C)	109.8510	0.226	2	109.8510	0.051	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mg<7>,1|C<3>}	H(C[5]C[5]N[5]C)	109.2415	0.165	4	109.2415	0.027	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H){1|B<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<6>,1|B<4>}	H(C[5]C[5]N[5]C)	109.2897	0.852	3	109.2897	0.725	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.0817	1.288	4	109.0817	1.660	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mo<6>,1|C<3>}	H(C[5]C[5]N[5]C)	109.7460	0.000	1	109.7460	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]N[5]C)	111.9000	0.000	1	111.9000	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]N[5]C)	106.1210	0.000	1	106.1210	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.3830	0.236	3	109.1555	0.099	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]N[5]C)	109.0440	0.000	1	109.1555	0.099	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.0800	0.239	4	109.1555	0.099	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<4>}	H(C[5]C[5]N[5]C)	109.0660	0.495	3	109.1555	0.099	11	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<3>,1|C<3>}	H(C[5]C[5]N[5]C)	110.5795	1.343	2	109.9457	1.991	51	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]N[5]C)	110.0871	1.875	27	109.9457	1.991	51	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.4730	0.000	1	109.9457	1.991	51	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.7260	0.432	21	109.9457	1.991	51	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]N[5]C)	111.1515	5.276	2	111.1515	27.833	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]N[5]C)	110.2720	0.676	2	110.2720	0.457	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC[6a]3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CC[6a]3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]N[5]C)	108.9485	0.920	2	108.9485	0.846	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.3685	0.033	2	109.3685	0.001	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	111.4055	2.555	2	109.3118	2.356	10	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.5540	0.000	1	109.3118	2.356	10	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]N[5]C)	108.6790	0.712	7	109.3118	2.356	10	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.3493	0.414	11	109.0295	0.670	33	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<3>}	H(C[5]C[5]N[5]C)	108.1650	0.301	2	109.0295	0.670	33	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.1484	0.678	16	109.0295	0.670	33	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]N[5]C)	107.2300	1.814	2	109.0295	0.670	33	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|N<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|N<3>}	H(C[5]C[5]N[5]C)	108.9840	0.344	2	109.0295	0.670	33	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.8120	0.000	1	109.8120	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	110.2395	0.877	4	110.2395	0.768	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.5483	0.651	3	110.2950	1.965	5	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]N[5]C)	111.4150	1.683	2	110.2950	1.965	5	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.5200	0.197	2	109.5838	0.116	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.6475	0.541	2	109.5838	0.116	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.6140	0.000	1	109.6140	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H){1|B<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Re<6>,1|B<4>}	H(C[5]C[5]N[5]C)	109.3173	0.542	3	109.3173	0.293	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<3>}	H(C[5]C[5]N[5]C)	108.9216	0.375	9	108.9216	0.141	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.3100	0.659	2	109.3721	0.267	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]N[5]C)	109.4795	0.424	2	109.3721	0.267	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<7>,1|C<3>}	H(C[5]C[5]N[5]C)	109.1475	0.180	2	109.3721	0.267	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.4115	1.129	2	109.3721	0.267	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<4>}	H(C[5]C[5]N[5]C)	109.6520	0.000	1	109.3721	0.267	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.7825	0.757	2	109.7825	0.574	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]N[5]C)	109.7220	0.000	1	109.2105	0.523	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CC3)(H){1|N<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<10>,1|N<3>}	H(C[5]C[5]N[5]C)	108.6990	0.000	1	109.2105	0.523	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]N[5]C)	109.2970	0.645	5	109.4554	0.334	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<5>,1|C<4>}	H(C[5]C[5]N[5]C)	109.4780	0.000	1	109.4554	0.334	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<6>,1|C<4>}	H(C[5]C[5]N[5]C)	109.8400	0.502	2	109.4554	0.334	8	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.6203	0.329	3	109.6203	0.108	3	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.3580	0.626	2	109.3580	0.392	2	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.3937	0.578	4	109.3937	0.335	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.9155	0.094	2	109.8988	0.008	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]N[5]C)	109.8820	0.115	2	109.8988	0.008	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	110.2580	0.000	1	110.2580	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	110.2260	0.000	1	110.2260	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	110.3820	0.000	1	110.3820	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.8580	0.000	1	109.8580	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Sn<5>,1|C<3>}	H(C[5]C[5]N[5]C)	108.3230	0.000	1	108.3230	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Te<5>,1|C<3>}	H(C[5]C[5]N[5]C)	110.2110	0.000	1	110.2110	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]N[5]C)	109.0585	0.145	2	109.0108	0.075	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CC3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]C)	108.9630	0.441	2	109.0108	0.075	4	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]N[5]C)	110.0640	0.000	1	109.3767	0.288	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]C)	109.6450	0.085	4	109.3767	0.288	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.0370	0.626	2	109.3767	0.288	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|N<2>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<6>,1|N<2>}	H(C[5]C[5]N[5]C)	108.8360	0.559	2	109.3767	0.288	9	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]N[5]C)	109.6900	0.000	1	109.6900	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]N[5]C)	109.6120	0.308	7	109.6120	0.095	7	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]P[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H){1|N<3>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]P[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8450	0.000	1	109.8450	0.000	1	109.5767	1.479	479	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	107.7840	0.000	1	108.4974	0.871	7	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]C)	108.6163	0.962	6	108.4974	0.871	7	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H){2|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0070	0.000	1	110.0070	0.000	1	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]C)	108.4040	0.235	2	108.4040	0.055	2	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9330	0.000	1	108.9330	0.000	1	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]C)	108.9375	0.056	2	108.9375	0.003	2	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]N[5]C)	107.5910	0.128	3	107.5910	0.016	3	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|N<2>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]C)	109.1830	0.000	1	110.4687	1.708	3	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]C)	111.1115	0.968	2	110.4687	1.708	3	108.8044	1.330	19	109.5299	1.503	522	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	106.4985	0.016	2	106.4985	0.000	2	106.4985	0.000	2	106.5547	0.010	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:2:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	106.5547	0.010	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[6a]C[5])	106.4020	0.000	1	106.4020	0.000	1	106.4020	0.000	1	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H){1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	109.9535	0.115	2	109.9535	0.013	2	109.9535	0.013	2	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.1483	0.629	3	109.1483	0.395	3	108.6412	1.186	6	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	107.3605	0.088	2	107.3605	0.008	2	108.6412	1.186	6	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.6810	0.000	1	109.6810	0.000	1	108.6412	1.186	6	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.5660	0.000	1	108.5660	0.000	1	108.9075	0.233	2	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2490	0.000	1	109.2490	0.000	1	108.9075	0.233	2	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.4370	0.000	1	110.4370	0.000	1	109.8712	0.158	5	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4920	0.000	1	109.4920	0.000	1	109.8712	0.158	5	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7110	0.000	1	109.7110	0.000	1	109.8712	0.158	5	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.8580	0.375	2	109.8580	0.140	2	109.8712	0.158	5	109.0910	1.242	17	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.8070	0.395	2	108.8070	0.156	2	108.8070	0.156	2	107.7440	3.468	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2{1|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.6180	0.000	1	105.6180	0.000	1	105.6180	0.000	1	107.7440	3.468	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2437	0.658	3	107.2437	0.433	3	107.0472	0.291	5	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){1|O<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6960	0.000	1	106.6960	0.000	1	107.0472	0.291	5	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H){1|S<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8090	0.000	1	106.8090	0.000	1	107.0472	0.291	5	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6505	0.252	2	108.6505	0.064	2	108.6505	0.064	2	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H)	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5a]C[5])	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.5675	0.919	2	108.5675	0.844	2	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.6325	0.487	2	109.6325	0.237	2	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	107.9200	0.000	1	107.9200	0.000	1	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.3870	0.494	4	109.3870	0.244	4	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.3975	0.961	4	108.3975	0.923	4	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.2563	0.100	3	108.2563	0.010	3	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	106.9120	0.000	1	106.9120	0.000	1	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<1>,1|O<1>}	H(C[5]C[5]2C)	107.8880	0.000	1	109.2995	1.002	4	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.7700	0.418	3	109.2995	1.002	4	108.7780	0.867	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	H(C[5]C[5]2N)	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2S)	C[5](C[5]O[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){2|C<4>}	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2S)	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.3530	0.085	2	106.3530	0.007	2	106.3530	0.007	2	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.1770	0.000	1	110.1770	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9040	0.000	1	109.9040	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.8360	0.000	1	108.8360	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.5835	0.825	2	110.5835	0.681	2	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8800	0.000	1	109.8800	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1653	0.287	8	109.1653	0.082	8	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.6970	0.000	1	108.6970	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2130	0.000	1	110.2130	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5960	0.000	1	109.5960	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	110.0450	0.000	1	110.0450	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	107.8030	0.000	1	107.8030	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.7780	0.000	1	109.7780	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|C<4>}	H(C[5]C[5]N[5]C)	108.8330	0.000	1	108.8330	0.000	1	109.4405	0.525	21	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H){2|O<1>}	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H){1|H<1>,2|O<1>}	H(C[5]C[5]N[5]C)	107.8025	0.312	2	107.8025	0.097	2	107.8025	0.097	2	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H){1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|C<4>,1|S<1>}	H(C[5]C[5]N[5]C)	108.7240	0.000	1	108.7240	0.000	1	107.7273	2.862	3	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H){1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H){1|H<1>,1|S<1>}	H(C[5]C[5]N[5]C)	105.7740	0.000	1	105.7740	0.000	1	107.7273	2.862	3	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H){1|S<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|H<1>,1|S<1>}	H(C[5]C[5]N[5]C)	108.6840	0.000	1	108.6840	0.000	1	107.7273	2.862	3	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|Re<6>,1|C<3>,1|H<1>}	H(C[5]C[5]O[5]C)	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	108.7525	1.392	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H){2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.1460	0.000	1	107.1460	0.000	1	107.2183	0.004	3	107.2183	0.004	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO)	H(C[5]C[5]2C)	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO){1|O<1>}	H(C[5]C[5]2C)	107.2545	0.029	2	107.2545	0.001	2	107.2183	0.004	3	107.2183	0.004	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H)	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H){1|N<3>}	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2{1|N<3>,1|S<4>}	H(C[5]C[5]N[5]C)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4000	0.000	1	109.4000	0.000	1	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	110.9475	2.019	10	110.9475	4.075	10	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4263	0.315	3	109.9110	0.490	5	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.6380	0.000	2	109.9110	0.490	5	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Fe)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]N[5]C)	108.1490	0.000	1	108.1490	0.000	1	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Li)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Li)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Li<4>,1|C<4>}	H(C[5]C[5]N[5]C)	107.5490	0.038	2	107.5490	0.001	2	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Mn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Mn)(CCCH)(H){1|B<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Mn<6>,1|B<4>}	H(C[5]C[5]N[5]C)	107.6020	1.158	3	107.6020	1.341	3	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Os)(CHHS)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Os)(CHHS)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Os<6>,1|C<3>}	H(C[5]C[5]N[5]C)	108.8900	0.000	1	108.8900	0.000	1	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|O<1>,1|P<4>}	H(C[5]C[5]N[5]C)	109.0495	0.561	2	109.0495	0.314	2	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	108.3225	0.228	2	108.7157	0.490	3	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]C)	109.5020	0.000	1	108.7157	0.490	3	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCHH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCHH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	110.5360	0.000	1	110.5360	0.000	1	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Re)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Re)(CCCH)(H){1|B<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Re<6>,1|B<4>}	H(C[5]C[5]N[5]C)	107.6387	0.542	3	107.6387	0.294	3	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H){1|B<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|B<4>}	H(C[5]C[5]N[5]C)	108.2532	0.555	6	108.2946	0.269	7	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]C)	108.5430	0.000	1	108.2946	0.269	7	109.2085	2.837	39	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:2:4:4:	4:	C[6]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H)	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5]2C[6])	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	109.2195	2.706	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	108.4080	0.000	1	107.9838	0.411	6	107.9838	0.411	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	108.6410	0.000	1	107.9838	0.411	6	107.9838	0.411	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	108.2880	0.000	1	107.9838	0.411	6	107.9838	0.411	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	107.5220	0.595	3	107.9838	0.411	6	107.9838	0.411	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H){1|S<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5a]C[5])	107.5695	0.088	2	107.5695	0.008	2	107.5695	0.008	2	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9630	0.000	1	106.9630	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0490	0.000	1	107.0490	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|O<2>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3640	0.000	1	107.3640	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1150	0.000	1	107.1150	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.2470	0.000	1	109.2470	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6030	0.000	1	106.6030	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7190	0.000	1	106.7190	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3265	0.080	2	106.4933	0.087	3	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8270	0.000	1	106.4933	0.087	3	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3530	0.415	11	107.3236	0.167	12	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0000	0.000	1	107.3236	0.167	12	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|S<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8810	0.093	2	106.8810	0.009	2	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|N<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.8750	0.000	1	105.8750	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5340	0.000	1	106.4275	0.023	2	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3210	0.000	1	106.4275	0.023	2	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2{6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8480	0.000	1	106.8480	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0450	0.636	2	106.0450	0.405	2	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|N<2>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|N<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4905	0.153	2	107.4905	0.024	2	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4730	0.000	1	107.4730	0.000	1	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.8390	0.000	1	107.4403	0.397	4	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7840	0.000	1	107.4403	0.397	4	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5690	0.754	2	107.4403	0.397	4	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[6a]C[5])	106.3970	0.000	1	107.9905	5.078	2	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[6a]C[5])	109.5840	0.000	1	107.9905	5.078	2	107.1295	0.600	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3730	0.000	1	106.6768	0.056	19	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5670	0.000	1	106.6768	0.056	19	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7204	0.172	9	106.6768	0.056	19	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5006	0.126	5	106.6768	0.056	19	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7120	0.000	1	106.6768	0.056	19	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4940	0.000	1	106.6768	0.056	19	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7260	0.000	1	106.6768	0.056	19	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|N<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5140	0.000	1	107.5140	0.000	1	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5860	0.000	1	106.5860	0.000	1	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8280	0.143	2	106.4999	0.117	20	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4214	0.337	16	106.4999	0.117	20	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8005	0.012	2	106.4999	0.117	20	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5040	0.000	1	106.5040	0.000	1	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.0580	0.000	1	108.0580	0.000	1	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.5780	1.341	2	105.5780	1.797	2	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1024	1.711	5	107.1024	2.927	5	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0070	0.279	4	107.0070	0.078	4	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3450	0.000	1	106.3450	0.000	1	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5940	0.000	1	107.5940	0.000	1	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3700	0.000	1	106.3700	0.000	1	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.5830	0.618	2	109.5830	0.382	2	106.7744	0.720	59	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6,6]C[6a]C[5])	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,6,6]C[6a]C[5])	105.7010	0.000	1	105.7010	0.000	1	105.7010	0.000	1	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2{3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.3800	0.000	1	107.3800	0.000	1	107.2274	1.110	12	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.0964	1.190	9	107.0964	1.416	9	107.2274	1.110	12	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.7405	0.414	2	107.7405	0.171	2	107.2274	1.110	12	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[5]C[5,6]C[5a]C[5])	106.5650	0.000	1	106.5650	0.000	1	106.5650	0.000	1	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.6000	0.479	2	106.6000	0.230	2	106.9233	1.280	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<3>,3|C<3>,3|O<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.1340	0.000	1	107.1340	0.000	1	106.9233	1.280	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.7590	0.000	1	105.7590	0.000	1	106.9233	1.280	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.0040	0.000	1	109.0040	0.000	1	106.9233	1.280	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4430	0.000	1	106.4430	0.000	1	106.9233	1.280	6	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.8289	0.388	14	106.6446	0.270	41	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3355	0.374	8	106.6446	0.270	41	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.1820	0.000	1	106.6446	0.270	41	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.7920	0.000	1	106.6446	0.270	41	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3690	0.099	3	106.6446	0.270	41	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6750	0.402	5	106.6446	0.270	41	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4094	0.202	9	106.6446	0.270	41	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2{1|C<4>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.8460	0.000	1	106.8460	0.000	1	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9460	0.000	1	106.9056	0.121	9	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9427	0.380	7	106.9056	0.121	9	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6050	0.000	1	106.9056	0.121	9	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.8740	0.000	1	107.8740	0.000	1	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.6420	0.759	2	107.6420	0.577	2	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2{1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.8440	0.000	1	109.8440	0.000	1	106.8078	0.468	55	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-1:C-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(C)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<2>}	C[5](C[5]C[5]CH)(C[5]O[5]C)(C)2{1|O<1>}	H(C[5]C[5]2C)	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2C)	109.2700	0.000	1	109.2700	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2C)	107.8140	0.000	1	108.4652	0.825	4	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2C)	109.0615	1.023	2	108.4652	0.825	4	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.9240	0.000	1	108.4652	0.825	4	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	110.8580	0.000	1	110.8580	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2C)	108.4970	0.000	1	108.4970	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H){1|Ni<4>,1|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2{1|Ni<4>,1|N<2>}	H(C[5]C[5]2C)	112.1560	0.000	1	112.1560	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	107.5130	0.000	1	107.5130	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	107.1560	0.000	1	107.1560	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2C)	106.6090	0.000	1	106.6090	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	107.4080	0.000	1	107.4080	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.8925	0.569	2	108.8925	0.324	2	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.0620	0.000	1	109.0620	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	107.6910	0.000	1	107.6910	0.000	1	108.6166	2.062	16	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H){1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.9140	0.000	1	108.9140	0.000	1	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.1690	0.000	1	108.1690	0.000	1	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	110.0710	0.000	1	108.9084	1.917	5	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.5085	1.486	2	108.9084	1.917	5	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7270	0.772	2	108.9084	1.917	5	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.6190	0.000	1	110.6190	0.000	1	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.0670	0.000	1	110.0670	0.000	1	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]2C)	110.4370	0.000	1	110.4370	0.000	1	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	110.2330	0.000	1	110.2395	0.077	10	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2C)	110.2893	0.365	3	110.2395	0.077	10	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.2157	0.288	6	110.2395	0.077	10	109.7571	0.991	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<3>}	H(C[5]C[5]2N)	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H){2|O<1>}	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{2|O<1>}	H(C[5]C[5]2P)	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	H(C[5]C[5]2S)	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.5090	0.106	2	108.5090	0.011	2	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.4717	1.395	3	108.4717	1.946	3	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.7560	0.000	1	109.7560	0.000	1	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<2>,1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.1645	0.310	2	109.1645	0.096	2	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]2)	104.9820	0.000	1	104.9820	0.000	1	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	108.8665	0.047	2	108.9700	0.033	3	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	109.1770	0.000	1	108.9700	0.033	3	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.1050	0.000	1	108.1050	0.000	1	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4150	0.000	2	107.5497	0.054	3	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.8190	0.000	1	107.5497	0.054	3	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	110.8290	0.000	1	108.5935	9.995	2	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.3580	0.000	1	108.5935	9.995	2	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	110.0790	0.000	1	110.0790	0.000	1	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[6a]C[5]2)	107.0670	0.000	1	107.0670	0.000	1	108.3748	1.936	20	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.6305	2.357	2	106.6305	5.554	2	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|Br<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.3910	0.184	2	106.3910	0.034	2	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.8790	0.000	1	106.6852	0.192	13	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.5040	0.000	1	106.6852	0.192	13	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.4620	0.000	1	106.6852	0.192	13	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.4889	0.230	7	106.6852	0.192	13	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.8803	0.212	3	106.6852	0.192	13	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.2495	0.556	2	108.0002	0.246	11	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.1670	0.311	9	108.0002	0.246	11	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.7335	0.185	2	106.9240	0.308	5	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|N<3>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.8660	0.000	1	106.9240	0.308	5	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.6435	0.285	2	106.9240	0.308	5	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.7620	0.000	1	106.7620	0.000	1	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.9820	0.444	2	107.9820	0.197	2	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.0840	0.000	1	109.0840	0.000	1	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.7115	0.521	2	106.7115	0.272	2	107.2002	0.798	39	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4670	0.000	1	109.4670	0.000	1	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1825	0.159	2	109.1825	0.025	2	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){2|I<1>}	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2{1|I<1>,1|S<4>}	H(C[5]C[5]N[5]C)	108.9970	0.000	1	108.9970	0.000	1	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>}	H(C[5]C[5]N[5]C)	113.6200	0.000	1	113.6200	0.000	1	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]C)	108.6570	0.000	1	108.6570	0.000	1	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.6585	0.510	2	109.6585	0.260	2	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H){1|C<4>}	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	108.3500	0.000	1	108.3500	0.000	1	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.2350	0.632	2	109.2350	0.400	2	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9103	0.621	3	109.9103	0.385	3	109.6410	1.641	14	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.6250	0.000	1	109.6250	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]C)	109.0300	0.000	1	109.0300	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.4100	0.000	1	109.4100	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	112.8080	0.000	1	112.8080	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.6025	0.203	4	109.6025	0.041	4	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.5350	0.000	1	109.5350	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){1|H<1>,1|N<2>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]C)	109.3540	0.000	1	109.3540	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,1|O<2>}	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]N[5]C)	108.5625	0.183	2	108.5625	0.034	2	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H){1|O<1>,1|O<2>}	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]N[5]C)	109.7530	0.000	1	109.7530	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>,1|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]C)	113.1520	0.000	1	113.1520	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.5330	0.000	1	109.5330	0.000	1	109.8490	1.767	15	107.6436	2.170	309	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7895	0.558	2	105.7895	0.311	2	106.9220	4.003	3	106.7666	1.836	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[6a]C[5])	109.1870	0.000	1	109.1870	0.000	1	106.9220	4.003	3	106.7666	1.836	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5990	0.000	1	106.5990	0.000	1	106.5990	0.000	1	106.7666	1.836	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.1900	0.000	1	107.1900	0.000	1	107.1900	0.000	1	106.7666	1.836	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2C)	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	106.7666	1.836	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	106.7666	1.836	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	109.1550	0.000	1	109.1550	0.000	1	107.3173	2.000	4	107.3173	2.000	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.0140	0.000	1	107.0140	0.000	1	107.3173	2.000	4	107.3173	2.000	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.3730	0.000	1	107.3730	0.000	1	107.3173	2.000	4	107.3173	2.000	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:2:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	105.7270	0.000	1	105.7270	0.000	1	107.3173	2.000	4	107.3173	2.000	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,7|C<3>}	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]2)	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H){1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1300	0.000	1	107.1300	0.000	1	107.8990	1.233	4	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H){5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7850	0.000	1	106.7850	0.000	1	107.8990	1.233	4	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H){2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.8405	0.306	2	108.8405	0.094	2	107.8990	1.233	4	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H){5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.6225	0.054	2	104.6225	0.003	2	104.6225	0.003	2	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.1377	0.364	3	109.1377	0.133	3	107.4589	2.285	9	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.1900	0.000	1	105.1900	0.000	1	107.4589	2.285	9	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2870	0.000	1	107.2870	0.000	1	107.4589	2.285	9	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3507	0.291	3	106.8100	0.901	4	107.4589	2.285	9	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1880	0.000	1	106.8100	0.901	4	107.4589	2.285	9	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.9000	0.000	1	105.9640	0.008	2	106.7057	1.654	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.0280	0.000	1	105.9640	0.008	2	106.7057	1.654	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.1890	0.000	1	108.1890	0.000	1	106.7057	1.654	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6050	0.291	3	106.6050	0.085	3	106.6050	0.085	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CN[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CN[5]O)(H){2|C<4>}	H(C[5]C[5]2C)	108.8610	0.000	1	108.8610	0.000	1	108.2659	0.686	7	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.7700	0.349	2	108.7700	0.122	2	108.2659	0.686	7	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.4170	0.198	3	107.4170	0.039	3	108.2659	0.686	7	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){1|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]C)(CCH)(H){1|O<1>}	H(C[5]C[5]2C)	109.2090	0.000	1	109.2090	0.000	1	108.2659	0.686	7	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	95.2367	0.000	1	95.2367	0.000	1	102.5519	107.023	2	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CC[6a]O)(H){2|H<1>}	H(C[5]C[5]2C)	109.8670	0.000	1	109.8670	0.000	1	102.5519	107.023	2	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	H(C[5]C[5]2N)	108.6633	0.832	3	108.6633	0.693	3	108.6633	0.693	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H){1|Cd<6>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]C[6]N[5])	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.7000	0.000	1	107.7000	0.000	1	107.2120	0.517	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){5|C<3>}	H(C[5]C[6a]C[5]2)	107.5500	0.000	1	107.5500	0.000	1	107.2120	0.517	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){1|O<2>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.3860	0.000	1	106.3860	0.000	1	107.2120	0.517	3	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.3760	0.000	2	107.6317	0.196	3	107.4280	0.695	6	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.1430	0.000	1	107.6317	0.196	3	107.4280	0.695	6	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.8080	0.000	1	106.5530	0.130	2	107.4280	0.695	6	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.2980	0.000	1	106.5530	0.130	2	107.4280	0.695	6	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.5670	0.000	1	108.5670	0.000	1	107.4280	0.695	6	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.3900	0.000	1	106.3900	0.000	1	106.3900	0.000	1	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.8730	0.000	1	107.8730	0.000	1	107.8725	0.000	2	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.8720	0.000	1	107.8720	0.000	1	107.8725	0.000	2	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	106.3690	0.000	1	106.3480	0.001	2	106.3480	0.001	2	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	106.3270	0.000	1	106.3480	0.001	2	106.3480	0.001	2	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.2798	0.240	5	110.2798	0.058	5	110.0356	0.232	7	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.6650	0.000	1	109.6650	0.000	1	110.0356	0.232	7	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H){1|C<4>,2|O<1>}	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H){1|C<4>,2|O<1>}	H(C[5]C[5]N[5]C)	109.1850	0.000	1	109.1850	0.000	1	110.0356	0.232	7	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:1:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.7005	5.534	60	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	108.9670	0.000	1	108.9670	0.000	1	108.1320	1.394	2	107.8360	1.046	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H){2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC){1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.2970	0.000	1	107.2970	0.000	1	108.1320	1.394	2	107.8360	1.046	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	H(C[5]C[6a]C[5]2)	107.4615	0.093	2	107.1803	0.109	4	107.9471	0.981	7	107.8360	1.046	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	106.8990	0.042	2	107.1803	0.109	4	107.9471	0.981	7	107.8360	1.046	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.8625	0.011	2	108.9697	0.035	3	107.9471	0.981	7	107.8360	1.046	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	109.1840	0.000	1	108.9697	0.035	3	107.9471	0.981	7	107.8360	1.046	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	107.8360	1.046	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2{1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.2690	0.000	1	104.2690	0.000	1	104.2690	0.000	1	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0740	0.000	1	107.1860	1.577	2	106.2873	3.211	3	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.2980	0.000	1	107.1860	1.577	2	106.2873	3.211	3	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Br<1>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.4900	0.000	1	104.4900	0.000	1	106.2873	3.211	3	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN){1|Ni<6>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5]C[6]N[5])	108.8845	0.401	2	108.8845	0.161	2	108.8845	0.161	2	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO){1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.5760	0.000	1	107.5760	0.000	1	106.8830	0.361	3	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO){1|O<2>,4|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	106.5365	0.033	2	106.5365	0.001	2	106.8830	0.361	3	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:3:	4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H){2|N<3>,3|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]C[6]N[5])	108.1520	0.547	2	108.1520	0.300	2	108.1520	0.300	2	107.0775	2.632	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.0435	0.008	2	107.0435	0.000	2	107.0435	0.000	2	107.0435	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	B[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|F<1>,5|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[6a]B[5]C[5])	105.0880	0.000	1	105.0880	0.000	1	105.0880	0.000	1	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[6a]C[5])	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6750	0.000	1	106.6750	0.000	1	105.5242	1.544	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	103.8070	0.000	1	103.8070	0.000	1	105.5242	1.544	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.6530	0.000	1	104.6530	0.000	1	105.5242	1.544	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H){1|S<2>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.2430	0.332	2	106.2430	0.110	2	105.5242	1.544	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[6a]C[5])	108.7030	0.000	1	108.7030	0.000	1	108.1560	0.598	2	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.6090	0.000	1	107.6090	0.000	1	108.1560	0.598	2	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	B[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|F<1>,5|C<3>}	H(C[5]C[5]2C)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.5640	0.000	1	107.5640	0.000	1	107.9955	0.372	2	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H){1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.4270	0.000	1	108.4270	0.000	1	107.9955	0.372	2	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2C)	109.0270	0.000	1	109.0270	0.000	1	109.8987	11.107	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H){2|C<4>}	H(C[5]C[5]2C)	106.6785	3.765	2	106.6785	14.178	2	109.8987	11.107	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H){1|O<1>,1|O<2>}	H(C[5]C[5]2C)	111.7860	0.000	1	111.7860	0.000	1	109.8987	11.107	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	106.4530	0.000	1	106.4530	0.000	1	109.8987	11.107	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	108.7140	0.000	1	108.7140	0.000	1	109.8987	11.107	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H){1|C<3>}	H(C[5]C[5]2C)	112.0330	1.445	2	112.0330	2.089	2	109.8987	11.107	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H){1|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	H(C[5]C[5]2C)	112.7920	4.417	2	112.7920	19.506	2	109.8987	11.107	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2C)	107.3507	0.250	3	107.4180	0.045	5	107.6776	0.254	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.5190	0.148	2	107.4180	0.045	5	107.6776	0.254	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.4120	0.000	1	107.4120	0.000	1	107.6776	0.254	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H){4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[5]C[5]2C)	108.0685	0.602	4	108.0685	0.362	4	107.6776	0.254	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.9605	0.016	2	109.9605	0.000	2	110.3297	0.516	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.9910	0.000	1	109.9910	0.000	1	110.3297	0.516	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	111.4070	0.000	1	111.4070	0.000	1	110.3297	0.516	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<1>,1|O<2>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<1>,1|O<2>,7|C<3>}	H(C[5]C[5]3)	100.8660	0.000	1	100.8660	0.000	1	100.8660	0.000	1	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4950	0.000	1	107.4950	0.000	1	107.7504	0.308	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H){4|C<3>}	H(C[5]C[6a]C[5]2)	107.2330	0.323	4	107.2330	0.105	4	107.7504	0.308	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.2423	0.328	3	108.2154	0.061	5	107.7504	0.308	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.1750	0.150	2	108.2154	0.061	5	107.7504	0.308	10	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.8265	0.718	2	106.8265	0.515	2	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.8025	0.455	2	106.8025	0.207	2	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.3200	0.000	1	107.3200	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.1815	0.230	2	108.1815	0.053	2	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.7460	0.000	1	106.4965	3.167	4	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	105.9885	2.715	2	106.4965	3.167	4	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.2630	0.000	1	106.4965	3.167	4	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3540	0.000	1	108.3540	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.9700	0.000	1	106.9700	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.7910	0.000	1	106.7910	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.3520	0.000	1	107.3520	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8030	0.000	1	106.9597	5.954	4	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	105.4320	2.755	2	106.9597	5.954	4	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	109.1720	0.000	1	106.9597	5.954	4	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.7242	0.330	4	107.8168	0.124	5	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.1870	0.000	1	107.8168	0.124	5	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3560	0.000	1	108.3560	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.2480	0.000	1	109.2480	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.6450	0.000	1	106.6450	0.000	1	107.3173	1.628	27	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.5590	0.000	1	107.5590	0.000	1	107.6267	0.007	3	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6000	0.000	1	107.6000	0.000	1	107.6267	0.007	3	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.7210	0.000	1	107.7210	0.000	1	107.6267	0.007	3	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[5]N[5]C)	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	110.4340	0.000	1	110.4340	0.000	1	109.6158	0.270	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.5620	0.000	1	109.5620	0.000	1	109.6158	0.270	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.7270	0.000	1	109.7270	0.000	1	109.6158	0.270	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H){1|S<2>,5|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.1780	0.116	2	109.1780	0.013	2	109.6158	0.270	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.7535	1.709	2	111.7535	2.921	2	111.0970	1.705	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.9250	0.000	1	110.9250	0.000	1	111.0970	1.705	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	109.9560	0.000	1	109.9560	0.000	1	111.0970	1.705	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.3200	0.000	1	110.3200	0.000	1	110.3190	0.030	3	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.4930	0.000	1	110.4930	0.000	1	110.3190	0.030	3	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.1440	0.000	1	110.1440	0.000	1	110.3190	0.030	3	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	107.8100	0.000	1	107.8100	0.000	1	109.4207	2.299	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	111.4700	0.000	1	111.4700	0.000	1	109.4207	2.299	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]C)	109.2015	0.086	2	109.2015	0.007	2	109.4207	2.299	4	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2N[5])	109.8530	0.330	5	109.8530	0.109	5	109.8530	0.109	5	108.2960	4.270	101	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.2200	0.000	1	107.2200	0.000	1	106.5195	0.981	2	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	105.8190	0.000	1	105.8190	0.000	1	106.5195	0.981	2	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	H(C[5]C[5a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.2395	0.721	2	107.2395	0.519	2	107.2395	0.519	2	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.3750	0.000	1	107.1120	0.138	2	107.1120	0.138	2	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.8490	0.000	1	107.1120	0.138	2	107.1120	0.138	2	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:Si-4:O-2:	C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	105.0520	0.000	1	105.0520	0.000	1	105.0520	0.000	1	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7085	0.439	2	106.7085	0.193	2	106.7085	0.193	2	106.5007	0.838	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H){2|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	106.7302	4.601	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO){1|C<2>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5020	0.000	1	104.5020	0.000	1	104.5020	0.000	1	106.7302	4.601	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	106.7302	4.601	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCCH)(COO)	H(C[5]C[5]2C)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCCH)(COO){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	106.7302	4.601	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.7302	4.601	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	106.6370	0.000	1	107.8030	2.719	2	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|O<2>}	H(C[5]C[5]2C)	108.9690	0.000	1	107.8030	2.719	2	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.1840	0.000	1	107.1840	0.000	1	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.7590	0.000	1	108.7590	0.000	1	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){2|H<1>}	H(C[5]C[5]2C)	106.1030	0.000	1	106.1030	0.000	1	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	H(C[5]C[5]2C)	106.1947	0.649	4	107.5244	9.156	5	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	H(C[5]C[5]2C)	112.8430	0.000	1	107.5244	9.156	5	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,1|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<3>}	H(C[5]C[5]2C)	110.5930	0.000	1	110.4392	0.027	6	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<3>}	H(C[5]C[5]2C)	110.4084	0.164	5	110.4392	0.027	6	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,1|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<5>,1|C<3>}	H(C[5]C[5]2C)	110.5060	0.000	1	110.2726	0.352	7	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<6>,1|C<3>}	H(C[5]C[5]2C)	110.2337	0.640	6	110.2726	0.352	7	109.1225	4.114	23	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.7845	0.387	2	106.0520	1.426	4	106.3170	1.421	5	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]2)	105.3195	1.408	2	106.0520	1.426	4	106.3170	1.421	5	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.3770	0.000	1	107.3770	0.000	1	106.3170	1.421	5	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.8330	0.263	2	106.8330	0.069	2	106.7587	0.051	3	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.6100	0.000	1	106.6100	0.000	1	106.7587	0.051	3	108.4412	4.601	31	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[3,5]C[6a]C[5])	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2{1|N<2>,1|S<2>,5|C<3>}	H(C[5]C[5,5]C[5a]C[5])	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7500	0.171	2	107.7500	0.029	2	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[6a]C[5])	105.7240	0.000	1	105.7240	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>,4|O<2>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1450	0.000	1	107.1450	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2{2|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0130	0.000	1	107.0130	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.4710	0.000	1	108.4710	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5880	0.641	2	106.5880	0.410	2	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2{5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	111.7280	0.000	1	111.7280	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2690	0.000	1	107.2690	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0380	0.000	1	107.0380	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1890	0.000	1	108.1890	0.000	1	107.6044	2.289	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7690	0.000	1	106.7690	0.000	1	106.7690	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2	H(C[5]C[5,6,6]C[6a]C[5])	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[6a]C[5])	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5a]C[5])	106.6865	0.709	2	106.6865	0.503	2	106.6865	0.503	2	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.5470	0.000	1	107.3198	3.006	6	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6915	0.011	2	107.3198	3.006	6	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	108.9755	2.553	2	107.3198	3.006	6	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.0380	0.000	1	107.3198	3.006	6	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.0510	0.195	3	108.0510	0.038	3	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[6a]C[5])	114.8660	0.000	1	114.8660	0.000	1	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[6a]C[5])	110.3070	0.000	1	110.3070	0.000	1	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.4040	0.266	2	107.4040	0.071	2	108.3118	5.823	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H)	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H){2|H<1>}	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2B)	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H){1|H<1>,2|C<4>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.6880	0.000	1	107.6880	0.000	1	109.0780	1.024	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.1912	0.838	4	109.1912	0.703	4	109.0780	1.024	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	110.1290	0.000	1	110.1290	0.000	1	109.0780	1.024	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H){2|C<4>}	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2C)	108.0290	0.000	1	108.0290	0.000	1	109.0780	1.024	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2C)	110.0130	0.000	1	110.0130	0.000	1	109.0780	1.024	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2C)	106.3555	0.213	2	106.3555	0.045	2	108.3290	2.554	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2C)	107.6810	0.000	1	107.6810	0.000	1	108.3290	2.554	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2C)	108.2533	1.393	3	108.2533	1.940	3	108.3290	2.554	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,2|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2C)	107.8100	0.000	1	107.8100	0.000	1	108.3290	2.554	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	109.6202	1.962	4	109.6202	3.849	4	108.3290	2.554	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.4170	0.000	2	108.4170	0.000	2	108.3290	2.554	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2{2|H<1>}	H(C[5]C[5]2C)	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2840	0.000	1	109.2840	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2C)	107.6877	0.736	7	107.7819	0.536	8	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.4410	0.000	1	107.7819	0.536	8	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.6610	0.000	1	107.6610	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.1660	0.000	1	109.1660	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2C)	110.2960	0.000	1	108.1482	8.108	6	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.3120	0.000	1	108.1482	8.108	6	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	104.5005	0.015	2	108.1482	8.108	6	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.1400	0.163	2	108.1482	8.108	6	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.6610	0.000	1	109.6610	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.7750	0.000	1	108.7750	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.4560	0.000	1	107.4560	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.6085	0.016	2	109.6085	0.000	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2C)	108.8160	0.000	1	108.1317	0.502	3	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|Si<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>}	H(C[5]C[5]2C)	107.7895	0.549	2	108.1317	0.502	3	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.4020	0.000	1	109.4020	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2C)	110.6410	0.000	1	110.6410	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2C)	112.6380	0.000	1	112.6380	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|N<3>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.3740	0.000	1	110.3740	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2C)	112.8920	0.000	1	112.8920	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2C)	110.8230	0.000	1	110.8230	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2C)	109.0970	0.000	1	109.0970	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	107.6035	1.655	2	107.6035	2.740	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.3557	0.398	3	106.8227	1.127	6	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.2897	1.344	3	106.8227	1.127	6	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	106.5370	0.000	1	106.5370	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.4840	0.000	1	108.4840	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.8390	0.000	1	107.8390	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	111.7915	5.807	2	111.7915	33.727	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	H(C[5]C[5]2C)	109.8850	0.000	1	109.8003	0.009	3	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	H(C[5]C[5]2C)	109.7580	0.083	2	109.8003	0.009	3	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	H(C[5]C[5]2C)	110.0760	0.047	2	110.0760	0.002	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H){3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{2|C<3>}	H(C[5]C[5]2C)	109.5350	0.000	1	109.5350	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2C)	109.0828	0.804	4	109.0828	0.647	4	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2C)	107.5080	0.694	2	107.5080	0.482	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2C)	107.2080	0.000	1	107.2080	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	107.3950	0.000	1	107.3950	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]2C)	107.8430	0.000	1	107.8430	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>}	H(C[5]C[5]2C)	108.9230	0.000	1	108.9230	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2C)	106.8940	0.091	2	106.8940	0.008	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2C)	108.5720	0.000	1	108.5720	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2C)	108.0185	0.081	2	108.0185	0.007	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2C)	108.4590	0.000	1	108.4590	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2C)	111.5030	0.477	2	111.5030	0.227	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2C)	111.5650	0.000	1	111.5650	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.5420	0.000	1	108.5420	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2C)	108.9710	0.000	1	108.9710	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2C)	108.0612	0.782	5	108.0612	0.612	5	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2C)	107.9300	0.000	1	107.9300	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2C)	108.3450	2.528	5	108.3450	6.392	5	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]2C)	109.2110	0.000	1	109.2110	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2C)	108.8370	0.000	1	102.2824	85.926	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<2>}	H(C[5]C[5]2C)	95.7278	0.000	1	102.2824	85.926	2	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2C)	108.5030	0.000	1	108.5030	0.000	1	108.4850	5.139	87	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O){1|O<1>}	H(C[5]C[5]2C)	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(S[5]N[5]CO)(H)2	H(C[5]C[5]2C)	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(S[5]N[5]CO)(H)2{1|O<1>}	H(C[5]C[5]2C)	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2N)	111.1550	0.000	1	111.1550	0.000	1	109.9900	1.021	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|C<4>}	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2N)	109.3500	0.000	1	109.3500	0.000	1	109.9900	1.021	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2N)	109.4650	0.000	1	109.4650	0.000	1	109.9900	1.021	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2P)	105.2050	0.034	2	105.2050	0.001	2	105.2050	0.001	2	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2S)	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	106.6185	2.330	2	106.6185	5.429	2	106.6185	5.429	2	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]2)	106.8430	0.000	1	106.8430	0.000	1	107.7090	1.500	2	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.5750	0.000	1	108.5750	0.000	1	107.7090	1.500	2	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	107.3993	0.772	3	107.3993	0.596	3	108.0228	1.028	5	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.9580	0.069	2	108.9580	0.005	2	108.0228	1.028	5	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.4530	0.000	1	106.4530	0.000	1	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.9350	0.000	1	108.9350	0.000	1	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.0450	0.004	2	107.0450	0.000	2	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.7720	0.240	3	106.7720	0.058	3	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.0815	0.449	4	108.2715	0.289	6	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.2010	0.000	1	108.2715	0.289	6	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.1020	0.000	1	108.2715	0.289	6	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.5010	1.462	2	108.5010	2.138	2	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{5|C<3>}	H(C[5]C[6a]C[5]2)	106.5395	0.057	2	106.5395	0.003	2	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2{6|C<3>}	H(C[5]C[6a]C[5]2)	107.3950	0.000	1	107.3950	0.000	1	107.6055	0.947	18	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H){2|Br<1>,1|H<1>,1|N<3>}	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]C)	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]C)	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9300	0.000	1	109.9300	0.000	1	110.6920	2.438	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]C)	109.6580	0.000	1	109.6580	0.000	1	110.6920	2.438	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	112.4880	0.000	1	112.4880	0.000	1	110.6920	2.438	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	110.2905	0.217	2	110.2905	0.047	2	109.4322	1.025	4	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.3720	0.000	1	108.3720	0.000	1	109.4322	1.025	4	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5]N[5]C)	108.7760	0.000	1	108.7760	0.000	1	109.4322	1.025	4	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(Cl)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(Cl)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2535	0.387	2	109.2535	0.150	2	109.2535	0.150	2	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.0040	0.000	1	109.0040	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.9730	0.000	1	110.9730	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	111.3940	0.000	1	111.3940	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.4920	0.206	2	110.4920	0.043	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	112.3460	0.000	1	111.3890	2.637	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.6460	0.165	2	111.3890	2.637	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	112.6535	0.576	2	111.3890	2.637	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.8130	0.000	1	108.8130	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2330	0.000	1	109.2330	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.7770	2.827	3	110.7770	7.990	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	111.1380	1.124	2	110.1884	0.735	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.6720	0.000	1	110.1884	0.735	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.9885	1.121	2	110.1884	0.735	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7760	0.000	1	110.1884	0.735	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9030	0.380	2	110.1884	0.735	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.8170	0.000	1	108.9950	0.740	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	108.1010	0.000	1	108.9950	0.740	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0670	0.000	1	108.9950	0.740	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	110.4030	0.000	1	110.4030	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.5650	0.000	1	109.5650	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.6130	0.064	2	109.5588	0.058	4	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5045	0.400	2	109.5588	0.058	4	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	106.6573	0.163	4	107.0290	0.711	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5160	0.000	1	107.0290	0.711	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3407	0.687	4	109.6642	0.404	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9878	0.439	4	109.6642	0.404	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9730	0.000	1	108.9730	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0620	0.000	1	109.0620	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.7470	0.000	1	109.7470	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9770	0.099	2	109.1860	0.136	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6040	0.000	1	109.1860	0.136	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0930	0.107	2	110.0930	0.012	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4650	0.000	1	109.4650	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0610	0.000	1	109.0610	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	110.0090	0.000	1	110.6608	7.245	12	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.3205	2.146	2	110.6608	7.245	12	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	111.3401	3.298	7	110.6608	7.245	12	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9490	0.300	2	110.6608	7.245	12	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.7410	0.000	1	109.5450	0.031	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.5453	0.154	3	109.5450	0.031	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.3480	0.000	1	109.5450	0.031	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]N[5]C)	109.2290	0.000	1	109.2290	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.4047	0.184	3	110.4047	0.034	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7430	0.000	1	109.7430	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	112.3565	0.624	2	109.8710	1.991	23	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6723	1.345	16	109.8710	1.991	23	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5126	0.816	5	109.8710	1.991	23	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	109.3727	0.237	3	109.3727	0.056	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	113.6720	0.000	1	113.6720	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.8335	0.197	2	110.8335	0.039	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0480	0.045	2	109.0480	0.002	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5]N[5]C)	110.0870	0.000	1	110.0870	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2945	0.278	2	109.2945	0.077	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.5085	0.203	2	109.5085	0.041	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	107.5590	0.528	3	107.4794	0.158	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]N[5]C)	107.3600	0.163	2	107.4794	0.158	5	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H)	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H){2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]N[5]C)	108.8250	0.321	2	108.8250	0.103	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.4253	0.913	3	110.2092	0.743	4	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]N[5]C)	109.5610	0.000	1	110.2092	0.743	4	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.1670	0.000	1	108.1670	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	110.0870	0.000	1	110.0870	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]N[5]C)	107.1410	0.000	1	107.1410	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	108.2410	0.000	1	108.2410	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]C)	109.1630	0.925	2	109.1630	0.855	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3150	0.000	1	109.3150	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]C)	108.2885	1.197	8	108.2885	1.432	8	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6630	0.615	8	109.7329	0.335	11	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9193	0.526	3	109.7329	0.335	11	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.0970	0.000	1	108.0970	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]N[5]C)	109.6860	0.000	1	109.6860	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]N[5]C)	108.7310	0.000	1	108.7310	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H)	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]C)	109.5380	0.000	1	109.5380	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.8980	0.000	1	109.8980	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]N[5]C)	107.9690	0.000	1	107.9690	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9610	0.000	1	108.9610	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.2880	0.000	1	108.2880	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	108.5683	0.937	4	108.9051	0.706	7	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3543	0.519	3	108.9051	0.706	7	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	107.8585	0.216	2	107.8585	0.047	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.8565	0.173	2	109.8407	0.014	4	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.8980	0.000	1	109.8407	0.014	4	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7520	0.000	1	109.8407	0.014	4	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.6940	0.000	1	109.6940	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0010	0.000	1	110.0010	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	109.5210	0.000	1	109.5210	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.3410	0.000	1	108.3410	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2030	0.000	1	109.2030	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]C)	110.1730	0.000	1	110.1730	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.1340	0.000	1	108.1340	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1960	0.000	1	110.1960	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.6940	0.000	1	110.6940	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2450	0.000	1	109.2450	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.6090	0.000	1	109.6090	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.9660	0.000	1	109.9660	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.7445	0.019	2	109.7445	0.000	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0160	0.000	1	110.0160	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2660	0.000	1	110.2660	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|Br<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.9940	0.000	1	109.9940	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.5335	0.107	2	110.5335	0.011	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.8860	0.000	1	109.8860	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2600	0.000	1	110.2600	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5225	0.866	2	109.5225	0.750	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.1290	0.000	1	110.1290	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2320	0.000	1	109.6217	0.119	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<5>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8165	0.098	2	109.6217	0.119	3	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]N[5]C)	109.0455	0.349	2	109.0455	0.122	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2{1|C<4>}	H(C[5]C[5]N[5]C)	109.0025	0.189	2	109.0025	0.036	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H){2|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	110.2650	0.000	1	110.2650	0.000	1	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]N[5]C)	109.7440	0.117	2	109.7440	0.014	2	109.5793	1.815	205	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.4025	0.326	2	108.8107	0.650	4	109.2733	0.452	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2N[5])	109.2190	1.085	2	108.8107	0.650	4	109.2733	0.452	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	109.6680	0.547	6	109.6680	0.299	6	109.2733	0.452	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2N[5])	109.1007	0.219	3	109.1007	0.048	3	109.2733	0.452	13	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2	H(C[5]C[5]N[5]P)	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]P)	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2	H(C[5]C[5]N[5]S)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]S)	111.0030	0.069	2	111.0030	0.005	2	111.9223	2.538	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2	H(C[5]C[5]N[5]S)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]S)	113.7610	0.000	1	113.7610	0.000	1	111.9223	2.538	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]Si)	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Al<5>,2|H<1>}	H(C[5]C[5]O[5]C)	105.3363	2.872	4	105.3363	8.247	4	108.7003	8.688	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<5>,2|H<1>}	H(C[5]C[5]O[5]C)	110.4677	0.193	3	110.4105	0.038	4	108.7003	8.688	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<6>,2|H<1>}	H(C[5]C[5]O[5]C)	110.2390	0.000	1	110.4105	0.038	4	108.7003	8.688	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mg<4>,2|H<1>}	H(C[5]C[5]O[5]C)	109.7295	0.428	2	109.7295	0.183	2	108.7003	8.688	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mn<6>,2|H<1>}	H(C[5]C[5]O[5]C)	110.2490	0.000	1	110.2490	0.000	1	108.7003	8.688	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ni<6>,2|H<1>}	H(C[5]C[5]O[5]C)	111.7090	0.000	1	111.7090	0.000	1	108.7003	8.688	12	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.2730	0.897	2	107.2730	0.804	2	107.2730	0.804	2	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]S[5]C)	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[5]N[5,5]C[6a]C[5])	105.0850	0.000	1	105.0850	0.000	1	105.0850	0.000	1	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6625	1.234	2	109.1270	0.895	4	109.1280	0.659	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5915	0.129	2	109.1270	0.895	4	109.1280	0.659	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7340	0.638	2	109.1290	0.641	4	109.1280	0.659	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5240	0.229	2	109.1290	0.641	4	109.1280	0.659	8	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<1>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<1>,8|C<3>}	H(C[5]C[6a]C[5]P[5])	107.7540	0.000	1	107.6770	0.012	2	107.4357	0.181	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<2>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<2>,8|C<3>}	H(C[5]C[6a]C[5]P[5])	107.6000	0.000	1	107.6770	0.012	2	107.4357	0.181	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){2|H<1>,8|C<3>}	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2{8|C<3>}	H(C[5]C[6a]C[5]P[5])	106.9530	0.000	1	106.9530	0.000	1	107.4357	0.181	3	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	107.6735	0.177	4	107.6735	0.031	4	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	106.4980	0.500	4	106.4980	0.250	4	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	106.8836	0.729	16	107.0490	0.603	19	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	107.9313	0.232	3	107.0490	0.603	19	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Si<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	106.4750	0.000	1	107.1632	1.639	6	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	108.5180	0.000	1	107.1632	1.639	6	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]P[5])	106.9965	1.387	4	107.1632	1.639	6	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|H<1>,4|C<3>}	H(C[5]C[6a]C[5]P[5])	105.8420	0.672	4	105.8420	0.452	4	106.9450	0.820	37	108.8239	3.331	477	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[3,5]C[6a]C[5])	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	104.5520	0.000	1	104.5520	0.000	1	104.5520	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,6]2C[5])	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H){2|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]2C[5])	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5a]C[5])	106.7050	0.000	1	106.7050	0.000	1	106.7050	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H){1|C<4>,1|O<2>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.5080	0.000	1	106.5080	0.000	1	106.2867	0.229	3	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.1760	0.619	2	106.1760	0.384	2	106.2867	0.229	3	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.2170	0.000	1	108.2170	0.000	1	108.0035	0.763	11	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.9821	0.918	10	107.9821	0.843	10	108.0035	0.763	11	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CN)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,4|C<4>}	H(C[5]C[5]2C)	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	H(C[5]C[5]2C)	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	109.4495	0.952	2	109.4495	0.907	2	108.6441	2.941	8	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	112.1440	0.000	1	112.1440	0.000	1	108.6441	2.941	8	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H){1|O<1>}	H(C[5]C[5]2C)	106.9330	0.000	1	106.9330	0.000	1	108.6441	2.941	8	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H){1|O<1>}	H(C[5]C[5]2C)	107.9660	0.000	1	107.9660	0.000	1	108.6441	2.941	8	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]2C)	107.9320	0.223	2	107.9320	0.050	2	108.6441	2.941	8	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.3470	0.000	1	107.3470	0.000	1	108.6441	2.941	8	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2C)	107.5940	0.000	1	107.5940	0.000	1	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	107.9880	0.000	1	107.9880	0.000	1	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	107.0590	0.000	1	107.0590	0.000	1	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2C)	107.3770	0.000	1	108.3910	0.922	7	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5]2C)	107.7340	1.281	2	108.3910	0.922	7	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5]2C)	108.9730	0.464	4	108.3910	0.922	7	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	108.5540	0.000	1	108.2096	0.715	5	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]2C)	108.3900	0.000	1	108.2096	0.715	5	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5]2C)	106.7190	0.000	1	108.2096	0.715	5	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	108.7940	0.000	1	108.2096	0.715	5	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.5910	0.000	1	108.2096	0.715	5	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	105.5000	0.000	1	105.5000	0.000	1	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	106.8490	0.000	1	106.8490	0.000	1	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.0640	0.000	2	110.0640	0.000	2	108.1528	1.466	19	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	106.0770	0.000	1	106.0770	0.000	1	106.0770	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[4,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H)	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]N[4,5]C[5]2)	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H){1|C<5>,1|C<6>,1|O<2>,3|H<1>,3|O<1>,4|C<4>}	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<5>,2|H<1>,5|C<4>}	H(C[5]N[4,5]C[5]2)	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	108.5895	0.664	4	108.5895	0.441	4	108.6770	0.369	5	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5]N[5]C)	109.0270	0.000	1	109.0270	0.000	1	108.6770	0.369	5	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H)	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H){1|O<1>}	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<4>}	H(C[5]C[5]N[5]C)	110.9845	0.402	2	110.9845	0.162	2	110.9845	0.162	2	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1730	0.477	2	109.1730	0.227	2	109.1730	0.227	2	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5580	0.000	1	108.5580	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.5840	0.000	1	108.5840	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.3990	0.000	1	109.3990	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.5070	0.016	2	109.5960	0.024	3	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7740	0.000	1	109.5960	0.024	3	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	108.7700	0.000	1	108.7265	0.004	2	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.6830	0.000	1	108.7265	0.004	2	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5730	0.000	1	109.5730	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.5150	0.000	1	109.5150	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.8455	0.136	2	108.8455	0.019	2	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.5985	0.753	2	109.5985	0.567	2	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	115.4090	0.000	1	115.4090	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.3240	0.000	1	109.3240	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	108.1250	0.000	1	108.1250	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8680	0.000	1	108.8680	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8420	1.110	5	109.8420	1.232	5	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	109.9270	0.000	1	109.9270	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.4780	0.000	1	109.0890	0.444	3	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]N[5]C)	108.8945	0.812	2	109.0890	0.444	3	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.9135	0.272	2	108.9135	0.074	2	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	111.9720	0.000	1	111.9720	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.1810	0.054	2	109.1810	0.003	2	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.9075	0.689	2	108.9075	0.475	2	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	108.4230	0.000	1	108.4230	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H){2|C<3>}	H(C[5]C[5]N[5]C)	109.8030	0.000	1	109.8030	0.000	1	109.4747	1.666	36	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|O<2>}	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]N[5]C)	110.3690	0.000	2	110.3690	0.000	2	109.7290	1.229	3	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H){1|O<1>,1|S<2>,2|C<4>}	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	108.4490	0.000	1	108.4490	0.000	1	109.7290	1.229	3	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2N[5])	109.1187	0.223	3	109.1187	0.050	3	109.4497	0.472	4	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>,3|O<2>}	H(C[5]C[5]2N[5])	110.4430	0.000	1	110.4430	0.000	1	109.4497	0.472	4	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H)	H(C[5]C[5]N[5]S)	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]S)	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:S[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]S[5]C)	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	108.6797	2.270	108	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:2:	4:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(CN)2	H(C[5]C[3x5]C[6a]C[5])	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(CN)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[3x5]C[6a]C[5])	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.9726	1.131	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	107.9726	1.131	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	H(C[5]C[5]2C)	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	H(C[5]C[5]2C)	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	107.9726	1.131	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	H(C[5]C[5]2S)	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	H(C[5]C[5]2S)	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	107.9726	1.131	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.0365	0.262	2	107.0365	0.069	2	107.0365	0.069	2	107.9726	1.131	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-2:C-2:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]C)(N[5]C[5])(CN)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]C)(N[5]C[5])(CN){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.2185	0.368	2	109.2185	0.136	2	109.2185	0.136	2	107.9726	1.131	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:3:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-2:C-3:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:2:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	H(C[5]C[5]2C)	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	111.0663	0.118	3	111.0663	0.014	3	111.0663	0.014	3	111.0663	0.014	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5a]C[5])	108.5290	0.000	1	108.5290	0.000	1	107.9920	0.577	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5a]C[5])	107.4550	0.000	1	107.4550	0.000	1	107.9920	0.577	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5a]C[5])	106.4400	0.211	2	106.4400	0.044	2	106.4400	0.044	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H){2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,5]C[5a]C[5])	106.3610	0.431	2	106.3610	0.186	2	106.3610	0.186	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5440	0.000	1	107.5440	0.000	1	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|S<2>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4800	0.767	2	106.8497	1.486	3	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,3|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.5890	0.000	1	106.8497	1.486	3	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.2760	0.000	1	105.2760	0.000	1	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H){4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3780	0.000	1	107.3780	0.000	1	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2070	0.000	1	107.2105	0.000	2	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2140	0.000	1	107.2105	0.000	2	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.3590	0.206	2	104.3590	0.043	2	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9025	0.308	2	106.9025	0.095	2	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3820	0.000	1	107.3820	0.000	1	106.5441	1.507	13	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H){1|H<1>,2|C<4>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.1280	0.113	2	106.1280	0.013	2	106.1280	0.013	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.8350	0.000	1	105.8350	0.000	1	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1853	1.082	3	106.9253	1.052	4	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.1450	0.000	1	106.9253	1.052	4	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2440	0.000	1	107.2440	0.000	1	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6330	0.000	1	106.8590	0.102	2	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0850	0.000	1	106.8590	0.102	2	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8425	1.156	2	106.8594	0.357	5	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9410	0.000	1	106.8594	0.357	5	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<1>,5|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8355	0.289	2	106.8594	0.357	5	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H){1|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9250	0.000	1	107.9250	0.000	1	106.9086	0.539	14	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H){2|H<1>,3|C<4>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.2150	0.000	1	107.2150	0.000	1	108.0065	1.253	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H){1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5]2C)	108.7980	0.000	1	108.7980	0.000	1	108.0065	1.253	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H){1|C<4>,2|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.8675	0.214	2	108.8675	0.046	2	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2C)	108.1930	0.000	1	108.1930	0.000	1	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H)	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H){1|Si<4>,2|H<1>}	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.3610	0.000	1	109.3610	0.000	1	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|H<1>}	H(C[5]C[5]2C)	111.4460	0.000	1	111.4460	0.000	1	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|O<1>,1|S<4>}	H(C[5]C[5]2C)	108.2060	0.000	1	108.2060	0.000	1	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	105.3280	0.000	1	105.3280	0.000	1	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H){1|O<1>}	H(C[5]C[5]2C)	108.5030	0.000	1	108.5030	0.000	1	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	H(C[5]C[5]2C)	108.3510	0.000	1	108.3510	0.000	1	108.5692	2.495	9	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H){1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2C)	107.1830	0.000	1	107.1830	0.000	1	108.4343	2.031	10	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H){1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.2670	0.000	1	108.2670	0.000	1	108.4343	2.031	10	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	107.0430	1.001	2	107.0430	1.003	2	108.4343	2.031	10	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	108.9440	0.000	1	109.5930	3.030	3	108.4343	2.031	10	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.9175	2.330	2	109.5930	3.030	3	108.4343	2.031	10	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.7730	0.000	1	107.7730	0.000	1	108.4343	2.031	10	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H){2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H){1|O<1>,4|C<3>}	H(C[5]C[5]2C)	109.1275	0.573	2	109.1275	0.329	2	108.4343	2.031	10	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	106.5097	1.109	3	106.5097	1.230	3	106.5097	1.230	3	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.5160	0.000	1	107.5160	0.000	1	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.7400	0.000	1	107.7905	0.005	2	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.8410	0.000	1	107.7905	0.005	2	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.5630	0.000	1	107.5630	0.000	1	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.3855	0.077	2	108.3855	0.006	2	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.6740	0.000	1	108.0338	0.372	9	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.8690	0.000	1	108.0338	0.372	9	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.5168	0.362	4	108.0338	0.372	9	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.8980	0.234	3	108.0338	0.372	9	107.9823	0.272	15	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.5425	0.120	2	108.5425	0.014	2	108.4597	0.028	3	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.2940	0.000	1	108.2940	0.000	1	108.4597	0.028	3	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:Br-1:	C[5]-4:	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(Br)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(Br){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.4125	0.128	2	106.4125	0.016	2	106.4125	0.016	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.9930	0.443	2	107.9930	0.196	2	107.9930	0.196	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.3310	0.000	1	107.3210	2.040	2	107.1656	4.060	5	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.3110	0.000	1	107.3210	2.040	2	107.1656	4.060	5	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.9840	0.000	1	107.9840	0.000	1	107.1656	4.060	5	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	104.0670	0.000	1	104.0670	0.000	1	107.1656	4.060	5	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H){6|C<3>}	H(C[5]C[6a]C[5]2)	109.1350	0.000	1	109.1350	0.000	1	107.1656	4.060	5	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.0585	0.200	2	108.2143	0.093	3	108.2143	0.093	3	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.5260	0.000	1	108.2143	0.093	3	108.2143	0.093	3	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl){2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.3340	0.000	1	108.3340	0.000	1	107.0205	3.451	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H){4|C<3>}	H(C[5]C[6a]C[5]2)	105.7070	0.000	1	105.7070	0.000	1	107.0205	3.451	2	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:P[5]-4:H-1:	B[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]P[5])	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H){2|H<1>,7|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,9|C<3>}	H(C[5]C[6a]C[5]P[5])	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H){1|S<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]C)	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	107.4620	0.000	1	107.4620	0.000	1	109.4949	0.964	7	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.5180	0.000	1	109.5180	0.000	1	109.4949	0.964	7	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.2040	0.000	1	110.2040	0.000	1	109.4949	0.964	7	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H)	C[5](C[5]C[5]O[5]C)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]N[5]CH)(COO)(H){4|C<4>}	H(C[5]C[5]N[5]C)	110.1975	0.177	2	110.1975	0.032	2	109.4949	0.964	7	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>}	H(C[5]C[5]N[5]C)	109.4425	0.349	2	109.4425	0.122	2	109.4949	0.964	7	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.7795	0.425	2	108.7795	0.181	2	109.1122	0.454	6	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	110.0840	0.000	1	110.0840	0.000	1	109.1122	0.454	6	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.7600	0.000	1	108.7600	0.000	1	109.1122	0.454	6	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.5040	0.000	1	108.5040	0.000	1	109.1122	0.454	6	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]N[5]C)	109.7660	0.000	1	109.7660	0.000	1	109.1122	0.454	6	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2N[5])	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|Cu<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	107.8015	1.938	115	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:2:	4:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN)	H(C[5]C[3x5]C[6a]C[5])	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[3x5]C[6a]C[5])	104.0040	0.000	1	104.0040	0.000	1	104.0040	0.000	1	105.8718	2.198	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	105.1550	1.290	2	105.1550	1.663	2	105.1550	1.663	2	105.8718	2.198	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.8580	0.000	1	107.2115	0.836	2	106.9723	0.590	3	105.8718	2.198	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.5650	0.000	1	107.2115	0.836	2	106.9723	0.590	3	105.8718	2.198	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(COO)(CN)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(COO)(CN){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.4940	0.000	1	106.4940	0.000	1	106.9723	0.590	3	105.8718	2.198	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,7|H<1>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[3,5]C[6a]C[5])	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[4,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[4,5]C[6a]C[5])	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.0973	0.355	4	104.2738	0.250	5	104.3630	0.248	6	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,5|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.9800	0.000	1	104.2738	0.250	5	104.3630	0.248	6	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.8090	0.000	1	104.8090	0.000	1	104.3630	0.248	6	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.4545	1.403	4	104.4545	1.969	4	104.4545	1.969	4	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2350	1.051	4	107.5404	3.241	5	106.2229	4.066	9	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.7620	0.000	1	107.5404	3.241	5	106.2229	4.066	9	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5720	0.117	2	104.5760	0.013	4	106.2229	4.066	9	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5800	0.160	2	104.5760	0.013	4	106.2229	4.066	9	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	105.7558	4.361	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:3:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	H(C[5]C[5]2C)	105.8530	0.143	2	105.8530	0.020	2	105.8530	0.020	2	105.8530	0.020	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[3,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H)	H(C[5]C[3,5]N[5a]C[5])	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[3,5]N[5a]C[5])	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5652	0.699	4	107.5652	0.489	4	107.4922	1.374	6	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7120	0.000	1	105.7120	0.000	1	107.4922	1.374	6	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|S<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.9800	0.000	1	108.9800	0.000	1	107.4922	1.374	6	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9760	0.000	1	106.9760	0.000	1	106.9760	0.000	1	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.4910	0.434	2	107.4910	0.188	2	107.4910	0.188	2	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<1>}	H(C[5]C[5]2C)	109.3060	0.000	1	110.5380	3.036	2	110.5380	3.036	2	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5]2C)	111.7700	0.000	1	110.5380	3.036	2	110.5380	3.036	2	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.5880	0.000	1	110.5880	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]CH)2(CClHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(CClHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.5740	0.373	2	108.5740	0.139	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.5520	0.149	4	106.5520	0.022	4	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.0710	0.000	1	106.0710	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H)	C[5](C[5]C[5]CH)2(CClHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)2(CClHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.7920	0.389	2	109.7920	0.151	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.0370	0.000	1	106.0370	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.1220	1.870	2	107.1220	3.495	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.7600	0.433	2	106.7600	0.187	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)2(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.9620	0.000	1	108.9620	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	112.1710	0.000	1	112.1710	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	109.1210	0.000	1	109.1210	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.5255	0.077	2	106.5255	0.006	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.2600	2.440	2	107.2600	5.951	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	108.8270	0.000	1	108.8270	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2C)	110.7220	0.000	1	110.7220	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	108.1775	0.780	2	108.1775	0.608	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]2C)	107.7483	0.179	3	107.7483	0.032	3	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.5900	0.148	2	108.4790	0.048	3	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	108.2570	0.000	1	108.4790	0.048	3	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H){1|O<1>}	H(C[5]C[5]2C)	110.0075	0.288	4	110.0075	0.083	4	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	107.8805	1.216	2	107.8805	1.477	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	108.5730	0.000	1	108.5730	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]2C)	106.2910	0.000	1	106.2910	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	H(C[5]C[5]2C)	108.3200	1.202	3	108.3200	1.445	3	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H){1|O<1>}	H(C[5]C[5]2C)	104.9785	0.680	2	104.9785	0.462	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.5520	2.488	2	107.5520	6.188	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){1|O<1>}	H(C[5]C[5]2C)	107.5005	0.689	2	107.5005	0.475	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	H(C[5]C[5]2C)	107.8520	0.000	1	107.8520	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	108.3040	0.000	1	108.3040	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	108.7890	0.000	1	108.4207	0.112	3	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	108.2365	0.142	2	108.4207	0.112	3	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H){1|O<1>}	H(C[5]C[5]2C)	110.1310	0.000	1	110.1310	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>}	H(C[5]C[5]2C)	106.5570	0.000	1	106.5570	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	H(C[5]C[5]2C)	106.4913	1.372	6	106.4913	1.882	6	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H){1|O<1>}	H(C[5]C[5]2C)	108.5950	0.000	1	108.5950	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	108.2804	0.184	7	108.8498	1.459	12	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	110.7173	0.917	3	108.8498	1.459	12	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.2840	0.000	1	108.8498	1.459	12	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	H(C[5]C[5]2C)	107.7980	0.000	1	108.8498	1.459	12	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	118.1950	0.000	1	111.1393	22.213	4	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.7873	0.361	3	111.1393	22.213	4	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.1080	0.000	1	107.1080	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){1|O<1>,4|C<3>}	H(C[5]C[5]2C)	108.1030	0.000	1	108.1030	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2C)	107.6280	0.528	5	107.6280	0.279	5	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.9152	0.955	6	107.9152	0.913	6	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	106.8600	0.000	1	106.8600	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H){1|O<1>}	H(C[5]C[5]2C)	107.9920	0.228	2	107.9920	0.052	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H){1|O<1>}	H(C[5]C[5]2C)	107.6780	0.000	1	107.6780	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	108.5905	0.375	2	108.5905	0.141	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.2440	0.000	1	108.2440	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	109.0520	0.000	1	109.0520	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	107.1080	0.192	2	107.1080	0.037	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	108.7885	0.166	2	108.7885	0.028	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.5120	0.000	1	109.5120	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	108.7680	0.000	1	108.7680	0.000	1	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	108.8695	0.539	15	108.8695	0.290	15	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(C[5]C[5]2C)	107.2730	0.028	2	107.2730	0.001	2	108.2227	2.609	123	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.1760	0.000	1	108.1760	0.000	1	107.9476	0.539	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.7420	0.955	3	107.7420	0.912	3	107.9476	0.539	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.3360	0.000	1	108.3360	0.000	1	107.9476	0.539	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	108.1470	0.000	2	108.1470	0.000	2	108.1470	0.000	2	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	H(C[5]C[5]3)	105.3265	0.317	2	105.3265	0.101	2	105.3265	0.101	2	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(C[5]C[5]2N)	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2S)	109.4110	0.000	1	109.4110	0.000	1	109.0806	0.693	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2S)	109.0310	0.000	1	109.0310	0.000	1	109.0806	0.693	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2S)	107.8320	0.000	1	107.8320	0.000	1	109.0806	0.693	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2S)	109.0020	0.000	1	109.0020	0.000	1	109.0806	0.693	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|O<1>}	H(C[5]C[5]2S)	110.1270	0.000	1	110.1270	0.000	1	109.0806	0.693	5	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2Si)	106.8070	0.979	2	106.8070	0.958	2	106.8070	0.958	2	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	H(C[5]C[5]N[5]C)	108.6950	0.074	2	108.6950	0.005	2	108.6542	0.005	4	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	H(C[5]C[5]N[5]C)	108.6480	0.000	1	108.6480	0.000	1	108.6542	0.005	4	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	H(C[5]C[5]N[5]C)	108.5790	0.000	1	108.5790	0.000	1	108.6542	0.005	4	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	H(C[5]C[5]N[5]C)	108.5520	0.000	1	108.5520	0.000	1	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	107.9030	0.000	1	107.9030	0.000	1	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]C)	109.8330	0.000	1	109.6443	0.072	3	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]C)	109.5500	0.301	2	109.6443	0.072	3	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5]N[5]C)	109.7265	0.524	2	109.7265	0.275	2	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9450	0.000	1	109.9450	0.000	1	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]C)	109.3800	0.000	1	109.3800	0.000	1	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H){2|C<3>}	H(C[5]C[5]N[5]C)	109.7470	0.000	1	109.7470	0.000	1	109.3913	0.465	10	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	114.0200	0.000	1	114.0200	0.000	1	114.0200	0.000	1	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H)	H(C[5]C[5]N[5]P)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]N[5]P)	108.8755	1.003	2	108.8755	1.007	2	108.8755	1.007	2	108.3147	2.571	170	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.7060	0.748	2	108.7060	0.560	2	108.4704	0.322	5	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.4410	0.000	1	108.4410	0.000	1	108.4704	0.322	5	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.7410	0.000	1	107.7410	0.000	1	108.4704	0.322	5	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.7580	0.000	1	108.7580	0.000	1	108.4704	0.322	5	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H){3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.2860	0.000	1	109.2860	0.000	1	108.2951	2.043	7	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.7250	0.000	1	110.7250	0.000	1	108.2951	2.043	7	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.6580	0.000	1	107.6580	0.000	1	108.2951	2.043	7	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.3990	0.000	1	108.3990	0.000	1	108.2951	2.043	7	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	106.2240	0.000	1	106.2240	0.000	1	108.2951	2.043	7	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.8870	0.576	2	107.8870	0.331	2	108.2951	2.043	7	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:2:	4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	109.0310	0.136	2	109.0310	0.018	2	109.0310	0.018	2	108.5014	1.051	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.2060	0.000	1	106.2060	0.000	1	106.6196	0.078	10	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.5505	0.251	2	106.7434	0.082	5	106.6196	0.078	10	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.8720	0.265	3	106.7434	0.082	5	106.6196	0.078	10	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHN)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHN)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.8400	0.000	1	106.8400	0.000	1	106.6196	0.078	10	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CN[5a]HH)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CN[5a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.5260	0.000	1	106.5260	0.000	1	106.6196	0.078	10	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.4535	0.135	2	106.4535	0.018	2	106.6196	0.078	10	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.7375	0.206	2	106.7375	0.042	2	106.6820	0.053	4	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.6265	0.325	2	106.6265	0.105	2	106.6820	0.053	4	106.6374	0.067	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(C[5]O[5]2H)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(C[5]O[5]2H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]O[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.6855	0.015	2	108.6855	0.000	2	108.3545	1.190	13	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.9310	1.356	2	106.9310	1.839	2	108.3545	1.190	13	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	110.0000	0.000	1	110.0000	0.000	1	108.3545	1.190	13	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,2|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	107.7100	0.000	1	108.2770	0.707	7	108.3545	1.190	13	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,2|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	108.6998	0.399	5	108.2770	0.707	7	108.3545	1.190	13	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,2|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<6>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2C)	106.7300	0.000	1	108.2770	0.707	7	108.3545	1.190	13	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{1|O<1>}	H(C[5]C[5]2C)	109.4360	0.000	1	109.4360	0.000	1	108.3545	1.190	13	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.4410	0.000	1	107.4410	0.000	1	109.7433	4.805	3	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	109.9840	0.000	1	109.9840	0.000	1	109.7433	4.805	3	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3){1|H<1>,1|O<1>}	H(C[5]C[5]2C)	111.8050	0.000	1	111.8050	0.000	1	109.7433	4.805	3	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3)	H(C[5]C[5]2S)	C[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2S)	104.2450	0.000	1	104.2450	0.000	1	104.2450	0.000	1	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{3|C<4>}	H(C[5]C[5]N[5]C)	109.5420	0.000	1	109.5420	0.000	1	108.9285	0.753	2	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,1|H<1>}	H(C[5]C[5]N[5]C)	108.3150	0.000	1	108.3150	0.000	1	108.9285	0.753	2	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3){1|C<3>,1|O<1>}	H(C[5]C[5]N[5]C)	112.9050	0.000	1	112.9050	0.000	1	110.7350	9.418	2	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	108.5650	0.000	1	108.5650	0.000	1	110.7350	9.418	2	108.5133	3.044	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:4:1:	5:4:4:1:	4:	C[5]-4:N[4,5]-3:C[5]-4:H-1:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H)	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	H(C[5]N[4,5]C[5]2)	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H){1|C<5>,1|C<6>,1|O<2>,3|H<1>,3|O<1>,4|C<4>}	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	H(C[5]N[4,5]C[5]2)	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:3:5:1:	4:4:1:1:	4:	C[5]-4:O[5]-3:C-5:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(CHHOV)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(O[5]C[5]V)(CHHOV)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|V<7>,2|H<1>}	H(C[5]C[5]O[5]C)	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<2>,2|C<4>,4|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.1732	0.027	4	110.1732	0.001	4	110.2475	0.561	14	110.2475	0.561	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	H(C[5]C[5]2H)	109.4290	2.247	2	109.4290	5.050	2	110.2475	0.561	14	110.2475	0.561	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2{8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<4>,5|H<1>,7|C<3>}	H(C[5]C[5]2H)	110.1095	0.011	2	110.1095	0.000	2	110.2475	0.561	14	110.2475	0.561	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|Cl<1>,6|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.5930	0.089	4	110.6158	0.006	6	110.2475	0.561	14	110.2475	0.561	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	H(C[5]C[5]2H)	110.6615	0.029	2	110.6158	0.006	6	110.2475	0.561	14	110.2475	0.561	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6095	0.013	2	110.6095	0.000	2	110.6095	0.000	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0460	0.025	2	111.0460	0.001	2	111.0932	0.006	35	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0684	0.045	9	111.0684	0.002	9	111.0932	0.006	35	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1334	0.085	18	111.1064	0.008	24	111.0932	0.006	35	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0253	0.023	6	111.1064	0.008	24	111.0932	0.006	35	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	111.1187	0.057	19	111.1187	0.003	19	111.1187	0.003	19	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2F)	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3295	0.026	2	110.3295	0.001	2	110.3295	0.001	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.0345	0.056	2	110.0345	0.003	2	110.0345	0.003	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.8554	0.142	41	110.8170	0.049	44	110.7801	0.052	57	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.2923	0.449	3	110.8170	0.049	44	110.7801	0.052	57	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2{2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|B<3>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7530	0.008	2	110.7530	0.000	2	110.7801	0.052	57	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.2635	0.005	2	110.2635	0.000	2	110.7801	0.052	57	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7203	0.157	9	110.7203	0.025	9	110.7801	0.052	57	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3615	0.142	4	110.3615	0.020	4	110.3615	0.020	4	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7100	0.040	2	110.7100	0.002	2	110.7100	0.002	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7355	0.032	2	110.7355	0.001	2	110.7355	0.001	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.5355	2.890	2	109.5355	8.352	2	109.5355	8.352	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.5120	0.000	1	111.5120	0.000	1	111.5120	0.000	1	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5070	0.041	2	110.5523	0.007	3	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6430	0.000	1	110.5523	0.007	3	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2{1|S<2>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.7322	0.184	8	110.7322	0.034	8	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|C<4>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4188	0.131	4	110.4157	0.038	12	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.1785	0.029	2	110.4157	0.038	12	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7500	0.017	2	110.4157	0.038	12	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ni<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3640	0.088	4	110.4157	0.038	12	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2{1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7940	0.020	2	110.7940	0.000	2	110.5636	0.053	25	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.1715	0.029	2	110.1715	0.001	2	110.2113	0.314	8	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.2400	0.014	2	110.2400	0.000	2	110.2113	0.314	8	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	109.4780	0.074	2	109.4780	0.005	2	110.2113	0.314	8	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2{4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.9555	0.054	2	110.9555	0.003	2	110.2113	0.314	8	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	109.9690	2.143	2	109.9690	4.590	2	110.6500	0.773	9	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.1440	0.000	1	110.9854	0.013	5	110.6500	0.773	9	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9458	0.083	4	110.9854	0.013	5	110.6500	0.773	9	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.4925	0.016	2	110.4925	0.000	2	110.6500	0.773	9	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8975	0.032	2	110.8975	0.001	2	110.8975	0.001	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2{5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	H(C[5]C[5]2H)	110.5202	0.092	10	110.5202	0.008	10	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.6270	0.024	2	110.7685	0.027	4	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	H(C[5]C[5]2H)	110.9100	0.023	2	110.7685	0.027	4	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4735	0.050	2	110.4735	0.003	2	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6437	0.284	7	110.6437	0.081	7	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.1620	0.061	3	111.0842	0.030	12	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0631	0.206	8	111.0842	0.030	12	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0190	0.000	1	111.0842	0.030	12	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7782	0.326	12	110.7782	0.106	12	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7310	0.000	1	110.7310	0.000	1	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.3235	0.043	2	111.1278	0.053	4	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{5|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.9320	0.051	2	111.1278	0.053	4	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2{3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.0450	0.066	2	111.0450	0.004	2	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7887	0.067	4	110.7887	0.004	4	110.8028	0.088	58	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.0035	0.016	2	111.0035	0.000	2	111.0035	0.000	2	110.7814	0.191	233	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9625	0.059	2	110.9625	0.003	2	110.9625	0.003	2	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.2045	3.144	4	110.2045	9.884	4	110.2790	7.440	5	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC){1|C<2>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5770	0.000	1	110.5770	0.000	1	110.2790	7.440	5	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5]){5|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.9998	0.102	4	110.9998	0.010	4	110.9998	0.010	4	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6218	0.120	4	110.6218	0.014	4	110.9644	0.192	7	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,7|H<1>}	H(C[5]C[5]2H)	111.3340	0.000	1	111.3340	0.000	1	110.9644	0.192	7	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5]){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.4650	0.041	2	111.4650	0.002	2	110.9644	0.192	7	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2{1|N<2>,1|S<2>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.1185	0.040	2	111.1185	0.002	2	111.1185	0.002	2	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.8160	0.021	2	110.8160	0.000	2	109.7293	2.119	4	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	108.6425	1.278	2	108.6425	1.633	2	109.7293	2.119	4	110.6343	1.878	24	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[5]C[5]2H)	110.3780	0.041	2	110.3780	0.002	2	110.3780	0.002	2	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4095	0.011	2	110.4095	0.000	2	110.4213	0.002	4	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4330	0.076	2	110.4330	0.006	2	110.4213	0.002	4	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH){2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1905	0.091	4	111.1905	0.008	4	111.1905	0.008	4	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2{1|S<2>,2|O<1>,5|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	H(C[5]C[5]2H)	109.8145	0.087	2	109.8145	0.008	2	109.8145	0.008	2	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.7550	0.006	2	110.7550	0.000	2	111.1273	0.087	8	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9755	0.012	2	110.9755	0.000	2	111.1273	0.087	8	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){4|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.3893	0.059	4	111.3893	0.004	4	111.1273	0.087	8	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3495	1.685	2	110.3495	2.839	2	110.3495	2.839	2	110.7522	0.390	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	H(C[5]C[5]2H)	111.5225	1.889	2	109.3504	7.622	5	109.3504	7.622	5	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[5]C[5]2H)	106.9415	2.378	2	109.3504	7.622	5	109.3504	7.622	5	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	H(C[5]C[5]2H)	109.8240	0.000	1	109.3504	7.622	5	109.3504	7.622	5	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2{8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){3|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.0960	0.031	2	110.0960	0.001	2	110.6497	0.131	51	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5]2H)	109.9635	0.030	2	110.0818	0.017	10	110.6497	0.131	51	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.1114	0.128	8	110.0818	0.017	10	110.6497	0.131	51	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.5213	0.426	3	110.8237	0.036	39	110.6497	0.131	51	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.8489	0.143	36	110.8237	0.036	39	110.6497	0.131	51	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7385	0.032	2	110.7385	0.001	2	110.7385	0.001	2	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,4|H<1>}	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2{1|Ru<6>,4|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.6725	0.244	4	110.6725	0.060	4	110.6725	0.060	4	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|N<4>,5|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8705	0.032	2	110.8705	0.001	2	110.7587	1.899	17	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN){1|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5]2H)	110.7160	0.000	1	110.7160	0.000	1	110.7587	1.899	17	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2{3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|N<4>,5|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.7410	0.049	2	110.7410	0.002	2	110.7587	1.899	17	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2{1|Ir<8>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<8>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.6185	5.301	2	111.6185	28.103	2	110.7587	1.899	17	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7620	0.013	2	110.5722	0.046	10	110.7587	1.899	17	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.5150	0.322	4	110.5722	0.046	10	110.7587	1.899	17	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.5345	0.075	4	110.5722	0.046	10	110.7587	1.899	17	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6420	0.025	2	110.6420	0.001	2	110.5810	0.006	4	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5200	0.034	2	110.5200	0.001	2	110.5810	0.006	4	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9315	0.465	2	110.9315	0.216	2	110.9315	0.216	2	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]IrH)(H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]IrH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<8>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]N[5]H)	111.9680	4.080	2	111.9680	16.646	2	111.9680	16.646	2	110.6331	1.125	87	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5,5]C[5]H)	111.2205	0.015	2	111.2205	0.000	2	111.2205	0.000	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{2|C<3>}	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[3,5]C[5]H)	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]H)	111.1690	0.011	2	111.1690	0.000	2	110.7330	0.254	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.2970	0.011	2	110.2970	0.000	2	110.7330	0.254	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.6157	0.134	16	110.6125	0.014	22	110.6125	0.014	22	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<2>,1|S<1>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.6042	0.055	6	110.6125	0.014	22	110.6125	0.014	22	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5,6]C[5]H)	110.6180	0.024	2	110.6180	0.001	2	110.6180	0.001	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	110.6440	0.123	8	110.6440	0.015	8	110.6193	0.019	9	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	110.4220	0.000	1	110.4220	0.000	1	110.6193	0.019	9	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	110.9735	0.026	2	110.9735	0.001	2	110.9735	0.001	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	111.0355	0.019	2	111.0355	0.000	2	110.8233	0.060	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	110.6110	0.004	2	110.6110	0.000	2	110.8233	0.060	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<1>,6|C<4>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.0825	0.146	2	110.0825	0.021	2	110.0825	0.021	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0475	0.028	2	111.0475	0.001	2	110.8925	0.059	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7375	0.285	2	110.7375	0.081	2	110.8925	0.059	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	112.7535	0.153	2	112.7535	0.024	2	111.7205	0.650	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.2040	0.092	4	111.2040	0.008	4	111.7205	0.650	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7450	0.037	2	110.7450	0.001	2	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6715	0.013	2	110.6715	0.000	2	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.8965	1.076	2	111.8965	1.157	2	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4787	0.144	4	110.4787	0.021	4	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6465	0.030	2	111.0416	1.466	24	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0770	0.000	1	111.0416	1.466	24	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5870	0.124	4	111.0416	1.466	24	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1929	1.417	17	111.0416	1.466	24	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.3400	0.037	2	111.3325	0.002	4	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.3250	0.057	2	111.3325	0.002	4	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.1260	0.081	6	111.1260	0.007	6	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1425	0.023	2	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1870	0.000	1	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.3264	0.084	7	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1306	0.158	19	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6360	0.321	17	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5000	0.246	8	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9190	0.277	4	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8670	0.366	2	110.9077	0.134	60	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8788	0.108	6	110.8788	0.012	6	110.9578	0.431	110	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]Br)	107.5995	0.074	2	107.5995	0.006	2	107.5995	0.006	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]Cl)	107.7915	0.088	2	107.7915	0.008	2	107.7915	0.008	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	109.8208	0.560	4	109.8208	0.314	4	110.2893	0.331	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9635	0.005	2	110.5850	0.191	4	110.2893	0.331	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.2065	0.011	2	110.5850	0.191	4	110.2893	0.331	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6350	0.016	2	110.6350	0.000	2	110.2893	0.331	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|N<3>}	H(C[5]C[5,5]C[5]H)	110.7120	0.187	2	110.7120	0.035	2	110.7120	0.035	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6870	0.036	4	110.6870	0.001	4	110.6520	0.004	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2{2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5820	0.007	2	110.5820	0.000	2	110.6520	0.004	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4753	0.051	3	110.7468	0.035	29	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.7781	0.169	26	110.7468	0.035	29	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4758	0.381	4	110.4758	0.145	4	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.3405	0.086	2	110.6186	0.023	26	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7095	0.161	10	110.6186	0.023	26	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.5866	0.092	10	110.6186	0.023	26	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.6280	0.089	2	110.6186	0.023	26	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.5930	0.028	2	110.6186	0.023	26	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.3123	0.052	4	110.3123	0.003	4	110.6491	0.046	63	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8444	0.026	8	110.8444	0.001	8	110.8570	0.001	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.9075	0.008	2	110.9075	0.000	2	110.8570	0.001	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	112.0715	4.624	12	112.0715	21.383	12	111.9336	18.217	14	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.1060	0.038	2	111.1060	0.001	2	111.9336	18.217	14	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.4630	0.010	2	110.4630	0.000	2	110.4630	0.000	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8330	0.075	4	110.8330	0.006	4	110.7393	0.064	20	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.2970	0.017	2	110.2970	0.000	2	110.7393	0.064	20	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9340	0.000	1	110.9340	0.000	1	110.7393	0.064	20	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|H<1>,2|O<1>,4|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.5105	0.029	2	110.5105	0.001	2	110.7393	0.064	20	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.1635	0.067	2	111.1635	0.005	2	110.7393	0.064	20	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0160	0.011	2	110.7310	0.032	9	110.7393	0.064	20	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.6496	0.091	7	110.7310	0.032	9	110.7393	0.064	20	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.8017	0.126	4	110.8017	0.016	4	110.8017	0.016	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8630	0.105	12	110.8630	0.011	12	110.8457	0.010	16	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.7938	0.076	4	110.7938	0.006	4	110.8457	0.010	16	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.2810	0.038	2	111.2810	0.001	2	111.1503	0.571	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.2625	0.046	2	111.2625	0.002	2	111.1503	0.571	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9075	1.636	2	110.9075	2.675	2	111.1503	0.571	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7840	0.048	2	110.7840	0.002	2	110.7840	0.002	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:Br-1:H-1:	N[5,6]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H)	H(C[5]C[5,6]C[5]Br)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H){2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]Br)	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:Cl-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H){1|C<3>,1|O<1>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2{1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]Cl)	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2{2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.3655	0.036	2	110.3655	0.001	2	110.3402	0.029	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.5135	0.016	2	110.5135	0.000	2	110.3402	0.029	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.1415	0.042	2	110.1415	0.002	2	110.3402	0.029	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7090	0.018	2	110.7570	0.003	4	110.7570	0.003	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8050	0.011	2	110.7570	0.003	4	110.7570	0.003	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.2890	0.000	1	110.2890	0.000	1	110.4942	0.042	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.6875	0.012	2	110.6875	0.000	2	110.4942	0.042	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.4920	0.007	2	110.4920	0.000	2	110.4942	0.042	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2{5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.6020	0.044	2	110.6020	0.002	2	110.4942	0.042	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1020	0.000	1	110.1020	0.000	1	110.4942	0.042	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8540	0.037	2	110.8540	0.001	2	110.8243	0.003	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7945	0.073	2	110.7945	0.005	2	110.8243	0.003	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0250	0.000	1	111.2670	0.023	11	111.1698	0.076	13	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3140	0.144	8	111.2670	0.023	11	111.1698	0.076	13	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2000	0.028	2	111.2670	0.023	11	111.1698	0.076	13	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6355	0.016	2	110.6355	0.000	2	111.1698	0.076	13	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6510	0.042	2	110.6510	0.002	2	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3245	0.053	2	111.3245	0.003	2	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.5580	0.000	1	110.5580	0.000	1	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7110	0.006	2	110.7110	0.000	2	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0210	0.014	2	111.0210	0.000	2	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9447	0.146	4	110.9447	0.021	4	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7812	0.016	4	110.7267	0.010	10	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5850	0.045	2	110.7267	0.010	10	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8350	0.057	2	110.7267	0.010	10	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6510	0.018	2	110.7267	0.010	10	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<4>,2|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	108.4540	3.398	2	108.4540	11.549	2	110.6371	0.957	25	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.9653	0.067	12	110.9653	0.004	12	111.0153	0.008	18	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1110	0.006	2	111.1110	0.000	2	111.0153	0.008	18	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1178	0.029	4	111.1178	0.001	4	111.0153	0.008	18	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]BrH)2(Br)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,5]BrH)2(Br)(H){2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2Br)	111.4740	0.045	2	111.4740	0.002	2	111.4740	0.002	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2Br)	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{2|Br<1>,1|H<1>,2|C<3>}	H(C[5]C[5]2Br)	107.0660	0.000	1	107.0660	0.000	1	108.1110	1.461	3	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2Br)	109.4350	0.000	1	109.4350	0.000	1	108.1110	1.461	3	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2Br)	107.8320	0.000	1	107.8320	0.000	1	108.1110	1.461	3	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2Br)	110.4940	1.167	3	110.4940	1.363	3	110.4940	1.363	3	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2Br)	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2F)	110.9270	0.000	1	110.9270	0.000	1	110.0690	1.472	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2F)	109.2110	0.000	1	109.2110	0.000	1	110.0690	1.472	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4995	0.016	2	110.4995	0.000	2	110.4995	0.000	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.0400	0.183	4	110.0400	0.033	4	110.1775	0.066	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.4525	0.022	2	110.4525	0.000	2	110.1775	0.066	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2{1|N<2>,2|C<4>}	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3005	0.023	2	110.3005	0.001	2	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.7490	4.728	2	109.7490	22.351	2	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.0476	0.104	8	110.0476	0.011	8	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.2190	0.332	14	110.2190	0.110	14	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.3775	0.178	4	110.3775	0.032	4	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1167	0.060	3	110.1174	0.002	5	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.1185	0.049	2	110.1174	0.002	5	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3023	0.364	3	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1790	0.004	2	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5045	0.009	2	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.8896	3.561	5	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	109.6582	0.176	6	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<3>,2|H<1>}	H(C[5]C[5]2H)	110.2597	0.049	4	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.5424	0.263	41	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2390	0.328	7	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4047	0.216	15	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3982	0.163	12	110.4172	0.638	97	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.7120	0.191	6	109.7239	0.031	7	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.7950	0.000	1	109.7239	0.031	7	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.7850	0.000	1	109.6939	1.023	103	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	109.6930	1.017	102	109.6939	1.023	103	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3830	0.241	8	110.3830	0.058	8	110.0629	0.880	250	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.2960	0.048	2	110.2960	0.002	2	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.2170	0.025	2	110.2170	0.001	2	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.0880	0.004	2	110.2661	0.078	53	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2947	0.267	34	110.2661	0.078	53	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3053	0.142	4	110.2661	0.078	53	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0740	0.000	1	110.2661	0.078	53	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2177	0.366	12	110.2661	0.078	53	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	109.9715	0.042	2	109.9715	0.002	2	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	108.6682	2.323	6	109.3039	4.282	9	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.5753	0.044	3	109.3039	4.282	9	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.9735	0.018	2	109.9735	0.000	2	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4133	1.787	10	110.4133	3.195	10	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.8572	0.108	4	109.8572	0.012	4	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.2055	0.047	4	110.2055	0.002	4	110.1493	0.868	88	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	112.1530	1.448	2	112.1530	2.097	2	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.1418	0.029	4	110.1418	0.001	4	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	112.0652	0.890	4	110.9084	0.562	18	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6285	0.157	4	110.9084	0.562	18	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.6160	0.105	8	110.9084	0.562	18	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.3240	0.033	2	110.9084	0.562	18	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.8643	0.026	3	110.8165	0.010	4	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6730	0.000	1	110.8165	0.010	4	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(C[5]C[5]2H)	110.0175	0.094	2	110.0175	0.009	2	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	111.0560	0.053	4	111.0560	0.003	4	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2{1|C<4>,1|N<2>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.7690	0.000	1	110.7690	0.000	1	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<2>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0375	0.008	2	111.0375	0.000	2	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5260	0.051	2	110.5260	0.003	2	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3890	0.025	2	110.5599	0.803	11	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2440	2.710	2	110.5599	0.803	11	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9200	0.004	2	110.5599	0.803	11	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7447	0.098	3	110.5599	0.803	11	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4095	0.013	2	110.5599	0.803	11	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	109.9120	0.027	2	109.9120	0.001	2	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|B<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9820	0.044	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7545	0.092	4	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7588	0.097	5	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.7805	0.011	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7950	0.079	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	109.9510	0.010	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.8785	0.749	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.6275	0.105	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5852	0.084	6	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.5225	0.023	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	117.2540	7.582	2	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6927	0.105	9	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7540	0.043	7	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6550	0.174	6	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4301	0.241	20	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2675	0.050	8	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2433	0.165	10	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3960	0.041	4	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4015	0.043	4	110.6637	1.560	99	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.1780	3.065	2	110.1780	9.392	2	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5250	0.006	2	110.6028	0.006	8	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Co<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5983	0.067	4	110.6028	0.006	8	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6895	0.036	2	110.6028	0.006	8	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4890	3.001	2	110.4890	9.006	2	110.6779	1.243	163	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]BrH)2(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]BrH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.4562	0.066	11	110.4562	0.004	11	110.4562	0.004	11	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2700	0.000	1	110.4340	0.017	5	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3825	0.023	2	110.4340	0.017	5	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.5675	0.039	2	110.4340	0.017	5	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4500	0.256	6	110.4526	0.047	8	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4605	0.015	2	110.4526	0.047	8	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.6080	0.485	6	110.6080	0.235	6	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5630	0.328	7	110.5271	0.112	11	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7980	0.028	2	110.5271	0.112	11	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.1305	0.088	2	110.5271	0.112	11	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2685	0.012	2	110.2685	0.000	2	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.6534	0.224	5	110.6534	0.050	5	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	110.5250	0.008	2	110.6190	0.006	6	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{5|C<3>}	H(C[5]C[5]2H)	110.6660	0.018	4	110.6190	0.006	6	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4000	0.020	2	110.4000	0.000	2	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7427	0.159	10	110.7427	0.025	10	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.5560	0.024	2	110.2460	4.029	13	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.1707	2.452	9	110.2460	4.029	13	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2750	0.051	2	110.2460	4.029	13	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.2060	0.249	3	110.2060	0.062	3	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]2H)	110.7575	1.703	28	110.6320	2.641	42	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2810	0.008	2	110.6320	2.641	42	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	109.9580	5.291	2	110.6320	2.641	42	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.3565	0.040	4	110.6320	2.641	42	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5712	0.129	6	110.6320	2.641	42	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.3765	2.393	8	110.3757	3.684	12	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.7000	0.038	2	110.3757	3.684	12	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.0485	0.063	2	110.3757	3.684	12	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.9400	0.018	2	109.9400	0.000	2	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2083	0.249	3	110.2083	0.062	3	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	109.9570	0.000	1	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	109.9760	0.054	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5205	0.015	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2405	0.057	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5]2H)	110.4410	0.072	4	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.2138	0.071	4	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.0424	0.079	12	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.0940	0.000	1	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.0660	0.035	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.1135	0.022	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0500	0.011	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.3780	0.014	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4230	4.115	2	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0042	2.004	4	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.8703	0.144	6	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2707	0.434	26	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6524	1.260	18	110.2689	0.728	92	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2720	0.007	2	110.2720	0.000	2	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2726	0.254	10	110.2223	0.052	14	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0965	0.010	4	110.2223	0.052	14	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|O<2>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.1365	0.033	2	110.1365	0.001	2	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	109.9030	3.077	10	109.9030	9.471	10	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0476	0.071	14	110.0476	0.005	14	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2{2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5120	0.037	3	110.5120	0.001	3	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9725	0.021	2	110.9725	0.000	2	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3927	0.213	4	110.3927	0.045	4	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6415	0.019	2	110.6415	0.000	2	110.3675	1.333	275	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4130	0.004	2	110.4130	0.000	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7037	0.528	4	110.7037	0.278	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9480	0.017	3	110.9314	0.006	11	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8782	0.036	6	110.9314	0.006	11	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0660	0.030	2	110.9314	0.006	11	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7578	0.482	13	110.7847	0.190	16	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9013	0.099	3	110.7847	0.190	16	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>}	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8760	0.031	2	110.8760	0.001	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7911	0.224	18	110.8300	0.037	31	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7195	0.019	2	110.8300	0.037	31	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9139	0.111	11	110.8300	0.037	31	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3880	0.000	1	110.3880	0.000	1	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9555	3.979	2	110.9555	15.832	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	110.9810	0.058	2	110.7682	0.039	5	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.6263	0.023	3	110.7682	0.039	5	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6660	0.023	2	110.6660	0.001	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.7675	0.005	2	110.7002	0.006	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6330	0.023	2	110.7002	0.006	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.5895	0.008	2	110.5895	0.000	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	110.6500	0.013	2	110.6500	0.000	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.8400	0.000	1	111.0217	0.023	16	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	111.0338	0.148	15	111.0217	0.023	16	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0605	0.022	2	111.0605	0.000	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.1060	0.000	1	111.1060	0.000	1	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3795	1.335	4	110.3970	1.070	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4320	0.013	2	110.3970	1.070	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|Zn<4>,1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.9965	0.035	2	110.9965	0.001	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6180	0.034	2	110.6637	0.068	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.1860	0.000	1	110.6637	0.068	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5200	0.017	3	110.6637	0.068	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.6560	1.543	2	110.2715	1.299	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8870	0.020	2	110.2715	1.299	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>}	C[5](C[5]N[5]N[6])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9317	0.048	4	110.9317	0.002	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	108.8350	2.531	4	108.8350	6.407	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2740	0.007	2	110.2740	0.000	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|S<2>}	H(C[5]C[5]2H)	110.4497	0.343	4	110.4497	0.118	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7875	0.050	2	110.5794	0.119	12	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4910	0.061	4	110.5794	0.119	12	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	109.9790	0.034	2	110.5794	0.119	12	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.8640	0.212	4	110.5794	0.119	12	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6720	0.079	2	110.5260	0.035	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4530	0.188	4	110.5260	0.035	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9590	0.021	2	110.9590	0.000	2	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.2215	2.211	4	110.5448	2.615	60	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	H(C[5]C[5]2H)	111.0900	0.072	4	110.5448	2.615	60	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|S<2>,4|H<1>}	H(C[5]C[5]2H)	109.4433	0.503	3	110.5448	2.615	60	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5800	0.101	4	110.5448	2.615	60	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5065	1.734	45	110.5448	2.615	60	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6520	0.027	4	110.9676	2.514	12	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5620	0.267	4	110.9676	2.514	12	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.6887	2.846	4	110.9676	2.514	12	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.4525	0.181	8	110.4525	0.033	8	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	111.0020	0.049	4	111.0020	0.002	4	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Ir<8>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8085	0.035	2	110.7638	0.008	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Rh<8>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6530	0.007	2	110.7638	0.008	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8300	0.034	2	110.7638	0.008	6	110.6761	1.056	245	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5425	0.025	2	110.5425	0.001	2	110.5425	0.001	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3137	0.048	3	110.3137	0.002	3	110.3137	0.002	3	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6065	0.015	2	110.6065	0.000	2	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	111.2512	0.030	4	111.2636	0.001	5	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|S<4>,2|C<4>}	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5]2H)	111.3130	0.000	1	111.2636	0.001	5	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.6570	0.042	2	110.6570	0.002	2	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0030	0.017	2	111.0030	0.000	2	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.1620	1.146	2	110.5181	0.186	10	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5305	0.008	2	110.5181	0.186	10	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6345	0.040	2	110.5181	0.186	10	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.5565	0.032	2	110.5181	0.186	10	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.7070	0.011	2	110.5181	0.186	10	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.5668	0.106	5	110.5668	0.011	5	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2{1|C<3>,3|N<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.5060	0.007	2	110.5060	0.000	2	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	112.8600	0.017	2	112.8600	0.000	2	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|F<1>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5000	0.054	4	110.5000	0.003	4	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8469	0.312	16	110.8469	0.098	16	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.2300	4.578	2	110.8761	0.503	138	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8454	0.494	8	110.8761	0.503	138	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.7275	0.023	2	110.8761	0.503	138	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1510	0.024	2	110.8761	0.503	138	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8704	0.610	124	110.8761	0.503	138	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9013	0.683	8	110.9013	0.466	8	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.6100	0.013	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8485	0.015	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2395	0.022	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3192	0.105	4	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7236	0.559	16	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.0918	0.347	6	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.1500	0.415	5	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.0325	0.045	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7740	0.000	1	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.9615	0.370	4	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7663	0.065	10	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9425	0.011	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	113.3970	6.941	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4315	0.347	10	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6070	0.581	5	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1703	0.138	3	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9625	0.016	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0410	0.014	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7340	0.006	2	110.6941	0.985	82	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1683	1.260	4	110.1683	1.588	4	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Rh<5>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	109.9840	0.607	3	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.9380	0.020	2	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	111.0293	0.034	4	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,2|N<3>,3|H<1>}	H(C[5]C[5]2H)	105.9495	3.470	2	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[5]C[5]2H)	109.8448	0.347	8	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Cu<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5782	0.047	4	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.9455	0.064	2	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8680	0.004	2	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6424	0.112	7	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5475	0.229	16	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7737	0.158	12	110.3723	1.031	62	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.2075	0.011	2	110.2075	0.000	2	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3510	2.582	2	110.4892	1.021	8	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5353	0.292	6	110.4892	1.021	8	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9360	0.682	4	111.2142	0.338	12	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3534	0.516	8	111.2142	0.338	12	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.5330	0.024	2	111.5330	0.001	2	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)2(H)2	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)2(H)2{2|C<3>}	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6857	0.111	4	110.6857	0.012	4	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)2(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)2(H)2{2|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|Pd<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6763	0.081	4	110.6763	0.007	4	110.7376	0.702	376	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2860	0.052	4	110.2860	0.003	4	110.2838	0.065	59	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.2455	0.005	2	110.2455	0.000	2	110.2838	0.065	59	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.6840	0.000	1	110.2664	0.092	10	110.2838	0.065	59	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3311	0.237	9	110.2664	0.092	10	110.2838	0.065	59	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2912	0.283	37	110.2912	0.080	37	110.2838	0.065	59	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2787	0.088	6	110.2787	0.008	6	110.2838	0.065	59	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5055	0.145	2	110.5055	0.021	2	110.7722	0.440	27	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1665	0.834	2	110.7935	0.469	25	110.7722	0.440	27	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6955	0.019	2	110.7935	0.469	25	110.7722	0.440	27	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8626	0.695	21	110.7935	0.469	25	110.7722	0.440	27	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8245	0.091	2	110.8245	0.008	2	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3650	0.020	2	111.3650	0.000	2	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1995	0.009	2	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.8525	0.032	2	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.3135	0.030	2	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7148	0.020	4	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.4840	0.013	2	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.7002	0.098	4	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6540	0.000	1	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5735	0.008	2	110.7979	0.071	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	111.3230	0.014	2	111.3230	0.000	2	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5869	0.094	26	110.5869	0.009	26	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7140	0.033	2	110.7032	0.001	4	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6925	0.013	2	110.7032	0.001	4	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.9510	0.179	6	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0536	0.165	9	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8093	0.040	3	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9695	0.052	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7535	0.143	11	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8735	0.011	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4455	0.054	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	H(C[5]C[5]2H)	110.4210	0.008	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0045	0.012	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2980	0.279	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4235	0.036	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7845	0.073	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.7090	0.000	1	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7570	0.000	1	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.6845	0.574	10	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7662	0.183	4	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7285	0.039	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.5411	0.610	35	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6105	0.006	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9440	0.008	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	109.4320	1.119	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5791	0.216	8	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7385	0.016	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7628	0.113	12	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.7393	0.253	3	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9720	0.033	2	110.6833	0.196	131	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.2750	0.008	2	110.2750	0.000	2	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6200	0.853	34	110.6276	0.444	57	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5413	0.046	3	110.6276	0.444	57	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8012	0.075	4	110.6276	0.444	57	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6792	0.219	10	110.6276	0.444	57	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5117	0.156	6	110.6276	0.444	57	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.9818	0.048	4	111.3243	1.764	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9745	0.190	4	111.3243	1.764	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	112.8115	0.405	2	111.3243	1.764	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.3695	0.054	4	111.3243	1.764	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	113.8415	3.014	2	111.3243	1.764	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	110.8510	0.050	3	111.3243	1.764	19	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,3|H<1>}	H(C[5]C[5]2H)	110.8280	0.000	1	110.8280	0.000	1	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)2(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)2(H)2{2|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0310	0.014	2	111.0373	0.001	4	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)2(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)2(H)2{2|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0435	0.035	2	111.0373	0.001	4	110.7295	0.351	269	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]2H)	110.2487	0.094	3	110.2487	0.009	3	110.5271	3.223	21	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.9210	0.041	2	110.9210	0.002	2	110.5271	3.223	21	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	109.9465	0.009	2	110.1701	1.623	14	110.5271	3.223	21	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2073	1.381	12	110.1701	1.623	14	110.5271	3.223	21	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	113.0505	5.317	2	113.0505	28.268	2	110.5271	3.223	21	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.7110	0.034	2	110.4970	0.014	12	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.4542	0.070	10	110.4970	0.014	12	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8260	0.011	2	110.8260	0.000	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2{5|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	113.5610	3.345	2	113.5610	11.186	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.4530	0.027	3	110.9818	0.108	31	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7450	0.315	6	110.9818	0.108	31	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6496	0.357	5	110.9818	0.108	31	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1838	0.060	4	110.9818	0.108	31	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8640	0.000	1	110.9818	0.108	31	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|O<2>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1648	0.108	6	110.9818	0.108	31	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9617	0.214	6	110.9818	0.108	31	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9247	0.515	3	110.9247	0.265	3	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9869	0.266	7	110.8665	0.076	13	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7260	0.233	6	110.8665	0.076	13	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.1805	0.013	2	110.1805	0.000	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4090	0.017	2	110.9345	1.784	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9020	1.448	27	110.9345	1.784	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6985	0.087	2	110.9345	1.784	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<4>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3370	0.000	1	110.9345	1.784	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7225	0.021	2	110.7225	0.000	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5740	0.006	2	110.5740	0.000	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2240	0.020	2	111.2240	0.000	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	109.9920	4.091	2	110.2830	5.693	4	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.5740	0.025	2	110.2830	5.693	4	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9130	0.006	2	110.9130	0.000	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0785	0.062	2	111.0785	0.004	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,2|H<1>}	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.1047	0.083	4	111.1047	0.007	4	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<6>,1|O<1>}	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2{1|C<6>,1|O<1>,2|H<1>,4|B<6>}	H(C[5]C[5]2H)	110.9810	0.047	3	110.9810	0.002	3	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3300	0.047	2	110.3300	0.002	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8303	0.110	4	110.8311	0.008	7	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8323	0.069	3	110.8311	0.008	7	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8427	0.043	4	110.8243	0.002	7	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7997	0.025	3	110.8243	0.002	7	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9603	1.660	11	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3082	0.773	5	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	111.0913	0.116	4	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.1137	0.087	7	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.4933	0.317	3	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9047	0.503	46	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1600	0.013	3	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,4|H<1>}	H(C[5]C[5]2H)	111.2515	0.104	2	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.6736	0.363	10	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9130	0.007	2	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5905	0.067	4	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5880	0.168	7	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8222	0.431	13	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6905	0.315	32	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3160	0.024	2	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9995	0.022	2	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0087	0.082	4	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3830	0.057	2	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Ir<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.0865	0.401	2	110.8247	0.350	161	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8313	0.723	3	110.8313	0.523	3	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.7590	0.438	26	110.5057	0.550	143	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.4252	0.787	113	110.5057	0.550	143	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|O<2>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	111.1330	0.092	4	110.5057	0.550	143	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1075	0.015	2	111.0172	0.023	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.8648	0.049	4	111.0172	0.023	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	H(C[5]C[5]2H)	111.1965	0.119	4	111.0172	0.023	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.0275	0.143	16	111.0172	0.023	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|S<2>,4|H<1>}	H(C[5]C[5]2H)	110.9417	0.127	6	111.0172	0.023	32	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5772	0.450	5	110.7482	0.120	20	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9985	0.301	4	110.7482	0.120	20	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7348	0.284	11	110.7482	0.120	20	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.6905	0.039	2	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0599	0.149	29	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2170	0.000	1	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2070	0.017	2	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8285	0.012	2	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4990	0.048	4	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	H(C[5]C[5]2H)	111.1080	0.030	2	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.7166	1.199	93	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.1323	0.118	16	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.1337	0.094	4	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8769	0.621	88	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.7313	0.427	15	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2875	0.021	2	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.6612	1.586	6	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9620	0.189	4	110.8128	0.736	270	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9935	0.029	2	110.9935	0.001	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	110.9027	0.105	4	110.9027	0.011	4	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1045	0.077	2	111.1045	0.006	2	110.7803	0.598	771	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|B<6>,4|H<1>}	H(C[5]C[5]2H)	110.9188	0.306	4	110.9596	0.037	20	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<8>,4|B<6>,4|H<1>}	H(C[5]C[5]2H)	110.9474	0.130	8	110.9596	0.037	20	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Mo<9>,4|B<6>,4|H<1>}	H(C[5]C[5]2H)	110.9922	0.201	8	110.9596	0.037	20	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7311	0.761	8	110.7311	0.580	8	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0736	0.261	7	111.0736	0.068	7	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<4>,2|H<1>}	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2{3|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.0293	0.140	4	110.0293	0.019	4	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ge<3>,2|H<1>}	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.1672	0.163	4	111.1672	0.027	4	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2{2|O<2>,3|O<3>,4|H<1>}	H(C[5]C[5]2H)	111.3558	0.088	4	111.3558	0.008	4	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<3>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.2955	0.039	4	111.2955	0.002	4	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{2|Cl<1>,1|O<2>,1|O<3>,1|S<2>,4|H<1>}	H(C[5]C[5]2H)	110.5880	0.691	8	110.7841	0.306	16	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.9801	0.300	8	110.7841	0.306	16	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<4>,2|H<1>}	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Br<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7460	1.051	4	111.0415	0.375	16	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<5>,2|H<1>}	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|O<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.2620	0.461	8	111.0415	0.375	16	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.8960	0.057	4	111.0415	0.375	16	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<7>,2|H<1>}	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2{1|Nb<7>,2|Cl<1>,1|O<3>,2|S<2>,4|H<1>}	H(C[5]C[5]2H)	110.1570	1.336	8	110.1570	1.784	8	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<5>,2|H<1>}	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<3>,2|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.7875	0.367	6	110.7875	0.135	6	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<6>,2|H<1>}	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2{1|O<3>,4|H<1>,4|N<3>}	H(C[5]C[5]2H)	111.2127	0.042	3	111.2127	0.002	3	110.8678	0.396	100	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](S[5]B[3x3,4,5x5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<6>,2|H<1>}	C[5](S[5]B[3x3,4,5x5,6]C[5])(C[5]C[5]HH)(H)2{1|Mn<8>,1|C<5>,3|B<6>,4|H<1>}	H(C[5]C[5]2H)	110.5121	0.064	8	110.5121	0.004	8	110.5121	0.004	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	Se[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Se[5,5]HH)2(H)2	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Se[5,5]HH)2(H)2{2|C<4>}	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.0090	0.028	6	109.0090	0.001	6	109.0090	0.001	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2	H(C[5]C[5]2I)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2I)	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	B[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2	C[5](B[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2{1|I<1>,2|C<3>}	C[5](B[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|I<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	109.9800	0.023	2	109.9800	0.001	2	109.9800	0.001	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.5940	0.058	2	110.4495	0.029	4	110.4495	0.029	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.3050	0.018	2	110.4495	0.029	4	110.4495	0.029	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|B<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4830	0.037	2	110.4830	0.001	2	110.4830	0.001	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5]S[5]H)	110.4250	0.014	2	110.4250	0.000	2	110.3525	0.026	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5]C[5]S[5]H)	110.3344	0.178	8	110.3344	0.032	8	110.3525	0.026	10	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>}	H(C[5]C[5]S[5]H)	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[4,5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[4,5,5]Ge[4,5,5]2C[5])(C[5]N[5]HH)(H)2	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2	H(C[5]N[4,5,5]C[5]H)	C[5](N[4,5,5]Ge[4,5,5]2C[5])(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|N<4>,2|H<1>,3|N<3>}	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2{1|Cl<1>,1|Ge<5>,1|C<4>,1|N<3>,1|N<4>}	H(C[5]N[4,5,5]C[5]H)	110.2262	0.195	4	110.2262	0.038	4	110.2262	0.038	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	110.1060	0.021	2	110.1060	0.000	2	110.1060	0.000	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|C<4>,2|O<2>}	H(C[5]N[5,5]C[5]H)	109.4435	0.040	2	109.4435	0.002	2	109.6860	0.044	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	109.8072	0.121	4	109.8072	0.015	4	109.6860	0.044	6	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	112.9015	3.893	2	112.9015	15.153	2	112.9015	15.153	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.8905	0.005	2	110.8905	0.000	2	110.9382	0.003	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.9860	0.020	2	110.9860	0.000	2	110.9382	0.003	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.7405	0.044	6	110.7405	0.002	6	110.7051	0.112	18	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2{2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	110.6873	0.414	12	110.6873	0.171	12	110.7051	0.112	18	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.6260	0.000	1	110.6260	0.000	1	109.7446	0.243	5	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	109.5375	0.005	2	109.5242	0.000	4	109.7446	0.243	5	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Ga<4>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	109.5110	0.004	2	109.5242	0.000	4	109.7446	0.243	5	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	110.3600	0.074	3	110.3600	0.005	3	110.2041	0.048	7	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.8945	0.028	2	109.8945	0.001	2	110.2041	0.048	7	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Re<5>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.2800	0.031	2	110.2800	0.001	2	110.2041	0.048	7	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]Zn2)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]Zn2)(C[5]N[5,5]HH)(H)2{1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{2|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9625	0.057	4	110.9625	0.003	4	110.9625	0.003	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CdC)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CdC)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.7265	0.064	2	110.7265	0.004	2	110.6573	0.008	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	110.5880	0.017	2	110.5880	0.000	2	110.6573	0.008	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	O[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2{1|Ga<5>,2|Cl<1>,1|O<3>}	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2{4|Cl<1>,1|N<4>,1|O<3>,2|C<4>}	H(C[5]C[5]N[5]H)	109.9170	0.018	2	109.9170	0.000	2	109.9170	0.000	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<4>}	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<4>}	H(C[5]C[5]N[5]H)	109.8330	0.038	2	109.8330	0.001	2	109.8330	0.001	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]P[5]H)	110.8675	0.923	6	110.8675	0.852	6	110.8880	0.610	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|S<1>,3|C<3>}	H(C[5]C[5]P[5]H)	110.9495	0.022	2	110.9495	0.000	2	110.8880	0.610	8	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|Fe<5>,1|P<3>,3|C<3>}	H(C[5]C[5]P[5]H)	109.3185	0.015	2	109.3185	0.000	2	109.3185	0.000	2	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]Si[5]C[5]H)	110.7417	0.018	4	110.7417	0.000	4	110.7417	0.000	4	110.6221	0.867	3195	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7415	0.018	2	110.7415	0.000	2	110.7415	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6]C[5]H)	109.8560	0.014	2	109.8560	0.000	2	109.8560	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H){1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.0645	0.011	2	110.0645	0.000	2	110.0645	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2{1|O<1>,2|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.2610	0.006	2	111.2610	0.000	2	111.2610	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2Br)	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2Br)	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2F)	112.2410	0.000	1	111.4096	3.884	5	110.9722	4.255	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	H(C[5]C[5]2F)	113.6690	0.000	1	111.4096	3.884	5	110.9722	4.255	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2F)	112.4250	0.000	1	111.4096	3.884	5	110.9722	4.255	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2F)	109.3565	0.527	2	111.4096	3.884	5	110.9722	4.255	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2F)	108.7850	0.000	1	108.7850	0.000	1	110.9722	4.255	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2F)	112.3950	0.000	1	112.3950	0.000	1	111.6652	0.971	11	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2F)	112.3670	0.000	1	112.3670	0.000	1	111.6652	0.971	11	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2F)	111.4360	0.000	1	111.8130	0.239	8	111.6652	0.971	11	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2F)	112.2170	0.146	4	111.8130	0.239	8	111.6652	0.971	11	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5]2F)	111.0960	0.000	1	111.8130	0.239	8	111.6652	0.971	11	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2F)	111.5520	0.409	2	111.8130	0.239	8	111.6652	0.971	11	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2F)	109.0510	0.000	1	109.0510	0.000	1	111.6652	0.971	11	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5920	0.072	2	110.5920	0.005	2	110.5920	0.005	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.8170	0.007	2	110.8170	0.000	2	110.1323	1.593	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3695	0.019	2	110.3695	0.000	2	110.1323	1.593	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.2105	2.283	2	109.2105	5.213	2	110.1323	1.593	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7370	0.004	2	110.7370	0.000	2	110.2735	1.531	46	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.3060	0.000	1	110.3060	0.000	1	110.2735	1.531	46	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4465	0.037	2	110.4465	0.001	2	110.2735	1.531	46	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5619	0.155	8	110.5619	0.024	8	110.2735	1.531	46	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2102	1.175	29	110.2102	1.381	29	110.2735	1.531	46	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	108.5790	4.583	2	108.5790	21.008	2	110.2735	1.531	46	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0800	0.847	2	111.0800	0.718	2	110.2735	1.531	46	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9920	0.028	3	110.9920	0.001	3	110.7648	0.098	5	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4240	0.041	2	110.4240	0.002	2	110.7648	0.098	5	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.1865	0.022	2	111.1865	0.000	2	111.1865	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8845	0.032	2	110.8845	0.001	2	111.0438	0.062	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1235	0.280	4	111.1235	0.078	4	111.0438	0.062	6	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8220	0.021	2	110.8220	0.000	2	110.8220	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2{6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.9775	0.005	2	110.9775	0.000	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.0290	0.014	2	111.0290	0.000	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.3145	0.054	2	111.3145	0.003	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){2|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.0040	0.018	2	111.0040	0.000	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2{1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9115	0.070	2	110.9115	0.005	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0720	0.004	2	111.0720	0.000	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1675	0.036	2	111.1675	0.001	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9180	0.066	2	110.7775	1.025	11	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.1277	1.571	4	110.7775	1.025	11	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2410	0.095	5	110.7775	1.025	11	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2455	0.011	2	111.2455	0.000	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9360	0.150	2	110.9360	0.022	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.2865	0.033	2	111.2208	0.033	6	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9925	0.019	2	111.2208	0.033	6	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.3835	0.006	2	111.2208	0.033	6	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.3225	0.328	4	111.2715	0.071	6	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1695	0.016	2	111.2715	0.071	6	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2160	0.022	4	111.1320	1.308	24	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.1721	0.731	8	111.1320	1.308	24	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0263	0.299	4	111.1320	1.308	24	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1270	0.021	2	111.1320	1.308	24	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.0947	2.279	6	111.1320	1.308	24	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2{2|C<3>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2390	0.052	4	111.2390	0.003	4	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6893	0.094	4	110.6893	0.009	4	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0750	0.044	2	111.0750	0.002	2	111.0647	0.586	75	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<2>,2|C<4>,4|C<3>}	H(C[5]C[5]2H)	110.4620	0.000	1	110.2498	0.015	5	110.2173	0.013	7	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.1967	0.042	4	110.2498	0.015	5	110.2173	0.013	7	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.1360	0.017	2	110.1360	0.000	2	110.2173	0.013	7	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5710	0.027	2	110.5710	0.001	2	110.5710	0.001	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H){1|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1302	0.096	4	111.1302	0.009	4	111.1302	0.009	4	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6350	0.016	2	110.6350	0.000	2	110.6350	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1775	0.009	2	111.1775	0.000	2	111.3927	0.312	22	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.4873	0.634	16	111.4873	0.402	16	111.3927	0.312	22	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1220	0.031	4	111.1220	0.001	4	111.3927	0.312	22	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	H(C[5]C[5]2H)	111.0225	0.016	2	111.0225	0.000	2	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	111.1160	0.100	2	111.1160	0.010	2	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	111.5317	0.190	3	111.5317	0.036	3	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9647	0.054	3	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.5740	0.033	2	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	111.3092	0.218	16	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3051	0.721	30	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2H)	111.2508	0.984	12	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2H)	111.3615	0.295	21	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.4460	0.006	2	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	112.0160	3.789	2	111.3031	0.518	88	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0765	0.306	17	111.0973	0.087	19	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2735	0.005	2	111.0973	0.087	19	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.9165	0.030	2	110.7650	0.021	6	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.6893	0.106	4	110.7650	0.021	6	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9896	0.327	8	111.0487	0.099	10	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2850	0.018	2	111.0487	0.099	10	111.2267	0.392	130	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2{2|C<3>,2|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8312	0.017	4	110.8312	0.000	4	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2{2|C<3>,2|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.7032	0.058	4	110.7032	0.003	4	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5]2H)	111.3059	0.170	10	111.3059	0.029	10	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	111.9550	1.972	4	111.6331	2.107	7	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.2040	0.082	3	111.6331	2.107	7	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8960	0.023	2	110.8960	0.001	2	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.3355	0.026	2	111.2252	0.023	6	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1700	0.158	4	111.2252	0.023	6	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5190	0.279	2	111.1814	0.662	109	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1935	0.215	29	111.1814	0.662	109	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2219	1.008	68	111.1814	0.662	109	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8017	0.085	4	111.1814	0.662	109	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	111.4000	0.017	2	111.1814	0.662	109	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0065	0.252	4	111.1814	0.662	109	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8460	0.013	2	111.0747	0.148	6	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1890	0.441	4	111.0747	0.148	6	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5]C[5]2H)	110.8273	0.185	3	110.8273	0.034	3	111.1753	0.593	151	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3045	1.001	2	110.3045	1.001	2	110.3045	1.001	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.0895	0.023	2	110.0895	0.001	2	110.0895	0.001	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2O)	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	H(C[5]Si[5]C[5]H)	110.5965	0.015	2	110.5965	0.000	2	110.5965	0.000	2	111.0262	0.777	498	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC)	H(C[5]C[5]2F)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	H(C[5]C[5]2F)	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	110.7820	1.825	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.2475	0.018	2	111.2475	0.000	2	111.2475	0.000	2	110.7820	1.825	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2{2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0272	0.006	4	111.0272	0.000	4	111.0272	0.000	4	110.7820	1.825	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC)	H(C[5]C[5]2I)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC){2|C<3>,6|H<1>}	H(C[5]C[5]2I)	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	110.7820	1.825	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9245	0.018	2	110.9245	0.000	2	110.9245	0.000	2	110.9245	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3)	H(C[5]C[5]2F)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2F)	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6895	0.022	2	110.6895	0.000	2	110.6895	0.000	2	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2405	0.013	2	111.2405	0.000	2	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0232	0.062	4	111.0232	0.004	4	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6715	0.026	2	110.6715	0.001	2	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0945	0.023	2	111.0945	0.001	2	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.5060	0.011	2	111.5060	0.000	2	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.2660	0.033	2	111.2660	0.001	2	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8315	0.018	2	110.8315	0.000	2	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7505	0.018	2	110.7505	0.000	2	111.0452	0.068	18	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]N[5]O[5]C)(C[5]N[5]CC)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]C)(C[5]N[5]CC)(H)2{3|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.7720	0.008	2	110.7720	0.000	2	110.7720	0.000	2	111.0189	0.090	23	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5]-4:	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2{1|H<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	H(C[5]C[3,5]C[5]H)	110.7710	0.035	2	110.7710	0.001	2	110.7710	0.001	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H){1|C<4>,3|C<3>}	H(C[5]C[4,5]C[5]H)	111.2295	0.035	2	111.2295	0.001	2	111.2295	0.001	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.0950	0.000	1	110.0950	0.000	1	110.5507	0.156	3	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	H(C[5]C[4,5]C[5]H)	110.7785	0.028	2	110.7785	0.001	2	110.5507	0.156	3	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.3055	0.075	6	110.3055	0.006	6	110.3055	0.006	6	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.6830	0.000	1	110.6830	0.000	1	110.9373	0.049	3	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H){1|C<4>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.0645	0.023	2	111.0645	0.001	2	110.9373	0.049	3	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.1645	0.042	2	111.1645	0.002	2	111.0703	0.006	6	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	111.0025	0.005	2	111.0025	0.000	2	111.0703	0.006	6	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2{4|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H){1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0440	0.028	2	111.0440	0.001	2	111.0703	0.006	6	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|N<3>,1|O<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	H(C[5]C[5,5]C[5]H)	111.0680	0.007	2	111.0680	0.000	2	110.7987	0.080	6	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2{6|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8775	0.036	2	110.8775	0.001	2	110.7987	0.080	6	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2{3|C<4>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4505	0.029	2	110.4505	0.001	2	110.7987	0.080	6	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	113.5510	0.006	2	113.5510	0.000	2	113.5510	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.3475	0.095	2	110.3475	0.009	2	110.5402	0.042	5	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8220	0.000	1	110.8220	0.000	1	110.5402	0.042	5	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2{2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.5920	0.016	2	110.5920	0.000	2	110.5402	0.042	5	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:F-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F){1|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7378	0.039	4	110.7378	0.002	4	110.7378	0.002	4	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H){1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7225	0.015	2	110.7225	0.000	2	110.7225	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:N[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2775	0.033	2	111.2775	0.001	2	111.2775	0.001	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1095	0.037	4	111.1095	0.001	4	111.0540	0.007	22	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0343	0.090	16	111.0343	0.008	16	111.0540	0.007	22	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1015	0.008	2	111.1015	0.000	2	111.0540	0.007	22	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0627	0.184	23	111.0770	0.027	30	111.0770	0.027	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1380	0.026	4	111.0770	0.027	30	111.0770	0.027	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1050	0.037	3	111.0770	0.027	30	111.0770	0.027	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H){1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0125	0.013	2	111.0125	0.000	2	111.0125	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2Br)	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2F)	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5]-3:C[5]-4:B-3:H-1:	C[5]-4:	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2	C[5](B[5]C[6a]C[5])(C[5]C[5]HH)(BC[6a]2)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[5]HH)(BC[6a]2)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3610	0.017	2	110.3610	0.000	2	110.3610	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H){1|C<3>,1|S<2>,3|H<1>}	H(C[5]C[5]2H)	110.2245	0.009	2	110.2245	0.000	2	110.2245	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(COS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(COS)(H){2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.7258	0.114	4	110.7258	0.013	4	110.7258	0.013	4	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:P-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H){2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2{2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7535	0.012	2	110.7535	0.000	2	110.7535	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7170	0.018	2	110.7170	0.000	2	109.8195	5.318	4	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	108.9220	3.568	2	108.9220	12.731	2	109.8195	5.318	4	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H){4|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.3480	0.621	2	109.3480	0.385	2	110.6495	2.207	15	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3257	2.171	6	111.3257	4.714	6	110.6495	2.207	15	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4770	0.000	1	110.4770	0.000	1	110.6495	2.207	15	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2742	0.254	4	110.4360	0.101	6	110.6495	2.207	15	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7595	0.019	2	110.4360	0.101	6	110.6495	2.207	15	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0300	0.011	2	111.0300	0.000	2	111.0300	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6220	0.011	2	110.6220	0.000	2	110.6220	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H){2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|Si<5>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2285	0.025	2	111.2285	0.001	2	111.2285	0.001	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4375	0.202	8	110.4375	0.041	8	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.4130	0.042	2	110.4130	0.002	2	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9870	0.046	4	110.9870	0.002	4	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	111.2420	0.031	2	111.2420	0.001	2	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5295	0.010	4	110.5295	0.000	4	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	111.3328	0.063	6	111.3328	0.004	6	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2575	0.009	2	111.2575	0.000	2	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1792	0.048	4	111.1792	0.002	4	110.8783	0.161	32	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.5768	0.269	4	110.5768	0.072	4	110.5192	2.017	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9979	2.290	8	110.9979	5.243	8	110.5192	2.017	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	H(C[5]C[5]2H)	110.7750	0.040	2	110.6365	0.026	4	110.5192	2.017	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4980	0.013	2	110.6365	0.026	4	110.5192	2.017	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	109.6155	1.345	4	109.6155	1.810	4	110.5192	2.017	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	H(C[5]C[5]2H)	109.4970	1.290	4	109.4970	1.664	4	110.5192	2.017	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0482	0.081	6	111.0482	0.007	6	110.5192	2.017	30	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.5768	0.026	5	110.4809	0.027	7	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2410	0.014	2	110.4809	0.027	7	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2{1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[5]2H)	110.5490	0.007	2	110.5490	0.000	2	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6505	0.025	2	110.6505	0.001	2	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0965	0.025	2	111.0223	0.017	3	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.8740	0.000	1	111.0223	0.017	3	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3580	0.049	2	110.3580	0.002	2	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0150	0.061	4	111.0150	0.004	4	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0410	0.004	2	111.0410	0.000	2	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.3160	1.338	2	111.3160	1.790	2	110.7634	0.184	24	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4570	2.001	6	110.4570	4.002	6	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0558	0.163	6	111.0558	0.027	6	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4480	0.008	2	110.4480	0.000	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.1983	0.380	4	110.8118	0.070	21	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7748	0.113	11	110.8118	0.070	21	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6165	0.019	2	110.8118	0.070	21	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5635	0.026	2	110.8118	0.070	21	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6855	0.009	2	110.8118	0.070	21	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.8070	0.029	4	110.8070	0.001	4	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7730	0.030	2	110.7730	0.001	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.8675	0.011	2	110.8675	0.000	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.9353	0.066	7	110.9116	0.009	14	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8879	0.122	7	110.9116	0.009	14	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.2750	0.008	2	110.2750	0.000	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<2>,2|C<3>,2|F<1>,3|H<1>}	H(C[5]C[5]2H)	111.3403	0.016	3	111.3403	0.000	3	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4455	0.045	4	110.4455	0.002	4	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0690	0.000	1	111.0690	0.000	1	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7205	0.077	2	110.7205	0.006	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.1240	0.155	4	111.1240	0.024	4	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.5353	0.019	4	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7680	0.034	2	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6180	0.211	3	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9585	0.052	4	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.4800	0.014	2	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7920	0.021	2	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3466	1.077	15	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8770	0.007	2	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.1822	0.045	5	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.0887	0.106	6	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0160	0.000	1	110.7026	0.467	46	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7477	0.032	4	110.7205	0.003	6	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	H(C[5]C[5]2H)	110.6660	0.037	2	110.7205	0.003	6	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7940	0.020	2	110.7940	0.000	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9512	0.245	16	110.9512	0.060	16	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4985	0.012	2	110.4985	0.000	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5765	0.047	2	110.5765	0.002	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9495	0.018	2	111.0045	0.007	11	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.0068	0.117	5	111.0045	0.007	11	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0775	0.006	2	111.0045	0.007	11	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.9805	0.016	2	111.0045	0.007	11	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|I<1>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.8580	0.079	2	110.8580	0.006	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6800	0.028	2	110.6800	0.001	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0165	0.016	2	111.0165	0.000	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8050	0.000	1	110.8050	0.000	1	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0990	0.028	2	111.0990	0.001	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.5155	0.042	2	110.5155	0.002	2	110.8014	0.296	169	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3891	0.173	7	110.3891	0.030	7	110.3527	0.037	15	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3209	0.214	8	110.3209	0.046	8	110.3527	0.037	15	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<4>}	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H){5|C<4>}	H(C[5]C[5]2H)	110.7205	0.076	4	110.7205	0.006	4	110.7977	0.213	17	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7365	1.572	2	110.7365	2.471	2	110.7977	0.213	17	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7690	0.000	1	110.7690	0.000	1	110.7977	0.213	17	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8460	0.017	2	110.8460	0.000	2	110.7977	0.213	17	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8431	0.352	8	110.8431	0.124	8	110.7977	0.213	17	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]2H)	110.6905	0.005	2	110.6905	0.000	2	110.6905	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.5933	0.019	3	110.5032	0.015	5	110.5032	0.015	5	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	H(C[5]C[5]2H)	110.3680	0.016	2	110.5032	0.015	5	110.5032	0.015	5	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<2>,2|O<1>}	H(C[5]C[5]2H)	110.8600	0.014	2	110.8600	0.000	2	110.9566	0.024	21	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0585	0.028	2	111.0585	0.001	2	110.9566	0.024	21	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9348	0.184	13	110.9456	0.030	15	110.9566	0.024	21	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	111.0155	0.033	2	110.9456	0.030	15	110.9566	0.024	21	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0335	0.006	2	111.0335	0.000	2	110.9566	0.024	21	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2{1|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,2|O<1>,7|C<3>}	H(C[5]C[5]2H)	109.8720	0.460	2	109.8720	0.211	2	109.8720	0.211	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8967	0.084	7	110.9959	0.024	11	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1695	0.060	4	110.9959	0.024	11	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{3|C<4>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8730	0.016	2	110.8730	0.000	2	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.8405	0.015	2	111.1471	0.132	12	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.2084	0.369	10	111.1471	0.132	12	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0120	0.023	2	108.9510	6.189	4	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	106.8900	1.256	2	108.9510	6.189	4	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7253	0.014	4	110.7253	0.000	4	110.7628	1.119	33	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.5450	0.013	2	110.5450	0.000	2	110.7596	0.238	9	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5690	0.000	1	110.5690	0.000	1	110.7596	0.238	9	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.8060	0.248	4	110.8060	0.062	4	110.7596	0.238	9	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.9765	1.220	2	110.9765	1.488	2	110.7596	0.238	9	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|N<2>}	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:S[5]-3:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7370	0.008	2	110.7370	0.000	2	110.7370	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H)	H(C[5]C[5]2I)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2I)	106.2160	0.000	1	106.2160	0.000	1	106.2160	0.000	1	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(P[5]N[5]CW)(H)2	C[5](C[5]N[5]N[6])(C[5]P[5]HH)(COO)(H)	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]CH)(P[5]N[5]CW)(H)2{1|N<3>}	C[5](C[5]N[5]N[6])(C[5]P[5]HH)(COO)(H){1|W<6>,3|C<4>}	H(C[5]C[5]P[5]H)	110.7360	0.027	2	110.7360	0.001	2	110.7360	0.001	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6]OO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,2|C<4>,3|O<1>}	H(C[5]C[5]S[5]H)	111.2055	0.005	2	111.2055	0.000	2	111.2055	0.000	2	110.7809	0.530	505	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	110.1880	0.025	2	110.1880	0.001	2	110.1880	0.001	2	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2{1|C<3>,3|N<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4885	0.029	2	110.4885	0.001	2	110.4885	0.001	2	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH){1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.6035	0.022	2	110.6035	0.000	2	110.6035	0.000	2	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:S-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(COO)(SC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(COO)(SC){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8643	0.044	3	110.8643	0.002	3	110.8643	0.002	3	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	108.5165	1.115	2	108.5165	1.243	2	108.5165	1.243	2	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6850	0.033	2	110.6850	0.001	2	110.4615	0.031	8	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3490	0.148	4	110.3490	0.022	4	110.4615	0.031	8	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4630	0.016	2	110.4630	0.000	2	110.4615	0.031	8	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN){1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4440	3.018	2	110.4440	9.108	2	110.4440	9.108	2	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.2785	0.022	2	110.2785	0.000	2	110.2785	0.000	2	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2380	0.006	2	111.3260	0.009	6	111.3260	0.009	6	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){1|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.3700	0.085	4	111.3260	0.009	6	111.3260	0.009	6	110.5269	0.832	29	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.1100	0.017	2	110.1100	0.000	2	110.1100	0.000	2	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.2750	0.040	2	110.2750	0.002	2	110.2750	0.002	2	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.8305	0.025	4	110.8305	0.001	4	110.8305	0.001	4	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2950	0.000	1	110.2950	0.000	1	110.8566	0.057	17	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8942	0.124	8	110.8942	0.015	8	110.8566	0.057	17	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8344	0.312	5	110.8344	0.098	5	110.8566	0.057	17	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8350	0.000	1	110.8350	0.000	1	110.8566	0.057	17	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0530	0.010	2	111.0530	0.000	2	110.8566	0.057	17	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3915	0.021	2	110.3915	0.000	2	110.3915	0.000	2	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.2770	0.337	2	110.5817	1.363	9	110.5817	1.363	9	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.3830	1.262	7	110.5817	1.363	9	110.5817	1.363	9	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2{4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9565	0.012	2	110.9565	0.000	2	110.9565	0.000	2	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCO)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCO)(CNO){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.0808	0.064	5	111.0808	0.004	5	111.0808	0.004	5	110.7446	0.336	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4955	0.023	2	110.4955	0.001	2	110.4955	0.001	2	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2{1|S<2>,2|O<1>,5|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	H(C[5]C[5]2H)	109.7515	0.025	2	109.7515	0.001	2	110.3453	0.265	16	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.8940	0.044	4	109.8850	0.002	6	110.3453	0.265	16	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.8670	0.030	2	109.8850	0.002	6	110.3453	0.265	16	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8120	0.047	2	110.8120	0.002	2	110.3453	0.265	16	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7963	0.029	4	110.8478	0.007	6	110.3453	0.265	16	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9510	0.011	2	110.8478	0.007	6	110.3453	0.265	16	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.7540	0.075	4	110.7540	0.006	4	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8500	0.006	2	110.8500	0.000	2	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.0220	0.000	1	111.0220	0.000	1	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.6360	0.010	2	110.6360	0.000	2	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.7675	0.012	2	110.7675	0.000	2	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.9590	0.014	2	110.9590	0.000	2	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|B<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4780	0.086	2	110.4780	0.007	2	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2835	0.030	2	111.2835	0.001	2	110.8227	0.054	17	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5535	0.015	2	110.5535	0.000	2	110.6683	0.119	26	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2533	0.061	3	110.2533	0.004	3	110.6683	0.119	26	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8278	0.051	6	110.8278	0.003	6	110.6683	0.119	26	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.9430	0.253	2	109.9430	0.064	2	110.6683	0.119	26	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9526	0.181	9	110.9526	0.033	9	110.6683	0.119	26	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.3885	0.037	2	110.3885	0.001	2	110.6683	0.119	26	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.6530	0.004	2	110.6530	0.000	2	110.6683	0.119	26	110.6209	0.164	61	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{2|C<4>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H){2|H<1>,5|C<3>}	H(C[5]B[5]C[5]H)	109.4800	0.013	2	109.4800	0.000	2	109.4800	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.1860	0.054	2	111.1860	0.003	2	110.7852	0.169	6	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H){2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8835	0.021	2	110.8835	0.000	2	110.7852	0.169	6	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|I<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.2860	0.016	2	110.2860	0.000	2	110.7852	0.169	6	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.4865	0.019	2	110.4865	0.000	2	110.4865	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2{2|H<1>,2|O<2>,4|C<3>}	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2270	0.055	2	111.2270	0.003	2	111.2270	0.003	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H){2|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.2445	0.032	2	110.2445	0.001	2	110.2445	0.001	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2{1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.2657	0.011	3	110.2657	0.000	3	110.2657	0.000	3	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.8325	0.052	2	109.8325	0.003	2	109.8325	0.003	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	112.5160	2.171	2	112.5160	4.712	2	111.7830	2.287	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0500	0.018	2	111.0500	0.000	2	111.7830	2.287	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2Br)	110.4483	1.225	3	110.4483	1.500	3	110.4735	1.002	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2Br)	110.5490	0.000	1	110.5490	0.000	1	110.4735	1.002	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2F)	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4850	0.035	2	110.4850	0.001	2	110.4850	0.001	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2270	0.058	2	110.2270	0.003	2	110.2265	0.001	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2260	0.010	2	110.2260	0.000	2	110.2265	0.001	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4400	0.014	2	110.4400	0.000	2	110.4464	0.027	8	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2095	0.057	2	110.4188	0.060	4	110.4464	0.027	8	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6280	0.030	2	110.4188	0.060	4	110.4464	0.027	8	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5080	0.017	2	110.5080	0.000	2	110.4464	0.027	8	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.6490	0.027	2	110.6490	0.001	2	110.6490	0.001	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5940	0.065	2	110.5940	0.004	2	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0750	0.011	2	110.0750	0.000	2	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6170	0.038	2	110.6170	0.001	2	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4875	0.035	2	110.4875	0.001	2	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2370	0.027	4	110.2370	0.001	4	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)2(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.2030	0.000	1	110.2030	0.000	1	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.1955	0.011	2	110.1955	0.000	2	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2710	0.021	2	110.2710	0.000	2	110.3312	0.037	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4880	0.377	7	110.4880	0.142	7	110.5580	0.126	9	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8030	0.040	2	110.8030	0.002	2	110.5580	0.126	9	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[4]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2{2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.4380	0.093	2	110.4380	0.009	2	110.4380	0.009	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9740	0.021	2	110.9740	0.000	2	110.9740	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7120	0.038	2	110.7120	0.001	2	110.8188	0.091	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4915	0.052	2	110.4915	0.003	2	110.8188	0.091	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6615	0.029	2	110.6615	0.001	2	110.8188	0.091	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2437	0.075	3	111.2437	0.006	3	110.8188	0.091	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0760	0.038	4	111.0760	0.001	4	110.8188	0.091	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4550	0.007	2	110.4550	0.000	2	110.8188	0.091	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6220	0.016	2	110.6220	0.000	2	110.8188	0.091	17	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.8670	0.008	2	110.8670	0.000	2	110.8670	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.5885	0.008	2	110.5885	0.000	2	110.7147	0.038	12	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.5565	0.008	2	110.7850	0.060	6	110.7147	0.038	12	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0895	0.029	2	110.7850	0.060	6	110.7147	0.038	12	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7090	0.007	2	110.7850	0.060	6	110.7147	0.038	12	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6722	0.130	4	110.6722	0.017	4	110.7147	0.038	12	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1955	0.012	2	111.1955	0.000	2	111.1955	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H){1|Pt<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0000	0.066	3	111.0000	0.004	3	111.0000	0.004	3	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4937	0.329	3	110.4937	0.108	3	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9560	0.008	2	110.7895	0.037	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.6230	0.020	2	110.7895	0.037	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9480	0.025	2	110.9480	0.001	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4995	0.182	6	110.4995	0.033	6	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0860	0.049	2	110.9472	0.027	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8085	0.047	2	110.9472	0.027	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0137	0.053	3	111.0137	0.003	3	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.3698	0.034	4	110.3698	0.001	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7320	0.239	4	110.7320	0.057	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6310	0.027	2	110.6310	0.001	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.6915	0.062	2	110.5533	1.225	10	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8805	0.738	2	110.5533	1.225	10	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0632	0.894	4	110.5533	1.225	10	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	109.0680	1.541	2	110.5533	1.225	10	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3183	0.056	3	110.5867	0.166	9	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3980	0.491	2	110.5867	0.166	9	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.8822	0.383	4	110.5867	0.166	9	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7415	0.058	8	110.7415	0.003	8	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9093	0.186	4	110.8198	0.077	63	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.8088	0.231	28	110.8198	0.077	63	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7443	0.486	11	110.8198	0.077	63	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8590	0.194	20	110.8198	0.077	63	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|H<1>,3|O<2>,4|C<3>}	H(C[5]C[5]2H)	110.5058	0.304	6	110.9110	1.900	11	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5]2H)	111.5260	2.312	4	110.9110	1.900	11	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.8820	0.000	1	110.9110	1.900	11	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.1107	0.105	4	111.0994	0.009	5	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.0540	0.000	1	111.0994	0.009	5	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.7035	0.006	2	110.7035	0.000	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6775	0.042	2	110.6775	0.002	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2810	0.008	2	111.2810	0.000	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.3755	4.735	2	111.3755	22.425	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0010	0.246	16	111.0010	0.061	16	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6525	0.015	2	110.6525	0.000	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2150	0.004	2	111.1180	0.028	3	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9240	0.000	1	111.1180	0.028	3	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7495	0.042	2	110.7495	0.002	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2280	0.011	2	111.2280	0.000	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8260	0.035	2	110.8260	0.001	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0745	0.012	2	111.0745	0.000	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.9035	0.059	2	109.9035	0.003	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|F<1>,2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.2785	0.021	2	110.2785	0.000	2	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.4155	0.147	4	110.4155	0.022	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	109.5250	0.201	4	109.5250	0.040	4	110.7624	0.407	187	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	H(C[5]C[5]2H)	111.0065	0.159	4	111.0065	0.025	4	111.0216	0.019	10	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.0445	0.299	2	111.0420	0.030	4	111.0216	0.019	10	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0395	0.028	2	111.0420	0.030	4	111.0216	0.019	10	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0110	0.037	2	111.0110	0.001	2	111.0216	0.019	10	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3190	0.223	7	110.3190	0.050	7	110.3151	0.030	11	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3083	0.044	4	110.3083	0.002	4	110.3151	0.030	11	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.5415	0.006	2	110.5415	0.000	2	110.5415	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|F<1>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.0283	0.138	3	110.0283	0.019	3	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3190	0.020	2	111.3190	0.000	2	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.0325	0.023	2	110.0325	0.001	2	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4005	0.103	2	110.8321	0.142	7	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2087	0.064	3	110.8321	0.142	7	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6990	0.017	2	110.8321	0.142	7	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H){1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.1700	0.006	2	110.1700	0.000	2	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8462	0.047	4	110.8462	0.002	4	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.1905	0.015	2	110.1905	0.000	2	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H){1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	109.9490	0.023	3	109.9490	0.001	3	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5875	0.033	2	110.5875	0.001	2	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]CC)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.6260	0.006	2	110.6260	0.000	2	110.5170	0.213	29	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3755	0.070	2	110.3755	0.005	2	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6330	0.011	2	110.6330	0.000	2	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.8000	0.004	2	110.8000	0.000	2	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5790	0.115	2	110.5790	0.013	2	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.7375	1.073	2	110.3688	0.916	4	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0000	0.058	2	110.3688	0.916	4	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1080	0.038	2	111.1080	0.001	2	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5420	0.018	2	110.5420	0.000	2	110.5969	0.246	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7215	0.015	2	110.7215	0.000	2	110.7215	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9170	0.020	2	110.9170	0.000	2	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6315	0.049	2	110.6315	0.002	2	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7787	0.081	3	110.7540	0.005	5	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.7170	0.041	2	110.7540	0.005	5	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3061	0.376	20	110.3061	0.141	20	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.0270	0.492	3	110.0270	0.242	3	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3333	0.611	3	110.7034	0.273	7	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9810	0.240	4	110.7034	0.273	7	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7505	0.070	2	110.9882	0.025	9	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0561	0.091	7	110.9882	0.025	9	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9013	0.055	3	110.9013	0.003	3	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	111.1970	0.031	2	111.1970	0.001	2	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7280	0.021	2	110.7280	0.000	2	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6963	0.253	12	110.6963	0.064	12	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1953	0.074	3	110.9814	0.089	5	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6605	0.019	2	110.9814	0.089	5	110.6487	0.172	72	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.2447	0.277	4	111.2447	0.077	4	110.8956	0.119	12	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|C<3>,4|H<1>}	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H){1|O<3>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.7210	0.222	8	110.7210	0.049	8	110.8956	0.119	12	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	111.0335	0.023	2	111.0335	0.001	2	111.0335	0.001	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|N<2>,5|H<1>}	H(C[5]C[5]2H)	110.5775	0.018	2	110.5775	0.000	2	110.5775	0.000	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7300	0.020	3	110.7300	0.000	3	110.7300	0.000	3	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,4|H<1>}	H(C[5]C[5]2H)	111.1040	0.382	4	111.1040	0.146	4	111.0831	0.148	21	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4360	0.007	2	110.4360	0.000	2	111.0831	0.148	21	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.4355	0.018	2	111.4355	0.000	2	111.0831	0.148	21	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.9895	1.108	2	110.9895	1.228	2	111.0831	0.148	21	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<3>,2|N<2>,3|H<1>}	H(C[5]C[5]2H)	111.0362	0.137	4	111.0362	0.019	4	111.0831	0.148	21	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2090	0.054	7	111.2090	0.003	7	111.0831	0.148	21	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.4090	0.175	2	109.4090	0.031	2	109.4090	0.031	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.6260	0.042	2	110.6260	0.002	2	110.9500	2.343	6	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	111.1120	1.949	4	111.1120	3.799	4	110.9500	2.343	6	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1047	0.123	4	110.1047	0.015	4	110.2628	3.289	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3155	2.114	12	110.3155	4.469	12	110.2628	3.289	16	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.3603	0.417	4	111.3603	0.174	4	111.3603	0.174	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5]N[5]H)	112.4990	2.106	2	112.4990	4.434	2	112.4990	4.434	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]S[5]H)	111.0235	0.025	4	111.0235	0.001	4	111.0235	0.001	4	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2{4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	110.3830	0.071	2	110.3830	0.005	2	110.3830	0.005	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H){1|Rh<3>,1|H<1>,3|C<3>}	H(C[5]Si[5]C[5]H)	110.4510	0.102	2	110.4510	0.010	2	110.4510	0.010	2	110.7068	0.474	521	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3437	0.359	22	110.3437	0.129	22	110.3437	0.129	22	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4390	0.128	3	110.4390	0.016	3	110.2097	2.193	8	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.4075	3.679	2	109.4075	13.536	2	110.2097	2.193	8	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3160	0.000	1	110.3160	0.000	1	110.2097	2.193	8	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6150	0.006	2	110.6150	0.000	2	110.2097	2.193	8	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.2100	0.018	2	110.5888	0.087	6	110.5888	0.087	6	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7782	0.044	4	110.5888	0.087	6	110.5888	0.087	6	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8180	0.165	3	110.8180	0.027	3	111.0930	0.070	9	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.2910	0.027	2	111.2910	0.001	2	111.0930	0.070	9	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.3925	0.032	2	111.3925	0.001	2	111.0930	0.070	9	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0080	0.038	2	111.0080	0.001	2	111.0930	0.070	9	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9035	0.018	2	110.9035	0.000	2	110.6909	0.106	10	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5317	0.407	3	110.5317	0.166	3	110.6909	0.106	10	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.3330	0.011	2	110.3330	0.000	2	110.6909	0.106	10	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.9470	0.031	3	110.9470	0.001	3	110.6909	0.106	10	110.5367	0.458	55	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,7|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[3,5]C[5]H)	110.8775	2.440	2	110.8775	5.955	2	110.8775	5.955	2	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4965	0.008	2	110.4965	0.000	2	110.1485	0.162	4	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|S<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	109.8005	0.045	2	109.8005	0.002	2	110.1485	0.162	4	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.5905	0.051	4	110.5905	0.003	4	110.5905	0.003	4	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO){1|N<3>,4|C<3>}	H(C[5]C[5]2H)	110.2740	0.069	2	110.2740	0.005	2	110.2740	0.005	2	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH){1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.8982	0.334	11	110.8982	0.111	11	110.8982	0.111	11	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:O-3:	C[5]-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(ORu2)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(ORu2){2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7130	0.266	8	110.7130	0.071	8	110.7130	0.071	8	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.5275	0.018	2	110.5275	0.000	2	110.5275	0.000	2	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:N[5]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.3440	1.987	2	111.3440	3.948	2	110.4304	7.016	16	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2{4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	109.2460	6.217	2	109.2460	38.650	2	110.4304	7.016	16	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8630	0.333	3	109.8926	13.753	5	110.4304	7.016	16	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	108.4370	6.908	2	109.8926	13.753	5	110.4304	7.016	16	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8919	0.193	7	110.8919	0.037	7	110.4304	7.016	16	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7860	0.070	6	110.7860	0.005	6	110.7860	0.005	6	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6190	0.024	2	110.6190	0.001	2	110.7327	0.018	4	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	C[5](N[5]C[5]O[5])(C[5]C[5]HH)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<4>}	C[5](N[5]C[5]O[5])(C[5]C[5]HH)(CCHH)(COO){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.8465	0.025	2	110.8465	0.001	2	110.7327	0.018	4	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(C[5]C[5]CC)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO){2|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8805	0.013	2	110.8805	0.000	2	110.8805	0.000	2	110.6186	1.914	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](B[5]C[5,5]Br2)(C[5]N[5,5]CC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,5]Br2)(C[5]N[5,5]CC)(H)2{1|C<3>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2{2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[5]B[5]C[5]H)	110.7828	0.119	6	110.7828	0.014	6	110.4818	0.321	8	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](B[5]C[5,5]ClC)(C[5]N[5,5]CC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,5]ClC)(C[5]N[5,5]CC)(H)2{1|C<3>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2{1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]B[5]C[5]H)	109.5785	0.032	2	109.5785	0.001	2	110.4818	0.321	8	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	109.9910	0.050	4	110.0714	1.019	48	110.0547	0.942	52	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.0787	1.055	44	110.0714	1.019	48	110.0547	0.942	52	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	109.8542	0.020	4	109.8542	0.000	4	110.0547	0.942	52	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CC)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>,2|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5535	0.015	2	110.5535	0.000	2	110.5535	0.000	2	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2{1|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.2390	0.006	2	110.2390	0.000	2	110.2390	0.000	2	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1525	0.029	2	110.1525	0.001	2	110.1525	0.001	2	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|As<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|As<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2573	0.026	3	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.5890	0.021	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<6>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|B<6>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4270	0.030	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Be<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3675	0.015	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<3>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Be<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3810	0.000	1	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|C<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.6750	0.095	8	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.8320	0.020	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.0650	0.018	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<2>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|P<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2390	0.039	6	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|P<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	108.8085	0.064	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,3|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.0920	0.034	4	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|S<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1030	0.000	1	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3920	0.028	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1028	0.066	4	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ga<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2335	0.013	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ga<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.8930	0.000	1	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ge<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ge<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2680	0.031	4	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<3>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ni<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4935	0.016	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ni<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3945	0.016	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ni<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.0645	0.043	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2233	0.039	3	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4645	0.066	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2355	0.021	4	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1510	0.004	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.0935	0.077	10	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.2115	0.032	2	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	109.8967	0.045	4	110.0859	0.096	81	110.0859	0.096	81	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.6335	2.581	6	110.6335	6.659	6	110.6335	6.659	6	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.1680	0.049	4	110.1680	0.002	4	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2{2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	H(C[5]C[5]2H)	109.9698	0.096	4	109.9698	0.009	4	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.7348	0.043	5	109.7514	0.002	20	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|Cu<2>,1|Cu<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7488	0.018	4	109.7514	0.002	20	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{2|Cu<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7328	0.051	4	109.7514	0.002	20	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7807	0.026	4	109.7514	0.002	20	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|S<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7680	0.042	3	109.7514	0.002	20	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7877	0.027	10	109.7877	0.001	10	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.0725	0.039	2	110.0725	0.002	2	109.8400	0.022	40	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5510	0.174	3	110.5510	0.030	3	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2620	0.017	2	110.2620	0.000	2	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|P<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3945	0.050	2	110.3945	0.003	2	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Al<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9794	0.045	7	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9283	0.062	8	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9016	0.081	10	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<5>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7255	0.827	23	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Br<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7493	0.076	4	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9128	0.123	11	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.8815	0.135	10	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9141	0.295	136	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.8705	0.046	4	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.8863	0.169	4	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.8798	0.119	4	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7994	0.125	43	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.8387	0.036	3	109.8749	0.110	267	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.5892	0.740	6	109.8466	1.020	34	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.8059	0.074	19	109.8466	1.020	34	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9120	0.104	4	109.8466	1.020	34	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|S<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7780	0.025	3	109.8466	1.020	34	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.9785	5.270	2	109.8466	1.020	34	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.1653	0.084	4	110.1653	0.007	4	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.0645	0.052	2	110.1523	0.035	10	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.0790	0.122	6	110.1523	0.035	10	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4600	0.021	2	110.1523	0.035	10	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.6132	5.214	4	110.6132	27.189	4	109.9048	0.462	326	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.2635	0.015	2	110.2635	0.000	2	110.2635	0.000	2	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6665	0.035	2	110.6665	0.001	2	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2960	0.048	4	110.2960	0.002	4	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5765	0.015	2	110.5765	0.000	2	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,2|S<2>}	H(C[5]C[5]2H)	110.4890	0.013	2	110.3976	0.007	5	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3367	0.022	3	110.3976	0.007	5	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3290	0.035	2	110.3363	0.001	3	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3510	0.000	1	110.3363	0.001	3	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{1|Cr<9>,1|C<3>,4|C<4>}	H(C[5]C[5]2H)	110.2810	0.028	4	110.2956	0.002	5	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<5>,1|C<3>}	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{2|Li<7>,1|C<3>,2|C<4>,2|C<5>}	H(C[5]C[5]2H)	110.3540	0.000	1	110.2956	0.002	5	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<3>,2|C<4>}	H(C[5]C[5]2H)	110.1800	0.230	3	110.0664	0.051	5	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<4>,2|C<4>}	H(C[5]C[5]2H)	109.8960	0.028	2	110.0664	0.051	5	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|N<3>,4|C<4>}	H(C[5]C[5]2H)	110.1559	0.051	7	110.1738	0.004	16	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	H(C[5]C[5]2H)	110.1751	0.065	8	110.1738	0.004	16	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.2890	0.000	1	110.1738	0.004	16	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	109.9923	0.066	3	109.9923	0.004	3	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	109.9700	0.017	2	109.9700	0.000	2	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.0935	0.095	6	110.0935	0.009	6	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>}	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,4|C<4>}	H(C[5]C[5]2H)	110.4815	0.009	2	110.4815	0.000	2	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.3060	0.000	1	110.5721	0.012	9	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.6054	0.052	8	110.5721	0.012	9	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.1550	0.000	1	110.1550	0.000	1	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.3835	0.016	2	110.3835	0.000	2	110.2801	0.045	67	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5]2Mo)(C[5]C[5]HH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2{1|Mo<8>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]2Mo)(C[5]C[5]HH)2{2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.6518	0.263	4	110.6518	0.069	4	110.6518	0.069	4	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.2785	0.011	2	110.2785	0.000	2	110.4147	0.025	4	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2{2|H<1>,5|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5510	0.017	2	110.5510	0.000	2	110.4147	0.025	4	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6,6]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	113.8355	1.752	2	113.8355	3.068	2	113.8355	3.068	2	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.0875	0.028	2	111.0875	0.001	2	111.0875	0.001	2	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6085	0.008	2	110.6085	0.000	2	110.6085	0.000	2	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.3195	0.026	2	110.3195	0.001	2	110.2873	0.002	4	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3){2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.2550	0.010	2	110.2550	0.000	2	110.2873	0.002	4	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Ge<2>,2|Si<4>}	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	108.9789	1.189	7	108.9789	1.413	7	108.8578	0.878	11	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	108.6460	0.088	4	108.6460	0.008	4	108.8578	0.878	11	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CC)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CC)(H)2{1|B<3>,1|C<3>,1|C<4>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	109.9390	0.028	2	109.9390	0.001	2	110.6254	0.182	9	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2{1|H<1>,1|N<3>,1|O<2>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.9197	0.209	4	110.9197	0.044	4	110.6254	0.182	9	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(C[5]N[5,5]CH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.6290	0.054	2	110.6290	0.003	2	110.6254	0.182	9	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2{1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.8140	0.000	1	110.8140	0.000	1	110.6254	0.182	9	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2{2|C<3>}	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	109.9693	0.066	3	109.9693	0.004	3	109.9942	0.003	5	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2{1|Si<3>,1|C<3>,1|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0315	0.008	2	110.0315	0.000	2	109.9942	0.003	5	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CC)(C[5]N[5]CC)(H)2{1|B<3>,2|C<3>}	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.1280	0.030	2	110.1280	0.001	2	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]CC)(H)2{1|O<2>,2|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.2595	0.011	2	110.2595	0.000	2	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<5>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2{1|Li<6>,1|B<5>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.1530	0.033	2	110.1808	0.002	5	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2{2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.1993	0.044	3	110.1808	0.002	5	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<3>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<3>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9793	0.100	4	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2593	0.039	3	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<4>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1625	0.005	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4074	0.066	5	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|As<2>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|As<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3272	1.190	5	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<2>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2545	0.022	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1398	0.126	5	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3201	0.619	58	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1715	0.019	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2862	0.237	30	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<5>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<5>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3445	0.009	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Be<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2815	0.085	6	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Be<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Be<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3332	0.035	6	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|C<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9659	0.189	12	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.0780	0.000	1	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0597	0.097	3	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2493	0.019	3	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|P<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1930	0.004	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9865	0.246	8	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2740	0.113	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|P<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2801	0.127	7	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|P<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2570	0.056	8	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0976	0.063	8	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Co<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Co<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4880	0.038	3	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Co<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Co<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3730	0.000	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cr<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cr<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4070	0.021	3	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cr<6>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cr<6>,1|C<4>,3|C<3>}	H(C[5]C[5]2H)	109.9935	0.013	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cu<2>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cu<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1760	0.066	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cu<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cu<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1940	0.025	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3753	0.099	11	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1751	0.223	11	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<5>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<5>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3310	0.000	1	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2471	0.066	14	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2593	0.086	3	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ge<2>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ge<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3045	0.042	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ge<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ge<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2963	0.091	4	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.1730	0.000	1	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ir<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ir<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3280	0.000	1	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ir<6>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ir<6>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4495	0.035	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ni<5>,1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ni<5>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.1655	0.015	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ru<5>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ru<5>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1312	0.406	10	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Se<1>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Se<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9013	0.099	4	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1133	0.038	3	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2708	0.106	13	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1270	0.023	4	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2928	0.057	19	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Sn<3>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Sn<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2825	0.070	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ti<4>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ti<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2995	0.144	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ti<5>,1|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ti<5>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3375	0.035	2	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.0718	0.207	20	110.2323	0.117	329	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5375	0.036	2	110.5375	0.001	2	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.2380	0.033	2	110.2380	0.001	2	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|B<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.2925	0.030	2	110.2925	0.001	2	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]O[5]C)(C[5]N[5]CC)(H)2	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]C)(C[5]N[5]CC)(H)2{3|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.8160	0.020	2	110.8160	0.000	2	110.2366	0.114	346	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.5487	0.024	3	109.5487	0.001	3	109.5487	0.001	3	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<3>,2|Si<4>}	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.5813	0.109	3	109.6037	0.010	7	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<7>,2|Si<4>}	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.6205	0.106	4	109.6037	0.010	7	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Pd)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pd<3>,2|Si<4>}	C[5](Si[5]C[5]Pd)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.6792	0.047	4	109.6792	0.002	4	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<3>,2|Si<4>}	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.5877	0.086	3	109.5206	0.010	7	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<5>,2|Si<4>}	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.4702	0.082	4	109.5206	0.010	7	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Se<1>,2|Si<4>}	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.3825	0.477	4	109.3825	0.227	4	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.2752	0.057	4	109.3098	0.032	41	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<3>,2|Si<4>}	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.3135	0.186	37	109.3098	0.032	41	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Te)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Te<1>,2|Si<4>}	C[5](Si[5]C[5]Te)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.3735	0.203	4	109.3735	0.041	4	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<3>,2|Si<4>}	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.2182	0.119	4	109.2182	0.014	4	109.3829	0.048	71	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]P[5]H)	110.2815	0.354	6	110.3918	0.132	8	110.2711	0.119	12	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|H<1>,3|C<3>}	H(C[5]C[5]P[5]H)	110.7225	0.057	2	110.3918	0.132	8	110.2711	0.119	12	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5]C[5,6a]Mo2)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]Mo2)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{2|Mo<9>,1|H<1>,2|C<3>}	H(C[5]C[5]P[5]H)	110.1100	0.047	2	110.1100	0.002	2	110.2711	0.119	12	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](P[5]C[5,6a]PdC)(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]PdC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]P[5]H)	109.9495	0.059	2	109.9495	0.003	2	110.2711	0.119	12	110.0477	0.392	1063	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.8260	0.035	2	110.8260	0.001	2	111.2613	0.089	7	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	111.4354	0.022	5	111.4354	0.000	5	111.2613	0.089	7	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[3x5]HH)(N[5]C[5,5])(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](C[5]C[3x5]HH)(N[5]C[5,5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[3x5]C[5]H)	111.2856	0.117	7	111.2856	0.014	7	111.2856	0.014	7	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[3x5]C[5]H)	111.3247	0.067	4	111.3247	0.004	4	111.2592	0.043	10	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2{3|H<1>,5|C<3>}	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]H)	110.8805	0.054	2	110.8805	0.003	2	111.2592	0.043	10	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2{1|N<3>,6|C<3>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[3x5]C[5]H)	111.4165	0.009	2	111.4165	0.000	2	111.2592	0.043	10	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[3x5]C[5]H)	111.3495	0.054	2	111.3495	0.003	2	111.2592	0.043	10	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	111.2290	0.004	2	111.2290	0.000	2	111.5480	0.543	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	112.2435	0.898	4	111.7658	1.032	6	111.5480	0.543	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.8105	0.018	2	111.7658	1.032	6	111.5480	0.543	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	111.1510	0.018	2	111.1510	0.000	2	111.5480	0.543	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	111.6105	0.030	2	111.6105	0.001	2	111.5480	0.543	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2{4|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.9175	0.013	2	110.9175	0.000	2	110.9175	0.000	2	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.2148	0.210	4	111.1953	0.028	6	111.0943	0.024	16	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.1565	0.050	2	111.1953	0.028	6	111.0943	0.024	16	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.1140	0.042	2	111.0585	0.005	4	111.0943	0.024	16	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.0030	0.040	2	111.0585	0.005	4	111.0943	0.024	16	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8520	0.031	2	110.8520	0.001	2	111.0943	0.024	16	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	111.1810	0.008	2	111.1810	0.000	2	111.0943	0.024	16	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.0185	0.011	2	111.0185	0.000	2	111.0943	0.024	16	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H)	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]Cl)	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<2>,1|C<4>,1|N<2>}	H(C[5]C[5,5]C[5]H)	111.2440	0.059	2	111.2440	0.004	2	110.9819	0.679	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9935	0.044	4	111.1343	0.049	6	110.9819	0.679	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.4160	0.024	2	111.1343	0.049	6	110.9819	0.679	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.7790	0.518	2	110.7790	0.268	2	110.9819	0.679	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.4655	2.463	2	110.4655	6.066	2	110.9819	0.679	12	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.4972	0.023	4	111.4972	0.001	4	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,4|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9660	0.000	1	110.9660	0.000	1	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9927	0.245	10	110.9927	0.060	10	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.1300	1.823	2	110.9534	0.726	17	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	109.8150	1.714	2	110.9534	0.726	17	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0860	0.000	1	110.9534	0.726	17	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0955	0.036	4	110.9534	0.726	17	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3875	0.011	2	110.9534	0.726	17	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3455	0.019	2	110.9534	0.726	17	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3460	0.047	4	110.9534	0.726	17	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.4480	0.000	1	111.4480	0.000	1	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.4910	0.026	4	111.4910	0.001	4	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2365	0.059	2	111.2365	0.003	2	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.2380	0.027	2	111.2380	0.001	2	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,2|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.3520	0.011	2	111.2177	0.025	4	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.0835	0.056	2	111.2177	0.025	4	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.2165	0.016	2	111.2875	0.007	4	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3585	0.029	2	111.2875	0.007	4	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3549	0.090	7	111.2058	0.124	26	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0698	0.431	13	111.2058	0.124	26	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3267	0.260	6	111.2058	0.124	26	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	113.5370	1.000	2	113.5370	1.000	2	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.3530	0.000	1	111.1084	0.034	5	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1650	0.024	2	111.1084	0.034	5	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9295	0.066	2	111.1084	0.034	5	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.0055	0.402	2	111.0819	0.122	16	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.1050	0.375	8	111.0819	0.122	16	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.8325	0.029	2	111.0819	0.122	16	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.8510	0.049	2	111.0819	0.122	16	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.5465	0.022	2	111.0819	0.122	16	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	108.5505	3.874	2	108.5505	15.010	2	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.3305	0.037	2	111.3305	0.001	2	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1760	0.072	2	111.0739	0.031	15	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.9267	0.086	4	111.0739	0.031	15	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.2140	0.016	3	111.0739	0.031	15	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9650	0.031	2	111.0739	0.031	15	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3420	0.023	2	111.0739	0.031	15	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8970	0.058	2	111.0739	0.031	15	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9780	0.000	1	110.9780	0.000	1	111.1322	0.522	118	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2	C[5](C[5]C[5,5]HH)(S[5]C[5])(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.2530	0.041	2	110.2530	0.002	2	110.2530	0.002	2	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0577	0.156	4	111.0577	0.024	4	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2{1|N<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.1315	0.128	2	111.1315	0.016	2	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.1167	0.022	4	111.1167	0.000	4	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0830	0.000	1	110.9357	0.012	11	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8788	0.089	6	110.9357	0.012	11	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.9843	0.102	4	110.9357	0.012	11	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8485	0.025	2	110.9597	0.017	4	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0710	0.006	2	110.9597	0.017	4	111.0037	0.017	25	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.9535	0.054	2	110.9535	0.003	2	110.9918	0.064	6	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2{1|N<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.2910	0.006	2	111.0110	0.105	4	110.9918	0.064	6	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2{1|N<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7310	0.006	2	111.0110	0.105	4	110.9918	0.064	6	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.5095	0.033	2	111.5095	0.001	2	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.5220	0.030	3	111.5220	0.001	3	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.2525	0.022	2	111.2525	0.000	2	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1385	0.035	2	111.1385	0.001	2	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9970	0.047	2	110.6654	0.051	10	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.5020	0.076	6	110.6654	0.051	10	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8240	0.007	2	110.6654	0.051	10	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0015	0.012	2	110.8257	0.041	4	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6500	0.006	2	110.8257	0.041	4	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.5018	0.122	4	111.3886	0.624	8	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2795	0.025	2	111.3886	0.624	8	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2715	2.054	2	111.3886	0.624	8	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9707	0.048	4	110.9707	0.002	4	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,6]C[5]H)	111.0920	0.033	4	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2875	0.029	2	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0051	0.096	7	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2113	0.074	4	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5067	0.697	3	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1953	0.032	4	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2450	0.103	2	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9244	0.293	33	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2405	0.019	2	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1865	0.016	2	110.9996	0.090	63	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{3|C<3>}	H(C[5]C[5,6]C[5]H)	111.4237	0.070	3	111.4237	0.005	3	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2710	0.027	2	111.2710	0.001	2	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7115	0.029	2	110.7115	0.001	2	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	111.2580	0.027	2	111.2580	0.001	2	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1100	0.021	2	111.1100	0.000	2	111.0391	0.142	109	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4620	0.031	2	110.2927	0.026	6	110.2927	0.026	6	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.2080	0.118	4	110.2927	0.026	6	110.2927	0.026	6	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H){1|S<4>,2|C<3>}	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2Br)	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>}	C[5](C[5]C[5]HH)(C[5]O[5])(H)2{1|Mg<6>,2|H<1>}	H(C[5]C[5]2H)	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9310	0.000	1	110.4279	1.099	22	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8860	0.000	1	110.4279	1.099	22	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2040	0.014	2	110.4279	1.099	22	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8433	0.127	6	110.4279	1.099	22	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.2575	0.818	6	110.4279	1.099	22	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|Sn<4>,3|H<1>}	H(C[5]C[5]2H)	108.8855	3.040	2	110.4279	1.099	22	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4532	0.964	4	110.4279	1.099	22	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]2H)	111.2288	0.069	4	111.2288	0.005	4	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.3020	0.004	2	111.3020	0.000	2	110.6047	0.975	28	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9043	0.202	6	110.9043	0.041	6	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.1445	0.039	2	111.1445	0.002	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2{1|O<2>,3|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	111.3270	0.020	2	111.3270	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|Cl<1>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	111.3830	0.006	2	111.3830	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0165	0.019	2	111.0165	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2910	1.455	2	110.2910	2.118	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0498	0.249	4	111.0773	0.892	38	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9044	0.387	16	111.0773	0.892	38	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.4553	1.232	16	111.0773	0.892	38	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.4920	0.045	2	111.0773	0.892	38	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4160	0.016	2	111.4160	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Ru)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2Ru)(C[5]O[5]HH)(H)2{1|Ru<7>,3|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<7>,1|C<4>,1|C<5>}	H(C[5]C[5]2H)	111.8970	0.007	2	111.8970	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|B<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.5715	3.631	2	110.5715	13.184	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|Br<1>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	111.1320	0.018	3	111.1320	0.000	3	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.1535	0.021	2	111.1535	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.9192	0.185	6	110.9192	0.034	6	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0042	0.139	6	111.3341	1.938	25	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1770	0.000	1	111.3341	1.938	25	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.3955	0.035	2	111.3341	1.938	25	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.5155	1.939	13	111.3341	1.938	25	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.5060	0.000	1	111.3341	1.938	25	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0755	0.046	2	111.3341	1.938	25	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	111.1035	0.259	31	111.0834	0.069	33	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.7725	0.011	2	111.0834	0.069	33	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]2H)	111.0265	0.350	2	111.0265	0.123	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|F<1>,1|H<1>}	H(C[5]C[5]2H)	110.9470	0.021	2	110.9470	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1140	0.000	1	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7083	0.632	9	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8180	0.560	4	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0120	0.425	45	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0480	0.006	2	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<6>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<6>,3|H<1>}	H(C[5]C[5]2H)	110.1668	0.358	4	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0906	0.554	21	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	109.4420	0.085	2	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	110.1395	0.060	2	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]2H)	111.2868	0.167	6	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]2H)	110.7352	0.259	6	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.4960	0.775	4	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.2562	0.088	4	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]2H)	110.5235	0.064	2	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	111.2430	0.042	2	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<9>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<9>,2|H<1>}	H(C[5]C[5]2H)	111.5130	0.000	1	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0627	0.340	42	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9200	1.054	7549	110.9212	1.093	7706	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|I<1>}	H(C[5]C[5]2H)	111.2310	0.028	2	111.2310	0.001	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.1685	0.006	2	111.0760	0.397	14	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.3350	0.056	4	111.0760	0.397	14	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.7155	0.854	6	111.0760	0.397	14	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<4>,1|O<1>}	H(C[5]C[5]2H)	111.5470	0.027	2	111.0760	0.397	14	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	111.2947	0.225	6	111.3528	0.048	8	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.5270	0.024	2	111.3528	0.048	8	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(C[5]C[5]2H)	111.1480	0.020	2	111.1480	0.000	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[5]C[5]2H)	110.0055	0.349	2	110.6705	0.630	4	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>}	H(C[5]C[5]2H)	111.3355	0.009	2	110.6705	0.630	4	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]RuH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]RuH)(C[5]O[5]HH)(H)2{1|Ru<8>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<8>,1|Ru<9>,1|H<1>}	H(C[5]C[5]2H)	111.9369	1.036	8	111.9369	1.073	8	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8760	0.068	6	110.8760	0.005	6	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.1953	0.025	3	111.1953	0.001	3	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.3745	0.050	4	111.3745	0.002	4	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.0150	0.000	1	111.1940	0.024	3	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	111.2835	0.021	2	111.1940	0.024	3	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0500	0.037	2	111.3485	0.565	8	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7645	0.028	2	111.3485	0.565	8	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	112.4010	0.905	2	111.3485	0.565	8	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.1785	0.008	2	111.3485	0.565	8	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9460	0.042	2	110.9460	0.002	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1200	0.000	1	111.1200	0.000	1	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.2174	0.030	8	111.1687	0.016	12	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.0713	0.192	4	111.1687	0.016	12	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,1|W<6>}	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|C<4>,1|W<6>,2|H<1>}	H(C[5]C[5]2H)	110.1730	0.038	2	110.1730	0.001	2	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]S[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2{2|O<1>}	C[5](C[5]C[5]HH)(O[5]S[5])(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.5196	0.101	7	110.5196	0.010	7	110.9270	1.080	7925	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.9520	0.044	2	109.9520	0.002	2	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|F<1>}	H(C[5]C[5]2H)	113.6750	0.761	2	113.6750	0.579	2	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4160	0.004	2	109.9474	0.828	25	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4097	0.129	6	109.9474	0.828	25	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	107.3745	0.050	2	109.9474	0.828	25	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]2H)	110.0431	0.579	15	109.9474	0.828	25	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.5255	0.153	4	110.5255	0.023	4	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.1510	0.008	2	110.1510	0.000	2	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.3710	0.206	4	109.3710	0.043	4	110.1494	1.305	39	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2	H(C[5]C[5]2H)	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	108.7353	0.189	8	108.7353	0.036	8	108.7353	0.036	8	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2{2|C<3>}	C[5](C[5]N[5]HH)(O[5]B[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1500	0.079	4	111.1500	0.006	4	111.1500	0.006	4	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2{2|C<4>,2|O<2>}	H(C[5]N[3x5]C[5]H)	112.9482	3.386	6	112.9482	11.465	6	112.2486	9.867	8	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2{1|Br<1>,2|C<4>,2|O<2>}	H(C[5]N[3x5]C[5]H)	110.1500	0.007	2	110.1500	0.000	2	112.2486	9.867	8	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.8130	1.321	19	110.8130	1.745	19	110.8283	0.819	45	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	111.0367	0.153	12	111.0615	0.016	20	110.8283	0.819	45	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.0987	0.067	8	111.0615	0.016	20	110.8283	0.819	45	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2{1|Pd<4>,1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.0992	0.096	6	110.0992	0.009	6	110.8283	0.819	45	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	110.8843	0.086	4	110.8843	0.007	4	111.1144	0.063	14	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CdC)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CdC)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0840	0.000	1	111.0840	0.000	1	111.1144	0.063	14	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2010	0.256	8	111.2010	0.066	8	111.1144	0.063	14	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5]Pd)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5]Pd)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	111.3730	0.000	1	111.3730	0.000	1	111.1144	0.063	14	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2	C[5](C[5]N[5]HH)(S[5]In[5])(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2{1|Cl<1>,1|S<2>}	C[5](C[5]N[5]HH)(S[5]In[5])(H)2{1|Cl<1>,1|S<2>,2|C<4>}	H(C[5]C[5]N[5]H)	108.8695	0.090	2	108.8695	0.008	2	108.8695	0.008	2	110.9270	1.064	8409	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	H(C[5]C[3x5]C[5]H)	111.2310	0.017	2	111.2310	0.000	2	111.2310	0.000	2	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[4,5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H)	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H)	H(C[5]C[4,5,5]C[5]Br)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H){2|H<1>,5|C<4>}	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H){4|C<4>}	H(C[5]C[4,5,5]C[5]Br)	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,4x6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H)	H(C[5]C[5,4x6]C[5]H)	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2{1|H<1>,1|N<3>,6|C<4>}	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H){4|C<4>}	H(C[5]C[5,4x6]C[5]H)	110.9940	0.000	1	110.9940	0.000	1	110.9940	0.000	1	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H){1|H<1>,1|P<4>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.5230	0.010	2	110.5230	0.000	2	110.6607	0.017	6	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H){1|H<1>,1|P<4>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6485	0.063	2	110.6485	0.004	2	110.6607	0.017	6	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.8105	0.016	2	110.8105	0.000	2	110.6607	0.017	6	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CN)(H){1|C<4>,1|F<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.1515	0.023	2	111.1515	0.001	2	111.1515	0.001	2	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9385	0.021	2	110.9385	0.000	2	110.7275	0.440	8	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2{5|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|Br<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7780	0.035	2	110.7780	0.001	2	110.7275	0.440	8	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5968	0.985	4	110.5968	0.971	4	110.7275	0.440	8	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6010	0.020	2	110.6633	0.005	4	110.7226	0.025	7	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7255	0.022	2	110.6633	0.005	4	110.7226	0.025	7	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<4>,2|C<3>}	H(C[5]C[5,6,6]C[5]H)	111.0560	0.000	1	111.0560	0.000	1	110.7226	0.025	7	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6745	0.033	2	110.6745	0.001	2	110.7226	0.025	7	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1720	0.030	2	111.1720	0.001	2	111.1720	0.001	2	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5936	1.429	5	110.5936	2.042	5	111.1427	0.600	19	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2{5|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.6110	0.011	2	111.6110	0.000	2	111.1427	0.600	19	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.4215	0.032	2	111.2068	0.034	6	111.1427	0.600	19	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1785	0.050	2	111.2068	0.034	6	111.1427	0.600	19	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0205	0.030	2	111.2068	0.034	6	111.1427	0.600	19	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3800	0.178	6	111.3800	0.032	6	111.1427	0.600	19	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2Br)	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1545	0.008	2	111.1545	0.000	2	111.2425	0.010	4	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.3305	0.015	2	111.3305	0.000	2	111.2425	0.010	4	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.0175	3.740	2	110.0175	13.987	2	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.3815	0.025	2	111.3815	0.001	2	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4365	0.179	2	111.4365	0.032	2	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.4670	0.008	2	111.4670	0.000	2	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H){4|H<1>}	H(C[5]C[5]2H)	111.2180	0.035	2	111.2180	0.001	2	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6439	0.145	8	110.6439	0.021	8	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.2145	0.028	2	111.2145	0.001	2	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|Se<2>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9393	0.063	4	110.9393	0.004	4	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8400	0.040	2	110.8400	0.002	2	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8235	0.059	4	110.8235	0.004	4	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	108.6190	2.753	2	109.7018	4.091	4	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.7845	0.046	2	109.7018	4.091	4	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	112.1305	2.541	4	112.1305	6.458	4	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0012	0.031	4	111.0012	0.001	4	110.9211	1.509	42	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	110.9792	0.858	96	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2690	0.027	2	111.2690	0.001	2	111.2690	0.001	2	111.2445	0.001	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.2200	0.033	2	111.2200	0.001	2	111.2200	0.001	2	111.2445	0.001	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.0980	0.007	2	111.0980	0.000	2	111.0980	0.000	2	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H){1|O<2>,2|C<4>}	H(C[5]C[3x5]C[5]H)	111.2839	0.324	8	111.2839	0.105	8	111.2839	0.105	8	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.3950	0.034	2	111.3950	0.001	2	111.3950	0.001	2	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2{3|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.4115	0.005	2	111.4115	0.000	2	111.2327	0.652	7	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2870	1.906	2	111.2870	3.634	2	111.2327	0.652	7	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	H(C[5]C[5,5]C[5]H)	110.7740	0.000	1	110.7740	0.000	1	111.2327	0.652	7	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H){1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.2290	0.010	2	111.2290	0.000	2	111.2327	0.652	7	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0595	0.005	2	111.0595	0.000	2	110.9961	1.673	14	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	112.6350	2.206	2	112.6350	4.867	2	110.9961	1.673	14	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1600	0.013	2	111.1600	0.000	2	110.9961	1.673	14	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H){1|Cr<9>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.5260	0.030	2	111.5260	0.001	2	110.9961	1.673	14	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.1995	1.609	2	110.1995	2.588	2	110.9961	1.673	14	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,2|N<3>,2|O<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1085	0.022	2	111.1085	0.000	2	110.9961	1.673	14	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.2840	1.068	2	109.2840	1.140	2	110.9961	1.673	14	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3890	0.031	2	111.3890	0.001	2	111.3890	0.001	2	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.5525	0.005	2	111.5525	0.000	2	111.5525	0.000	2	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1695	0.011	2	111.1695	0.000	2	110.7649	0.109	8	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.4840	0.004	2	110.4840	0.000	2	110.7649	0.109	8	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(CN[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(CN[5]O)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.4470	0.030	2	110.4470	0.001	2	110.7649	0.109	8	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(COO)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.9590	0.017	2	110.9590	0.000	2	110.7649	0.109	8	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	H(C[5]C[5]2H)	110.4625	0.016	2	110.4625	0.000	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9303	0.196	4	110.9303	0.038	4	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	111.0520	0.021	2	111.0520	0.000	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8770	0.000	1	110.8770	0.000	1	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1890	0.023	2	111.1890	0.001	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.6270	0.051	2	111.6270	0.003	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){4|H<1>}	H(C[5]C[5]2H)	111.2205	0.015	2	111.2205	0.000	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H){4|H<1>}	H(C[5]C[5]2H)	110.5200	0.010	2	110.5200	0.000	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.2765	0.037	2	110.2765	0.001	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	111.2360	0.024	2	111.2360	0.001	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.5243	1.175	6	111.5243	1.381	6	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.9958	0.580	8	110.9958	0.336	8	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.3635	0.023	2	111.3635	0.001	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2{1|O<1>,4|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H){1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.9945	0.012	2	110.9945	0.000	2	111.0665	0.377	39	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.0560	1.276	4	110.0560	1.629	4	110.9762	0.585	18	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){4|H<1>}	H(C[5]C[5]2H)	111.3148	0.216	4	111.3148	0.047	4	110.9762	0.585	18	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H){4|H<1>}	H(C[5]C[5]2H)	111.4060	0.148	3	111.4060	0.022	3	110.9762	0.585	18	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.2785	0.005	2	111.2785	0.000	2	110.9762	0.585	18	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8490	0.018	2	110.8490	0.000	2	110.9762	0.585	18	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.2050	0.234	3	111.2050	0.055	3	110.9762	0.585	18	111.0686	0.533	102	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3620	0.042	2	111.3620	0.002	2	111.2707	0.026	3	113.6750	10.940	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0880	0.000	1	111.0880	0.000	1	111.2707	0.026	3	113.6750	10.940	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:2:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]2O)	117.2815	0.595	2	117.2815	0.354	2	117.2815	0.354	2	113.6750	10.940	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2495	0.046	2	111.2495	0.002	2	111.1640	0.023	3	111.1640	0.023	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH){1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.9930	0.000	1	110.9930	0.000	1	111.1640	0.023	3	111.1640	0.023	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	111.0677	0.150	7	111.0677	0.022	7	111.0677	0.022	7	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[5]C[4,5]C[5]H)	111.0220	0.076	4	111.0220	0.006	4	111.0220	0.006	4	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	111.0850	0.007	2	111.0850	0.000	2	111.0850	0.000	2	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<2>}	H(C[5]C[5,5]C[5]H)	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H){3|C<4>}	H(C[5]C[5,5]C[5]H)	111.4555	0.019	2	111.4555	0.000	2	111.1630	0.067	13	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9695	0.077	4	110.9411	0.005	7	111.1630	0.067	13	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.9033	0.043	3	110.9411	0.005	7	111.1630	0.067	13	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3275	0.025	2	111.3275	0.001	2	111.1630	0.067	13	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.4825	0.019	2	111.4825	0.000	2	111.1630	0.067	13	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:S-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(SC[6a]OO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(SC[6a]OO)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0590	0.000	1	111.0590	0.000	1	111.0590	0.000	1	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,2|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.9267	0.120	6	110.9267	0.014	6	110.9267	0.014	6	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1745	0.025	2	111.1745	0.001	2	111.1745	0.001	2	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2240	0.020	2	111.2240	0.000	2	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	111.3640	0.085	3	111.3640	0.007	3	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9055	0.006	2	110.9055	0.000	2	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H){2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.4230	0.021	2	111.4230	0.000	2	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.3810	0.010	2	111.3810	0.000	2	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1760	2.275	2	111.1760	5.178	2	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8790	0.017	2	110.8790	0.000	2	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1180	0.000	1	111.1180	0.000	1	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9795	0.022	2	110.9795	0.000	2	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.4143	0.150	6	110.4143	0.022	6	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.2678	0.065	4	111.2678	0.004	4	111.0251	0.330	28	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:S-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]O[5]HS)(H)2	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(SC[6a]OO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]O[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(SC[6a]OO)(H){1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.6885	0.011	2	111.6885	0.000	2	111.6885	0.000	2	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H)	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2Br)	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H)	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2Cl)	108.8190	0.000	1	108.8190	0.000	1	110.8383	1.000	6	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H)	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2Cl)	111.2422	0.164	5	111.2422	0.027	5	110.8383	1.000	6	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2F)	112.4747	1.466	3	112.4747	2.149	3	112.1584	0.916	8	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2F)	111.9686	0.639	5	111.9686	0.408	5	112.1584	0.916	8	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.6870	0.020	2	110.6870	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6150	0.054	2	109.2310	6.322	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	107.8470	3.362	2	109.2310	6.322	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0790	0.044	2	111.1381	0.029	11	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1512	0.185	9	111.1381	0.029	11	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0320	1.097	2	111.0320	1.204	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	111.1880	0.000	1	111.1880	0.000	1	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.5090	2.918	4	111.5090	8.512	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.9445	0.035	2	110.9445	0.001	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7398	0.910	4	110.7398	0.829	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2387	0.188	4	111.2387	0.035	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	H(C[5]C[5]2H)	111.5170	0.038	2	111.5170	0.001	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.9211	0.107	9	110.9211	0.011	9	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4125	0.012	2	111.4125	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1625	0.020	4	111.1625	0.000	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7955	0.009	2	110.7955	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|N<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<2>,2|C<4>}	H(C[5]C[5]2H)	111.0370	0.011	2	111.0370	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3875	0.897	2	110.7835	0.953	20	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	108.2985	1.685	2	110.7835	0.953	20	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.9816	0.160	14	110.7835	0.953	20	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.2780	0.049	2	110.7835	0.953	20	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	109.8410	2.837	2	109.8410	8.048	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.0629	0.139	8	111.0629	0.019	8	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9110	0.010	2	110.9110	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9990	0.011	2	110.9788	0.004	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9585	0.095	2	110.9788	0.004	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.9210	0.013	2	110.9210	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7995	0.196	4	110.7995	0.038	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]2H)	111.1945	0.892	2	111.1945	0.795	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Cl<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1166	0.021	8	111.1166	0.000	8	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9602	0.154	6	111.0499	0.045	8	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.3190	0.017	2	111.0499	0.045	8	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9998	0.072	10	110.9998	0.005	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9465	0.039	2	110.9005	0.143	55	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8651	0.288	16	110.9005	0.143	55	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0180	0.000	1	110.9005	0.143	55	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9104	0.429	36	110.9005	0.143	55	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1495	0.105	10	111.1103	0.013	14	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	111.0122	0.065	4	111.1103	0.013	14	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5960	0.010	2	110.5960	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0235	0.183	31	111.0473	0.034	41	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0465	0.095	8	111.0473	0.034	41	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	H(C[5]C[5]2H)	111.4200	0.004	2	111.0473	0.034	41	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8005	0.018	2	110.8005	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9405	0.006	2	110.9405	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9750	0.018	2	110.9750	0.000	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.4710	1.663	4	111.1160	1.035	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9600	0.389	2	111.1160	1.035	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Re<6>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Re<6>,2|H<1>}	H(C[5]C[5]2H)	110.7910	0.054	2	111.1160	1.035	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ru<9>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Ru<9>,2|H<1>}	H(C[5]C[5]2H)	110.8870	0.025	2	111.1160	1.035	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.5949	0.290	17	111.4332	0.094	30	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	111.2217	0.171	13	111.4332	0.094	30	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<2>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	H(C[5]C[5]2H)	111.2030	0.006	2	111.4210	0.014	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.4755	0.036	8	111.4210	0.014	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1993	0.133	4	111.1993	0.018	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	H(C[5]C[5]2H)	111.0015	0.040	2	111.0015	0.002	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7880	0.025	2	110.7880	0.001	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0668	0.956	10	110.9802	0.864	12	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.5470	0.909	2	110.9802	0.864	12	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.6975	0.040	2	111.6975	0.002	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5010	0.020	2	110.6997	0.026	6	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7420	0.018	2	110.6997	0.026	6	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.8560	0.018	2	110.6997	0.026	6	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	115.0645	6.857	2	115.0645	47.016	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0605	2.470	2	113.6960	18.779	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	116.3315	4.738	2	113.6960	18.779	4	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8780	0.004	2	110.3004	5.239	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1170	0.008	2	110.3004	5.239	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	109.8357	2.961	6	110.3004	5.239	10	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.7815	0.026	2	110.7815	0.001	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.9790	0.216	3	110.9790	0.047	3	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.1226	0.280	5	111.1810	0.063	7	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.3270	0.038	2	111.1810	0.063	7	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.3100	0.000	1	111.3100	0.000	1	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.3390	0.061	3	111.3390	0.004	3	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.4263	0.082	6	111.4263	0.007	6	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.0495	0.037	2	111.0495	0.001	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7175	0.076	2	110.7175	0.006	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.1270	0.055	2	111.1270	0.003	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.2655	0.023	2	111.2655	0.001	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.2275	0.043	2	111.2275	0.002	2	111.0645	0.968	369	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H){4|H<1>}	H(C[5]C[5]2H)	111.3130	0.054	2	111.3130	0.003	2	111.3130	0.003	2	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H){4|H<1>}	H(C[5]C[5]2H)	111.1170	0.023	2	111.1170	0.001	2	110.1168	0.859	5	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H){2|H<1>}	H(C[5]C[5]2H)	109.4500	0.223	3	109.4500	0.050	3	110.1168	0.859	5	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I){1|H<1>,1|N<3>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2I)	109.7610	0.000	1	109.7610	0.000	1	108.9037	0.567	3	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2I)	108.3510	0.000	1	108.4750	0.031	2	108.9037	0.567	3	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2I)	108.5990	0.000	1	108.4750	0.031	2	108.9037	0.567	3	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	111.4080	0.000	1	111.4080	0.000	1	111.0337	19.393	12	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	109.0310	0.000	1	109.0310	0.000	1	111.0337	19.393	12	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	110.1257	4.766	6	110.1257	22.713	6	111.0337	19.393	12	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]2O)	116.9940	0.054	2	112.8028	26.046	4	111.0337	19.393	12	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2O)	106.6280	0.000	1	112.8028	26.046	4	111.0337	19.393	12	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.5950	0.000	1	112.8028	26.046	4	111.0337	19.393	12	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|B<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H){1|B<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	111.0033	0.048	4	111.0033	0.002	4	111.0033	0.002	4	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2{2|O<2>}	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H){2|C<4>,2|O<2>}	H(C[5]C[5]N[5]H)	110.7895	0.018	2	110.7895	0.000	2	111.0231	0.228	11	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Cu<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1760	0.010	2	111.1760	0.000	2	111.0231	0.228	11	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2810	0.093	3	111.2810	0.009	3	111.0231	0.228	11	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]NiH)(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Ni<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5435	0.042	2	111.5435	0.002	2	111.0231	0.228	11	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]O[5]CH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.1965	0.013	2	110.1965	0.000	2	111.0231	0.228	11	111.0503	1.316	487	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H)	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]Br)	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH){1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2{1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH){1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0085	0.019	2	111.0085	0.000	2	111.0085	0.000	2	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.8435	0.022	4	110.8435	0.000	4	110.8435	0.000	4	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3670	0.167	3	111.3670	0.028	3	111.3670	0.028	3	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	108.4475	1.706	2	108.4475	2.911	2	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3415	3.955	2	110.3415	15.641	2	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	108.9968	0.602	6	108.9968	0.362	6	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC){4|H<1>}	H(C[5]C[5]2H)	111.4810	0.006	2	111.4810	0.000	2	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8923	1.898	6	110.8923	3.601	6	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7650	0.011	2	110.7650	0.000	2	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO){2|C<4>}	H(C[5]C[5]2H)	109.8220	0.245	2	109.8220	0.060	2	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CO)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH)	H(C[5]C[5]2H)	C[5](C[5]O[5]CO)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.2115	1.985	4	110.2115	3.940	4	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]O[5]CO)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO)	H(C[5]C[5]2H)	C[5](C[5]O[5]CO)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.1345	0.068	4	111.1345	0.005	4	110.2144	2.610	30	110.3910	2.002	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0703	0.096	6	111.0703	0.009	6	111.0592	0.075	12	110.8570	1.120	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1895	0.025	2	111.1895	0.001	2	111.0592	0.075	12	110.8570	1.120	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5540	0.031	2	110.5540	0.001	2	111.0592	0.075	12	110.8570	1.120	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO){2|H<1>}	H(C[5]C[5]2H)	111.4005	0.009	2	111.4005	0.000	2	111.0592	0.075	12	110.8570	1.120	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	109.7613	2.269	4	109.7613	5.147	4	110.5873	2.554	9	110.8570	1.120	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3033	0.071	4	111.3033	0.005	4	110.5873	2.554	9	110.8570	1.120	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH){1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.0280	0.000	1	111.0280	0.000	1	110.5873	2.554	9	110.8570	1.120	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6810	0.011	2	110.6810	0.000	2	110.6810	0.000	2	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.1560	0.006	2	111.1560	0.000	2	111.1560	0.000	2	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2{1|Si<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4520	0.042	2	110.4520	0.002	2	110.4520	0.002	2	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	112.7310	1.573	6	112.7310	2.475	6	112.2542	2.547	8	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3){2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8240	0.042	2	110.8240	0.002	2	112.2542	2.547	8	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.1355	0.025	2	111.1355	0.001	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.4050	0.030	2	111.4050	0.001	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0053	0.061	6	111.0053	0.004	6	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7755	0.045	2	110.7755	0.002	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	111.3850	0.055	2	111.3850	0.003	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9465	0.013	2	110.9465	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9700	0.024	2	110.9700	0.001	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.0305	0.011	2	110.9100	0.019	4	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7895	0.012	2	110.9100	0.019	4	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7230	0.021	2	110.7230	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6925	0.011	2	110.6925	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8455	0.025	2	110.8455	0.001	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8120	0.013	2	110.8120	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8525	0.009	2	110.8525	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7360	0.074	2	110.7962	0.658	10	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8113	0.918	8	110.7962	0.658	10	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1280	0.010	2	111.1280	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3475	0.013	2	111.3475	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	111.0430	0.011	2	111.0430	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.9990	0.000	1	111.1717	0.022	3	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<4>,1|O<1>}	H(C[5]C[5]2H)	111.2580	0.011	2	111.1717	0.022	3	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6765	0.022	2	110.6765	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6525	0.008	2	110.8440	0.032	5	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.9717	0.058	3	110.8440	0.032	5	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]O[5]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{3|C<4>}	H(C[5]C[5]2H)	110.7145	0.011	2	110.7145	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6960	0.117	3	110.6960	0.014	3	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	H(C[5]C[5]2H)	111.0312	0.023	4	111.0312	0.001	4	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.2945	0.383	4	111.2945	0.147	4	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2{2|C<4>}	H(C[5]C[5]2H)	111.4715	0.037	2	111.4715	0.001	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)2(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	H(C[5]C[5]2H)	111.4500	0.017	2	111.4500	0.000	2	110.9801	0.144	75	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-2:Si-4:Si-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.6532	0.143	15	109.6532	0.021	15	109.6532	0.021	15	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si[5]-2:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	110.9797	0.413	4	110.9797	0.171	4	110.9797	0.171	4	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(P[5]B[5]CC)(H)2	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2	H(C[5]C[5]P[5]H)	C[5](C[5]O[5]CC)(P[5]B[5]CC)(H)2{2|C<3>}	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2{2|C<3>,2|C<4>}	H(C[5]C[5]P[5]H)	110.0425	0.022	2	110.0425	0.000	2	110.0425	0.000	2	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2{1|Br<1>,2|C<4>,2|O<2>}	H(C[5]N[3x5]C[5]H)	109.3890	0.020	2	109.3890	0.000	2	109.3890	0.000	2	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:2:4:4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]ReC)(C[5]S[5]CC)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ReC)(C[5]S[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|Re<5>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	109.5285	6.520	2	109.5285	42.513	2	109.5285	42.513	2	110.8137	1.061	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.3180	0.103	4	110.3180	0.011	4	110.7010	0.359	6	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3,5,6]C[5]H)	111.4670	0.068	2	111.4670	0.005	2	110.7010	0.359	6	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]2C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.1400	0.000	1	110.1400	0.000	1	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|Br<1>,1|C<4>,1|S<4>}	H(C[5]C[3,5]C[5]H)	115.6008	9.977	4	115.6008	99.537	4	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|N<2>,1|S<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2{1|S<4>,2|C<4>}	H(C[5]C[3,5]C[5]H)	109.6765	2.357	2	109.6765	5.554	2	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.0305	1.993	2	110.3332	1.447	4	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.6360	0.020	2	110.3332	1.447	4	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5]H)	110.6765	0.018	4	111.1333	1.317	20	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5]H)	110.6495	0.108	8	111.1333	1.317	20	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|P<4>,2|C<4>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[3,5]C[5]H)	110.4075	0.006	2	111.1333	1.317	20	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<4>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]C[5]H)	111.7965	0.378	2	111.1333	1.317	20	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]C[5]H)	112.5890	1.972	4	111.1333	1.317	20	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|N<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.7360	0.013	2	110.7360	0.000	2	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]N[3,5]C)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[3,5]HH)(C[5]N[3,5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.9873	0.050	4	110.9873	0.002	4	111.3869	11.644	37	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2{4|C<4>}	H(C[5]C[3,5]C[5]H)	111.0275	0.026	2	111.0275	0.001	2	111.0275	0.001	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[3,5]HH)(S[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[3,5]HH)(S[5]C[3,5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.2430	0.034	2	110.2430	0.001	2	110.2430	0.001	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{2|C<3>,5|C<4>}	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	112.0825	5.124	2	112.0825	26.260	2	112.0825	26.260	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2{2|C<3>,2|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[3x5]C[5]H)	111.0150	0.143	5	111.0150	0.020	5	110.9746	0.013	11	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[3x5]C[5]H)	111.0395	0.018	2	111.0395	0.000	2	110.9746	0.013	11	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,2|N<3>,5|C<3>}	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[3x5]C[5]H)	110.8780	0.011	2	110.8918	0.000	4	110.9746	0.013	11	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]H)	110.9055	0.019	2	110.8918	0.000	4	110.9746	0.013	11	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[4,5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2	H(C[5]C[4,5,5,6]C[5]H)	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[4,5,5,6]C[5]H)	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[4,5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[4,5,5,6]C[5]H)	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	H(C[5]C[4,5,5,6]C[5]H)	110.6100	0.014	2	110.6100	0.000	2	110.6100	0.000	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	112.1920	3.280	2	112.1920	10.756	2	111.6603	6.226	3	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	110.5970	0.000	1	110.5970	0.000	1	111.6603	6.226	3	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.5350	0.034	2	110.5350	0.001	2	110.5350	0.001	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	111.4098	0.792	8	111.4098	0.627	8	111.3460	0.506	10	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,3x6]C[5]H)	111.0910	0.020	2	111.0910	0.000	2	111.3460	0.506	10	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8397	0.034	4	110.8397	0.001	4	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5675	0.006	2	110.5675	0.000	2	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8210	0.040	2	110.8578	0.002	5	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8660	0.000	1	110.8578	0.002	5	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8905	0.015	2	110.8578	0.002	5	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{3|C<4>,4|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.9915	3.474	2	111.9915	12.069	2	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	111.0280	0.013	2	111.0280	0.000	2	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.2805	0.006	2	111.2805	0.000	2	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2{3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4933	0.054	3	110.4933	0.003	3	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.8225	0.138	8	110.8225	0.019	8	110.9087	0.582	28	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.1570	0.027	2	111.1570	0.001	2	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8750	0.033	3	110.8750	0.001	3	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	112.2000	1.493	2	112.2000	2.230	2	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.5100	0.217	3	110.6312	0.318	5	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8130	1.034	2	110.6312	0.318	5	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.6122	0.062	5	110.6494	0.007	7	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.7425	0.013	2	110.6494	0.007	7	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7025	0.022	2	108.4370	6.904	4	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	106.1715	0.428	2	108.4370	6.904	4	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4530	0.160	2	110.4530	0.026	2	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.1875	1.813	6	111.1875	3.286	6	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.0065	0.011	2	111.0065	0.000	2	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.6340	0.071	2	110.7147	0.008	8	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6972	0.048	4	110.7147	0.008	8	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.8305	0.059	2	110.7147	0.008	8	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.2130	0.012	3	111.2130	0.000	3	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.5715	0.029	2	110.6562	0.010	4	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7410	0.035	2	110.6562	0.010	4	110.6836	1.465	48	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9634	0.058	10	110.9634	0.003	10	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	110.7080	0.000	1	110.7080	0.000	1	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7010	0.017	2	110.7010	0.000	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	112.7845	2.993	2	112.7845	8.959	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.3570	0.027	2	110.2008	0.022	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.1227	0.111	4	110.2008	0.022	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4633	0.046	4	110.4633	0.002	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3628	0.068	4	111.1622	0.041	10	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.1935	0.023	2	111.1622	0.041	10	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9460	0.043	4	111.1622	0.041	10	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0420	0.019	4	111.0420	0.000	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8477	2.012	12	110.8624	2.970	16	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9720	0.004	2	110.8624	2.970	16	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8415	0.076	2	110.8624	2.970	16	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,5]C[5]H)	110.8250	2.074	6	110.8250	4.301	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5700	0.004	2	110.6711	2.716	12	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.9450	0.000	1	110.6711	2.716	12	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8505	0.026	2	110.6711	2.716	12	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6527	0.388	4	110.6711	2.716	12	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3725	5.387	2	110.6711	2.716	12	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9110	0.000	1	110.6711	2.716	12	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0318	0.015	4	110.9611	0.008	14	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8937	0.041	8	110.9611	0.008	14	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0890	0.033	2	110.9611	0.008	14	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8603	0.047	4	110.7458	0.033	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.5170	0.017	2	110.7458	0.033	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.9290	0.021	2	111.0357	0.010	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0890	0.071	4	111.0357	0.010	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0865	0.016	2	111.0865	0.000	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.5945	0.019	2	110.7463	0.031	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.8980	0.006	2	110.7463	0.031	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|O<1>,2|N<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	113.8415	4.883	2	113.8415	23.840	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.8640	0.000	1	110.8640	0.000	1	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.7365	0.009	2	110.7365	0.000	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7200	0.023	2	110.7200	0.001	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0578	0.679	12	111.0578	0.461	12	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.6290	0.128	14	110.6559	0.026	16	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.6270	0.000	1	110.6559	0.026	16	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0620	0.000	1	110.6559	0.026	16	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	111.2370	0.041	2	111.2370	0.002	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.8837	0.088	3	110.9027	0.008	10	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.9368	0.070	4	110.9027	0.008	10	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.8763	0.135	3	110.9027	0.008	10	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.5345	0.018	2	110.5345	0.000	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.1095	0.025	2	110.1095	0.001	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	111.4215	3.444	2	111.4215	11.863	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7755	0.347	2	110.7253	0.068	3	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.6250	0.000	1	110.7253	0.068	3	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8720	0.075	6	110.8720	0.006	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	109.8970	0.008	2	111.0525	14.958	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	112.2080	6.288	2	111.0525	14.958	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.8280	0.007	2	110.7927	0.004	8	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7810	0.068	6	110.7927	0.004	8	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.0858	0.101	4	111.0858	0.010	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9775	0.077	4	110.9740	0.004	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9670	0.025	2	110.9740	0.004	6	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.4540	1.065	2	111.0435	7.801	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.6330	4.569	2	111.0435	7.801	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.1635	0.012	2	111.1635	0.000	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.8902	0.195	8	110.8341	0.027	14	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.7593	0.069	6	110.8341	0.027	14	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8385	0.054	2	110.8385	0.003	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6315	0.019	2	110.6315	0.000	2	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.6990	0.024	2	110.5605	0.027	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.4220	0.051	2	110.5605	0.027	4	110.8943	1.163	217	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0040	0.008	2	110.9390	0.004	6	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9065	0.044	4	110.9390	0.004	6	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9060	0.034	4	110.9060	0.001	4	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.9145	0.009	2	110.9430	0.001	4	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9715	0.006	2	110.9430	0.001	4	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.2380	0.018	2	111.2380	0.000	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.9496	0.127	5	111.0600	0.016	15	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.1152	0.084	10	111.0600	0.016	15	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.9755	0.079	8	110.9755	0.006	8	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.4295	0.053	2	111.4295	0.003	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.6380	7.630	2	111.6380	58.212	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.5995	0.021	2	110.5995	0.000	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.9508	0.095	6	110.9508	0.009	6	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>,2|S<2>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.0785	0.005	2	111.0785	0.000	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9405	0.037	2	110.9405	0.001	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.1810	0.037	2	111.1810	0.001	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.6775	0.024	4	110.6775	0.001	4	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	110.8595	0.029	2	110.8595	0.001	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2{1|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0100	0.000	1	111.0100	0.000	1	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5560	0.027	2	110.6353	0.019	3	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7940	0.000	1	110.6353	0.019	3	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7055	0.018	2	110.7055	0.000	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0895	0.012	2	111.0895	0.000	2	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0200	0.008	2	110.7402	0.053	6	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5290	0.071	2	110.7402	0.053	6	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6715	0.073	2	110.7402	0.053	6	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9068	0.024	4	110.9068	0.001	4	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1980	0.000	1	111.1980	0.000	1	110.9616	0.767	82	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0420	0.023	4	111.0420	0.001	4	110.4217	3.034	12	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0290	0.035	2	111.0290	0.001	2	110.4217	3.034	12	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6,6]C[5]H)	110.6425	0.029	2	110.6425	0.001	2	110.4217	3.034	12	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	H(C[5]C[5,6,6]C[5]H)	109.3875	2.984	4	109.3875	8.906	4	110.4217	3.034	12	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.3245	0.784	2	110.3245	0.615	2	110.3245	0.615	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H)	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]Cl)	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]F)	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.3315	0.009	2	111.3315	0.000	2	111.3315	0.000	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.2435	0.107	4	111.2338	0.007	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.2145	0.018	2	111.2338	0.007	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8150	0.034	2	110.8150	0.001	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2215	0.015	2	110.2215	0.000	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	107.6030	3.824	2	109.2548	8.512	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9065	0.012	2	109.2548	8.512	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.2355	4.345	2	110.4197	15.254	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.6040	4.921	2	110.4197	15.254	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6370	0.010	2	110.8810	0.179	3	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3690	0.000	1	110.8810	0.179	3	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|B<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7315	0.883	2	110.7315	0.780	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7315	0.064	2	110.4608	0.099	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{5|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.1900	0.027	2	110.4608	0.099	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3920	0.028	2	110.3920	0.001	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9270	0.145	4	110.9270	0.021	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2941	0.228	16	111.2941	0.052	16	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0167	0.112	6	111.0564	0.015	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1755	0.078	2	111.0564	0.015	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0680	0.006	2	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2945	0.588	16	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1400	0.084	4	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.4365	0.026	2	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6465	0.033	2	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Cl<1>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9495	0.104	4	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0831	0.187	8	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2311	0.484	180	111.2185	0.225	218	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8348	0.125	16	110.8304	0.019	23	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9725	0.054	2	110.8304	0.019	23	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7594	0.167	5	110.8304	0.019	23	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9820	0.072	2	110.7563	0.084	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6435	0.294	4	110.7563	0.084	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.7435	0.049	2	110.6232	0.008	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5160	0.008	2	110.6232	0.008	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6167	0.023	4	110.6232	0.008	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5550	0.000	1	110.8417	3.668	44	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8520	0.021	4	110.8417	3.668	44	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9103	0.659	4	110.8417	3.668	44	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6685	0.016	2	110.8417	3.668	44	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0210	0.030	2	110.8417	3.668	44	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5180	0.000	1	110.8417	3.668	44	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8511	2.320	30	110.8417	3.668	44	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8723	0.029	3	111.0514	0.029	7	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,5|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2250	0.018	2	111.0514	0.029	7	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.1465	0.015	2	111.0514	0.029	7	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4225	0.059	4	110.4225	0.003	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8315	0.033	2	111.3026	1.277	17	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9950	2.469	2	111.3026	1.277	17	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6715	0.039	2	111.3026	1.277	17	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.5590	1.104	11	111.3026	1.277	17	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.4330	0.006	2	110.8566	0.041	22	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7859	0.085	7	110.8566	0.041	22	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9170	0.010	2	110.8566	0.041	22	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7859	0.081	11	110.8566	0.041	22	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	108.7935	5.858	2	111.0184	10.458	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	112.0020	2.886	4	111.0184	10.458	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	111.2760	0.011	2	111.0184	10.458	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8590	0.356	4	110.8590	0.127	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	112.2645	2.464	2	112.2645	6.073	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.7750	0.043	4	110.7750	0.002	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8475	0.028	4	110.8375	0.001	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8175	0.039	2	110.8375	0.001	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9333	0.023	4	110.9333	0.001	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9253	0.208	6	110.9253	0.043	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.2072	0.126	17	111.1387	0.038	21	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9905	0.087	2	111.1387	0.038	21	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7040	0.020	2	111.1387	0.038	21	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9363	0.115	7	110.9363	0.013	7	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.2235	0.020	4	111.2235	0.000	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9518	0.178	4	111.1504	0.060	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.3080	0.034	2	111.1504	0.060	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.3900	0.006	2	111.1504	0.060	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8015	0.018	2	110.8015	0.000	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.7615	0.037	2	111.1291	4.798	21	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	111.3650	1.069	2	111.1291	4.798	21	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.7610	0.000	1	111.1291	4.798	21	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{2|O<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1686	2.507	16	111.1291	4.798	21	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9698	0.032	6	110.9698	0.001	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.9162	0.098	4	110.9162	0.010	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|O<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.9875	0.691	4	111.9875	0.477	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3230	0.013	2	110.6151	0.049	13	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4528	0.063	4	110.6151	0.049	13	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8246	0.122	5	110.6151	0.049	13	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7080	0.010	2	110.6151	0.049	13	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7210	0.014	2	110.8659	0.265	11	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	111.2135	0.026	2	110.8659	0.265	11	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8963	0.213	3	110.8659	0.265	11	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7160	0.040	2	110.8659	0.265	11	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7675	1.484	2	110.8659	0.265	11	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9465	0.111	2	110.9465	0.012	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.9783	0.035	4	110.9783	0.001	4	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.4260	0.808	2	111.4990	2.626	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	113.5765	2.245	2	111.4990	2.626	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4967	0.097	4	111.4990	2.626	8	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6750	0.173	9	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.9185	0.028	2	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7405	0.181	10	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.1533	1.161	11	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4525	0.013	2	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8275	0.012	2	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6381	0.130	20	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7656	0.164	8	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.2870	0.026	3	110.6315	0.287	67	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.8430	0.000	1	110.8430	0.000	1	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8220	0.011	2	110.7510	0.015	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7155	0.140	4	110.7510	0.015	6	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.5330	0.018	2	110.5330	0.000	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.7306	0.158	5	110.7306	0.025	5	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.7845	0.009	2	110.7845	0.000	2	111.0019	0.912	638	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3717	0.114	6	111.3201	0.053	8	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1655	0.490	2	111.3201	0.053	8	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0950	0.023	2	111.0950	0.001	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2{6|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6820	0.000	1	110.6820	0.000	1	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1020	0.011	2	111.1020	0.000	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0343	0.506	8	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8320	0.000	1	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7873	0.220	4	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3080	0.074	3	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.0580	0.000	1	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3140	0.024	4	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9295	0.016	2	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2777	0.696	3	111.0840	0.155	26	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1945	0.158	4	110.9416	0.279	12	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3030	0.025	2	110.9416	0.279	12	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0507	0.035	4	110.9416	0.279	12	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.8560	0.260	2	110.9416	0.279	12	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0260	0.004	2	111.0500	0.001	4	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.0740	0.008	2	111.0500	0.001	4	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.9860	0.023	2	110.9860	0.001	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|H<1>,1|S<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0190	0.000	1	111.0190	0.000	1	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1940	0.034	2	111.1940	0.001	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.4535	2.928	2	110.4622	1.718	6	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.4665	0.072	4	110.4622	1.718	6	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.4610	0.066	4	111.4610	0.004	4	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9940	0.016	2	110.9940	0.000	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.7750	0.084	6	110.5480	0.324	14	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2005	0.770	2	110.5480	0.324	14	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.9665	1.430	2	110.5480	0.324	14	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9195	0.043	2	110.5480	0.324	14	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4245	0.045	2	110.5480	0.324	14	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.9140	0.229	5	111.0493	0.096	7	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.3875	0.210	2	111.0493	0.096	7	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.0335	0.851	2	110.5506	0.219	8	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.5665	0.018	2	110.5506	0.219	8	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8710	0.010	2	110.5506	0.219	8	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7315	0.005	2	110.5506	0.219	8	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	112.4115	2.432	2	111.4758	3.139	4	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.5400	0.020	2	111.4758	3.139	4	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8535	1.409	2	110.8535	1.986	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2{1|C<4>,6|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5,6]C[5]H)	110.4123	0.063	3	110.4123	0.004	3	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9955	0.011	2	110.9955	0.000	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.4340	0.041	2	110.7340	0.121	4	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	111.0340	0.031	2	110.7340	0.121	4	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0030	0.011	2	111.0030	0.000	2	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,6]C[5]H)	110.6507	0.086	3	110.6507	0.007	3	110.9294	0.370	121	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]O)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]BrH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2Br)	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H)	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H){1|C<2>,2|C<3>}	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]2Cl)	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2F)	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	H(C[5]C[5]2F)	110.9160	1.322	4	110.9160	1.749	4	111.1057	1.089	7	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2F)	111.7500	0.178	2	111.3587	0.475	3	111.1057	1.089	7	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2F)	110.5760	0.000	1	111.3587	0.475	3	111.1057	1.089	7	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:B[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(B[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(B[5]C[5]N)(H)2{1|B<4>,3|H<1>}	H(C[5]C[5]2H)	110.6480	0.027	2	110.6480	0.001	2	110.6480	0.001	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.5065	0.047	2	110.5065	0.002	2	110.9372	0.118	6	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]C)(Br)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1525	0.098	4	111.1525	0.010	4	110.9372	0.118	6	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2{1|O<2>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5555	0.008	2	110.5555	0.000	2	110.5555	0.000	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.5660	0.010	2	110.5660	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.7314	0.150	10	110.7314	0.023	10	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.3920	0.000	1	110.4653	0.006	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5020	0.061	2	110.4653	0.006	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9780	0.024	2	110.5778	0.214	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.1775	0.036	2	110.5778	0.214	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2945	0.018	2	110.5612	0.026	12	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.7730	0.051	2	110.5612	0.026	12	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|C<4>}	H(C[5]C[5]2H)	110.5750	0.088	8	110.5612	0.026	12	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<2>,2|C<3>}	H(C[5]C[5]2H)	110.6700	0.010	2	110.4665	0.027	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2702	0.040	6	110.4665	0.027	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.5923	0.039	4	110.4665	0.027	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{3|C<4>}	H(C[5]C[5]2H)	110.6410	0.004	2	110.4665	0.027	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4504	0.080	5	110.4665	0.027	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{3|C<3>}	H(C[5]C[5]2H)	111.0340	0.000	1	111.0340	0.000	1	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6525	0.036	4	110.9108	3.979	15	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4955	0.008	2	110.9108	3.979	15	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4968	0.082	5	110.9108	3.979	15	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6745	0.015	2	110.9108	3.979	15	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[5]C[5]2H)	113.1140	6.662	2	110.9108	3.979	15	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.8340	0.027	2	110.8925	0.792	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9360	0.041	5	110.8925	0.792	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5980	0.018	2	110.8925	0.792	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.2345	0.325	2	110.8925	0.792	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	112.9665	1.842	2	110.8925	0.792	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7245	0.012	2	110.8925	0.792	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.3907	0.110	4	110.8925	0.792	19	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.4740	0.040	4	110.5522	0.009	18	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.5815	0.107	10	110.5522	0.009	18	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5572	0.076	4	110.5522	0.009	18	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5250	0.102	2	110.5250	0.010	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.5850	0.853	2	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8518	0.235	6	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8085	0.866	2	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	111.3285	1.146	2	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0273	1.403	22	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.9620	0.011	2	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.8263	0.112	6	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0240	0.020	2	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.7814	2.841	10	111.1093	2.331	54	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7977	0.048	3	110.7977	0.002	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.2920	0.004	2	110.5713	0.234	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	111.1300	0.000	1	110.5713	0.234	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7683	0.130	6	110.7683	0.017	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.3895	0.013	2	110.4218	0.001	5	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.4433	0.017	3	110.4218	0.001	5	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	111.1040	0.000	1	111.1040	0.000	1	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9730	0.109	4	111.0028	0.014	10	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0227	0.129	6	111.0028	0.014	10	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9170	0.062	2	110.9170	0.004	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4580	0.004	2	110.7498	0.115	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.0415	0.074	2	110.7498	0.115	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.0710	0.092	4	111.0565	0.006	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]2H)	111.0275	0.013	2	111.0565	0.006	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{2|H<1>,2|S<3>}	H(C[5]C[5]2H)	112.0530	1.778	2	112.0530	3.160	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|C<4>}	H(C[5]C[5]2H)	111.0230	3.042	2	111.0230	9.254	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.6245	0.006	2	110.6245	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Cu<2>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Cu<2>,2|C<4>}	H(C[5]C[5]2H)	111.1015	0.037	2	110.6289	0.074	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4396	0.208	8	110.6289	0.074	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Pd<4>,2|C<4>}	H(C[5]C[5]2H)	110.6858	0.194	10	110.6289	0.074	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.5220	0.057	2	110.8939	2.561	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	111.1490	0.004	2	110.8939	2.561	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.9768	0.060	4	110.8939	2.561	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.3350	1.704	6	110.8939	2.561	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6905	0.851	4	110.8939	2.561	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	109.9280	5.322	2	110.8939	2.561	20	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7870	0.020	2	110.8817	0.012	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9765	0.012	2	110.8817	0.012	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9287	0.640	8	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5930	0.404	4	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1206	0.585	19	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.8349	0.371	14	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Co<6>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.3995	0.026	2	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8705	0.590	96	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9567	0.846	16	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.0210	0.010	2	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.4625	0.019	2	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.4440	0.846	2	110.8989	0.358	165	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.5154	0.098	25	110.5154	0.010	25	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.2605	0.057	2	110.2605	0.003	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<4>,1|O<1>,1|P<4>}	H(C[5]C[5]2H)	108.0555	5.730	2	108.0555	32.829	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7010	0.007	2	110.7010	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4537	0.138	15	110.6440	0.101	48	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.8383	0.176	4	110.6440	0.101	48	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|W<7>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	110.8945	0.050	2	110.6440	0.101	48	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Co<6>,2|H<1>}	H(C[5]C[5]2H)	110.7420	0.000	1	110.6440	0.101	48	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Cu<4>,2|H<1>}	H(C[5]C[5]2H)	110.7206	0.417	17	110.6440	0.101	48	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6634	0.292	9	110.6440	0.101	48	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.7785	0.022	2	110.7785	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4440	0.055	2	110.4120	0.351	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|W<7>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	109.8490	0.741	2	110.4120	0.351	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]2H)	110.9430	0.037	2	110.4120	0.351	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0625	0.500	2	110.0625	0.250	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Al<4>,2|H<1>}	H(C[5]C[5]2H)	110.7543	0.428	6	110.5204	5.389	14	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9917	0.139	4	110.5204	5.389	14	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	108.7285	7.835	2	110.5204	5.389	14	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Cr<6>,2|H<1>}	H(C[5]C[5]2H)	110.6675	0.094	2	110.5204	5.389	14	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<6>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]2H)	110.9633	0.051	4	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8779	0.228	21	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5658	0.142	4	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6392	0.667	294	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8300	0.369	34	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|H<1>}	H(C[5]C[5]2H)	111.0436	1.522	28	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.8933	1.908	6	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]2H)	109.8035	0.378	4	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<5>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<5>,2|H<1>}	H(C[5]C[5]2H)	110.0687	0.311	4	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<5>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Rh<5>,2|H<1>}	H(C[5]C[5]2H)	110.6749	0.296	10	110.7030	0.583	409	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<1>}	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0890	0.013	2	111.0890	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.4415	0.489	4	110.4415	0.239	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	110.3785	0.011	2	110.3785	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.4603	2.692	6	111.2986	5.265	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.8135	0.009	2	111.2986	5.265	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0045	0.497	24	111.0045	0.247	24	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Re<6>}	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7770	0.044	2	110.7770	0.002	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ru<9>}	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9185	0.050	2	110.9185	0.003	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.7535	0.015	2	110.7535	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.3610	0.011	2	111.3610	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Ca<6>,2|H<1>}	H(C[5]C[5]2H)	110.7335	0.046	2	110.6607	5.073	16	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.3504	0.171	8	110.6607	5.073	16	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Li<4>,2|H<1>}	H(C[5]C[5]2H)	108.8550	4.390	4	110.6607	5.073	16	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Sr<8>,2|H<1>}	H(C[5]C[5]2H)	111.4410	0.048	2	110.6607	5.073	16	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]Ir)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>}	C[5](C[5]C[5]HH)(C[5]O[5]Ir)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.6853	0.205	6	110.6853	0.042	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.4925	0.725	4	111.3426	0.257	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.1928	0.120	4	111.3426	0.257	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>}	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.6430	0.014	2	110.6430	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>}	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.2620	0.000	1	111.3937	0.013	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<9>}	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.4595	0.011	2	111.3937	0.013	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.3920	0.000	1	108.4323	2.884	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	107.4525	0.086	2	108.4323	2.884	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.3050	0.023	2	110.5537	0.397	25	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0146	0.069	7	110.5537	0.397	25	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|S<2>,4|H<1>}	H(C[5]C[5]2H)	110.0261	0.844	8	110.5537	0.397	25	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9305	0.126	4	110.5537	0.397	25	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5498	0.140	4	110.5537	0.397	25	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]2H)	110.4005	0.035	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4060	0.000	1	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9517	0.086	6	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7080	0.018	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9115	0.019	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.6200	0.016	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	109.9200	1.808	6	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.7618	0.214	8	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.2976	0.365	37	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.1295	0.184	4	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2532	0.386	6	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<3>,2|H<1>}	H(C[5]C[5]2H)	110.6445	0.028	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.5509	0.093	7	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9592	0.116	4	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6747	0.477	6	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.4638	0.074	4	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4310	0.148	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|Cl<1>,2|H<1>}	H(C[5]C[5]2H)	108.5935	0.899	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	112.8475	4.925	2	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0180	1.579	27	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0717	0.221	4	110.6063	1.100	136	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.4000	0.724	2	111.4000	0.524	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6343	1.386	20	110.4450	1.261	34	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4783	0.081	4	110.4450	1.261	34	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<4>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<4>,2|H<1>}	H(C[5]C[5]2H)	110.2132	0.192	6	110.4450	1.261	34	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.8125	0.875	4	110.4450	1.261	34	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0020	0.133	4	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7343	0.245	8	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2753	0.367	37	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<2>,1|P<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<3>,3|H<1>}	H(C[5]C[5]2H)	110.4907	0.779	4	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	110.8628	0.114	4	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.3358	0.316	8	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.6120	0.021	2	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0174	0.061	7	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7770	0.548	45	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.6731	0.342	54	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7777	0.287	15	110.6356	0.199	188	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0292	0.635	31	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4048	1.045	59	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0094	0.037	5	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8850	0.027	2	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0758	0.169	6	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2558	0.367	6	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9562	0.179	20	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.5578	0.985	6	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.2179	0.208	7	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.3550	0.316	8	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	112.3347	3.813	6	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2535	2.034	2	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9253	2.040	24	110.7041	1.600	182	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<3>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6610	0.042	2	110.6562	0.100	65	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5696	0.086	8	110.6562	0.100	65	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.6030	0.013	2	110.6562	0.100	65	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6711	0.347	53	110.6562	0.100	65	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0860	0.007	2	111.0860	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.9960	3.707	2	111.3412	3.006	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.0138	0.047	4	111.3412	3.006	6	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.1305	0.014	4	111.0442	0.009	12	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.8780	0.000	1	111.0442	0.009	12	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.0187	0.075	7	111.0442	0.009	12	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.3500	0.037	3	111.3500	0.001	3	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.4175	0.047	2	110.4175	0.002	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0660	0.038	2	111.0660	0.001	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	113.4720	2.879	2	112.1223	5.193	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.7725	0.011	2	112.1223	5.193	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	112.0512	2.071	4	112.0512	4.290	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.2405	0.009	2	110.4958	2.364	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.7510	2.208	2	110.4958	2.364	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.7305	0.044	6	110.7097	0.003	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6475	0.026	2	110.7097	0.003	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	110.3983	0.174	4	110.3983	0.030	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.2053	1.736	4	111.2053	3.015	4	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.7110	0.590	2	111.2446	5.788	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	111.2340	3.851	2	111.2446	5.788	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,2|C<3>}	H(C[5]C[5]2H)	112.6285	3.417	2	111.2446	5.788	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[5]2H)	111.4050	2.253	2	111.2446	5.788	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7530	0.037	2	110.8075	0.034	18	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8124	0.218	10	110.8075	0.034	18	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7090	0.044	4	110.8075	0.034	18	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0345	0.050	2	110.8075	0.034	18	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.8670	0.006	2	110.8670	0.000	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.1248	0.276	8	111.1248	0.076	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.5700	0.000	1	110.5700	0.000	1	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8950	0.033	2	110.8950	0.001	2	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]Se[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]Se[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	108.7630	0.220	8	108.7630	0.048	8	110.7215	0.894	1746	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:I-1:I-1:	C[5]-4:	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2	H(C[5]C[5]2H)	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1735	0.036	2	111.1735	0.001	2	111.1735	0.001	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.3815	0.005	2	111.3815	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]2H)	110.5415	0.052	2	110.5415	0.003	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|Br<1>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.3090	0.008	2	111.3090	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0270	0.000	1	111.0270	0.000	1	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.0745	0.986	2	110.7105	0.711	10	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.0790	1.717	2	110.7105	0.711	10	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7395	1.162	2	110.7105	0.711	10	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.8298	0.054	4	110.7105	0.711	10	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7720	0.080	3	110.7913	0.012	6	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8985	0.012	2	110.7913	0.012	6	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.6350	0.000	1	110.7913	0.012	6	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|F<1>,1|O<1>}	H(C[5]C[5]2H)	112.4685	1.479	2	112.4685	2.186	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5285	0.008	2	110.8111	0.148	15	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8705	1.018	2	110.8111	0.148	15	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7250	0.070	8	110.8111	0.148	15	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]2H)	110.7140	0.000	1	110.8111	0.148	15	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4270	0.035	2	110.8111	0.148	15	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.3420	0.007	2	110.9781	0.095	23	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1393	0.281	4	110.9781	0.095	23	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1035	0.329	4	110.9781	0.095	23	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7374	0.256	9	110.9781	0.095	23	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.0510	0.097	4	110.9781	0.095	23	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8305	0.049	2	110.8305	0.002	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7445	0.181	4	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	111.0585	0.006	2	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9137	0.246	7	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.0563	0.219	8	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.9818	0.086	4	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.9806	0.062	7	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.0673	0.205	14	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.9690	0.142	7	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	109.8930	0.202	4	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9443	0.073	3	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3480	0.537	2	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3410	0.006	2	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0245	0.059	2	110.7317	0.204	66	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Al)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Al)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7474	0.329	7	110.7474	0.108	7	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|B<3>,3|H<1>}	H(C[5]C[5]2H)	110.8628	1.754	4	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<2>,3|H<1>}	H(C[5]C[5]2H)	111.0385	0.006	2	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6484	0.074	7	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0272	0.667	55	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7807	0.898	109	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8560	1.162	14	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.1405	4.314	2	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0353	0.079	4	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7589	1.370	10	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.4230	0.034	2	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9602	0.087	10	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5550	0.123	3	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8855	0.011	2	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8067	0.636	578	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	107.3185	4.113	2	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5527	0.580	276	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5440	0.853	29	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1761	0.081	8	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8177	0.324	165	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8806	0.944	494	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0535	1.037	43	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	111.8080	0.852	4	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|U<12>,1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5238	0.264	13	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5908	0.266	6	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0966	0.492	8	110.7945	0.597	1850	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2155	0.026	2	110.9977	0.064	4	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7800	0.021	2	110.9977	0.064	4	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Cr)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6900	0.074	2	110.6900	0.005	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7501	0.389	19	110.7501	0.152	19	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3015	0.026	2	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8071	2.120	8	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0226	0.196	16	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7398	0.296	8	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Cr<6>,2|H<1>}	H(C[5]C[5]2H)	110.7940	0.000	1	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5883	1.130	24	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	111.9180	1.297	2	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7675	0.802	59	110.7947	0.890	120	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Mo)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Mo)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.9405	0.045	2	110.9405	0.002	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0685	0.022	2	110.5708	3.723	43	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4923	3.175	15	110.5708	3.723	43	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9384	0.242	5	110.5708	3.723	43	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6225	0.870	17	110.5708	3.723	43	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.9375	0.054	4	110.5708	3.723	43	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2{3|H<1>}	H(C[5]C[5]2H)	111.0735	0.095	4	110.8268	0.075	8	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5800	0.067	4	110.8268	0.075	8	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3860	0.025	2	111.2300	3.286	4	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	112.0740	2.647	2	111.2300	3.286	4	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2130	0.025	2	110.6665	0.705	140	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6731	0.844	138	110.6665	0.705	140	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	109.9507	0.311	4	110.0310	0.082	8	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<5>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.1112	0.280	4	110.0310	0.082	8	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<5>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5845	0.392	11	110.5597	0.113	15	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4917	0.085	4	110.5597	0.113	15	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0374	0.079	8	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1985	0.129	6	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9700	0.283	53	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1130	0.000	1	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0334	0.256	33	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.0242	0.098	4	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.0585	0.015	2	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6333	0.564	23	110.9300	0.139	130	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3650	0.007	2	111.0515	0.060	6	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8948	0.044	4	111.0515	0.060	6	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<10>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9629	0.321	8	110.7308	0.565	27	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<11>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8683	1.239	9	110.7308	0.565	27	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<9>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.4213	0.121	10	110.7308	0.565	27	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|W<7>}	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6283	0.925	4	110.5571	0.759	12	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|W<7>}	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9845	0.016	2	110.5571	0.759	12	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|W<7>}	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.2305	1.037	2	110.5571	0.759	12	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|W<7>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4355	1.162	4	110.5571	0.759	12	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9985	0.023	2	110.9985	0.001	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	111.2215	0.013	2	111.2215	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.3670	0.030	2	110.9782	0.356	9	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	109.4740	0.000	1	110.9782	0.356	9	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1510	0.072	2	110.9782	0.356	9	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0735	0.247	4	110.9782	0.356	9	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.8495	0.016	2	110.8495	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1647	0.090	3	110.9397	0.048	7	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7710	0.038	4	110.9397	0.048	7	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	110.8770	0.066	2	110.8770	0.004	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.8550	0.064	2	110.8550	0.004	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[5]C[5]2H)	111.5510	0.000	1	111.5510	0.000	1	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|I<1>}	H(C[5]C[5]2H)	111.2560	0.000	1	111.2560	0.000	1	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.6940	0.063	4	110.6940	0.004	4	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.7245	0.018	2	110.7245	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8410	0.000	1	110.8410	0.000	1	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.8645	0.232	8	110.8645	0.054	8	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0189	0.254	14	111.3143	0.761	16	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{5|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	113.3815	0.899	2	111.3143	0.761	16	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7085	0.015	2	110.7085	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	110.3875	0.005	2	110.3875	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0180	0.014	2	110.9090	0.016	4	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.8000	0.011	2	110.9090	0.016	4	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2{1|P<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4200	0.250	2	110.4200	0.063	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2{1|C<4>,2|O<1>}	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2{1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5]2H)	109.8280	0.013	2	109.8280	0.000	2	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)2(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)2(H)2{2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2912	6.478	12	111.2912	41.968	12	110.7947	0.789	2611	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:O-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1770	0.069	2	111.1770	0.005	2	111.1770	0.005	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7319	0.628	101	110.8706	0.386	212	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4327	0.732	7	110.8706	0.386	212	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9634	0.687	56	110.8706	0.386	212	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1183	0.361	48	110.8706	0.386	212	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.0020	2.466	22	110.0020	6.079	22	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<10>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0549	0.426	8	110.8861	0.239	53	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1770	0.275	3	110.8861	0.239	53	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<13>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9258	0.433	18	110.8861	0.239	53	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1325	0.213	8	110.8861	0.239	53	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7667	0.579	16	110.8861	0.239	53	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Be)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Be<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Be)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2417	0.042	4	111.2417	0.002	4	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1610	0.295	4	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8291	0.216	13	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2368	0.102	4	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7713	0.495	7	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6398	0.368	36	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.6935	0.097	2	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8848	0.467	179	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0056	0.457	65	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8343	0.428	84	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9459	0.462	47	110.8809	0.202	441	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cd)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cd<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cd)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6119	1.004	8	110.6119	1.007	8	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ce)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ce<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ce)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7160	0.000	1	110.7160	0.000	1	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1757	0.239	4	110.8934	0.356	114	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7740	0.441	22	110.8934	0.356	114	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4510	1.033	17	110.8934	0.356	114	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0204	0.443	71	110.8934	0.356	114	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<10>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.9160	0.160	8	110.9239	1.566	223	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	H(C[5]C[5]2H)	112.1725	2.867	12	110.9239	1.566	223	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9551	0.349	54	110.9239	1.566	223	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8587	1.299	133	110.9239	1.566	223	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8915	0.176	12	110.9239	1.566	223	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0360	0.244	4	110.9239	1.566	223	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0851	0.478	10	110.9291	0.160	49	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9109	0.318	23	110.9291	0.160	49	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8072	0.452	8	110.9291	0.160	49	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9086	0.481	8	110.9291	0.160	49	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7073	0.164	4	110.6629	0.020	8	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6185	0.120	4	110.6629	0.020	8	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Er)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Er<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Er)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5033	1.264	4	110.5033	1.598	4	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3154	0.152	8	110.9843	0.167	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8975	0.291	15	110.9843	0.167	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<13>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2345	0.016	2	110.9843	0.167	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1386	0.438	11	110.9843	0.167	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7297	0.425	16	110.9843	0.167	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0427	0.445	9	110.9843	0.167	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1156	0.211	8	110.9423	0.206	227	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0454	0.348	74	110.9423	0.206	227	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3943	0.450	6	110.9423	0.206	227	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9266	0.382	50	110.9423	0.206	227	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.3925	0.009	2	110.9423	0.206	227	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9021	0.505	83	110.9423	0.206	227	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3170	0.086	4	110.9423	0.206	227	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0190	0.399	43	111.0004	1.073	47	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8013	3.765	4	111.0004	1.073	47	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Hf)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Hf<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Hf)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6173	0.421	6	110.6173	0.177	6	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2130	0.051	8	111.1947	1.324	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1856	1.424	16	111.1947	1.324	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9207	1.695	4	110.7069	1.358	8	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4930	0.417	4	110.7069	1.358	8	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<1>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3625	0.032	2	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9266	0.556	223	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{3|H<1>}	H(C[5]C[5]2H)	114.0410	3.748	4	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8879	0.764	1760	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8532	0.429	191	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9062	0.381	50	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.9190	3.428	19	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9991	0.232	19	110.8880	0.640	2268	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.6472	0.195	4	110.7621	0.484	12	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5173	0.253	4	110.7621	0.484	12	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1218	0.043	4	110.7621	0.484	12	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7475	0.455	4	110.8635	0.423	910	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7862	1.235	132	110.8635	0.423	910	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8457	0.489	189	110.8635	0.423	910	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8731	0.464	480	110.8635	0.423	910	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.1565	0.018	2	110.8635	0.423	910	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9673	0.668	63	110.8635	0.423	910	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9704	0.365	40	110.8635	0.423	910	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8106	0.679	22	110.8749	0.302	42	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7756	0.371	10	110.8749	0.302	42	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3845	0.012	2	110.8749	0.302	42	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0484	0.267	8	110.8749	0.302	42	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2015	0.169	14	111.0630	0.154	21	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7861	0.562	7	111.0630	0.154	21	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<15>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3215	0.047	2	110.5335	0.346	11	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<19>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9760	0.000	1	110.5335	0.346	11	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5311	0.673	8	110.5335	0.346	11	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0259	0.283	11	111.0379	0.713	89	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4325	0.560	4	111.0379	0.713	89	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3649	2.341	10	111.0379	0.713	89	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7885	0.018	2	111.0379	0.713	89	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0303	0.396	58	111.0379	0.713	89	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0932	0.172	4	111.0379	0.713	89	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Np)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Np<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Np)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0104	0.282	19	111.0104	0.079	19	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Pd)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pd<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Pd)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.5106	2.032	7	111.5106	4.129	7	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Pt)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pt<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Pt)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7524	0.451	8	110.7524	0.203	8	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4778	0.073	4	110.7542	0.262	42	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7833	0.530	38	110.7542	0.262	42	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7300	0.255	4	110.9809	0.100	27	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0245	0.309	23	110.9809	0.100	27	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8319	0.324	7	111.0051	0.104	15	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1568	0.249	8	111.0051	0.104	15	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6179	0.557	20	110.6313	0.289	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6980	0.492	4	110.6313	0.289	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<10>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5198	0.255	4	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0346	0.156	8	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0856	0.534	19	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2873	0.161	8	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2452	0.215	34	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3805	0.339	12	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0030	0.522	20	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9025	0.057	4	111.0262	0.204	109	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1199	0.137	8	111.1199	0.019	8	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9406	0.374	8	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9198	0.664	35	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<13>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9228	0.414	31	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.0515	0.218	4	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<15>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7763	1.889	4	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<16>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1532	0.122	4	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<19>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1887	0.239	4	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8359	1.582	18	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9632	0.358	19	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8047	0.580	38	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1572	0.289	40	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7756	0.574	43	110.9055	0.461	248	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3363	0.499	6	110.6533	0.645	26	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7485	0.861	20	110.6533	0.645	26	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1675	0.097	4	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7123	0.494	12	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0169	0.347	21	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1077	0.326	29	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1819	0.288	27	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{3|H<1>}	H(C[5]C[5]2H)	111.4560	0.033	2	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9588	0.378	31	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0195	0.347	35	111.0368	0.133	161	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ta)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ta<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ta)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5917	0.056	4	110.5917	0.003	4	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Tc)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tc<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Tc)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9506	0.318	12	110.9506	0.101	12	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<10>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2388	0.155	9	110.9240	0.431	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3577	0.906	4	110.9240	0.431	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7407	0.985	27	110.9240	0.431	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0554	0.239	29	110.9240	0.431	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6972	0.649	14	110.9240	0.431	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8387	0.362	7	110.9240	0.431	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0390	0.184	3	110.9240	0.431	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Tm)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tm<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Tm)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9455	0.461	4	110.9455	0.212	4	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8545	0.232	4	111.0558	0.109	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<13>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1979	0.271	29	111.0558	0.109	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9165	0.338	21	111.0558	0.109	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0000	0.382	7	111.0558	0.109	61	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<5>,1|H<1>,1|V<7>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{1|C<5>,3|H<1>}	H(C[5]C[5]2H)	110.9005	0.110	2	111.0376	0.456	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.0542	1.079	4	111.0376	0.456	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0043	0.180	7	111.0376	0.456	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2085	0.069	8	111.0376	0.456	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0706	0.828	45	111.0376	0.456	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0607	0.399	23	111.0376	0.456	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3023	0.073	4	111.0376	0.456	93	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2818	0.176	4	110.7084	0.181	39	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4956	0.312	27	110.7084	0.181	39	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1400	0.173	8	110.7084	0.181	39	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4813	0.186	8	110.5467	0.178	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<13>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1605	0.019	2	110.5467	0.178	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<15>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4553	0.281	4	110.5467	0.178	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<16>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1435	0.102	4	110.5467	0.178	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.0927	0.136	6	110.5467	0.178	24	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0114	0.351	7	110.7236	1.117	51	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<14>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6922	0.422	18	110.7236	1.117	51	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<15>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6000	0.599	4	110.7236	1.117	51	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5542	1.779	16	110.7236	1.117	51	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0158	0.623	6	110.7236	1.117	51	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2666	0.096	17	110.8936	0.219	104	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4988	0.614	5	110.8936	0.219	104	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8403	0.466	82	110.8936	0.219	104	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<10>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7199	0.541	7	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<11>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8072	0.167	4	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<12>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7748	0.370	12	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<13>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5894	0.799	30	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7368	0.508	45	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6582	0.849	12	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<8>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6250	0.398	24	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<9>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3685	0.077	13	110.7421	0.350	147	110.8907	0.533	6191	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Au)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Au<2>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Au)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3270	0.316	4	110.3270	0.100	4	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]B)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]B)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.3660	0.700	4	109.3660	0.490	4	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Ir)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ir<6>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Ir)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.2988	0.367	30	110.2988	0.135	30	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Mo)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Mo<6>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Mo)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5013	0.035	3	110.5013	0.001	3	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8440	0.000	1	110.3045	0.263	6	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	109.6635	0.028	2	110.3045	0.263	6	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5520	0.090	3	110.3045	0.263	6	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Pd)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pd<4>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Pd)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3323	0.104	3	110.3323	0.011	3	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.4249	0.924	11	109.8299	0.851	19	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<6>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3868	0.596	8	109.8299	0.851	19	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Re)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Re<6>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Re)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.2964	0.310	7	110.2964	0.096	7	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Ru)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Ru)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.2995	0.275	4	110.2995	0.076	4	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Te)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Te<6>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Te)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3623	0.084	8	110.3623	0.007	8	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]Zn)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Zn<4>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]Zn)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.9887	0.068	3	109.9887	0.005	3	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(H)2	H(C[5]C[5]2H)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2{2|Ru<6>}	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(H)2{1|Ru<6>,2|C<4>}	H(C[5]C[5]2H)	107.0800	0.000	1	107.0800	0.000	1	110.1310	0.429	92	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I)	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2	H(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2I)	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{2|C<4>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8880	0.000	1	110.8880	0.000	1	110.8685	0.001	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8490	0.000	1	110.8490	0.000	1	110.8685	0.001	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2090	0.119	2	111.2090	0.014	2	111.2090	0.014	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|N<3>,4|H<1>}	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2{1|Cl<1>,2|C<4>,3|N<3>}	H(C[5]N[3x5]C[5]H)	109.1702	0.180	4	109.1702	0.032	4	110.4271	0.354	24	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|N<2>,2|N<3>,3|C<4>,4|H<1>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|N<2>,2|C<4>,2|N<3>}	H(C[5]N[3x5]C[5]H)	110.8102	0.088	9	110.6785	0.024	20	110.4271	0.354	24	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[5]N[3x5]C[5]H)	110.5707	0.104	11	110.6785	0.024	20	110.4271	0.354	24	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.4810	0.021	2	110.4810	0.000	2	110.4810	0.000	2	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	114.9843	3.345	4	114.9843	11.192	4	111.7802	16.594	8	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2{1|N<3>,3|C<4>}	H(C[5]N[5,5]C[5]H)	108.5763	0.391	4	108.5763	0.153	4	111.7802	16.594	8	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8577	0.397	6	110.8577	0.158	6	110.8173	0.055	16	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Mg<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7890	0.011	2	110.7890	0.000	2	110.8173	0.055	16	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7662	0.044	4	110.7662	0.002	4	110.8173	0.055	16	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8220	0.055	4	110.8220	0.003	4	110.8173	0.055	16	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{1|O<2>,4|C<3>}	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]P[5]H)	110.2486	0.690	9	110.2486	0.476	9	110.2486	0.476	9	110.8457	0.734	11961	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.7025	0.039	2	110.7025	0.002	2	110.7025	0.002	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[4,5]C[5]H)	110.0945	3.296	2	110.0945	10.862	2	110.0945	10.862	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H)	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]F)	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.6400	0.037	2	111.6400	0.001	2	111.6400	0.001	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7175	0.053	2	110.7175	0.003	2	110.7175	0.003	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6945	0.054	2	110.6945	0.003	2	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9190	0.038	2	110.9360	0.004	5	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8530	0.000	1	110.9360	0.004	5	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.9945	0.040	2	110.9360	0.004	5	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8955	0.229	14	110.8955	0.052	14	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0415	0.021	2	111.0415	0.000	2	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1180	0.031	2	111.1180	0.001	2	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3625	0.030	2	111.2110	0.012	9	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1677	0.077	7	111.2110	0.012	9	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.3760	0.011	2	111.1082	0.096	4	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.8405	0.046	2	111.1082	0.096	4	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8900	0.004	2	110.8900	0.000	2	111.0009	0.050	40	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.3730	0.016	2	110.3730	0.000	2	110.3730	0.000	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7730	0.327	2	111.1128	0.190	4	111.1128	0.190	4	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.4525	0.019	2	111.1128	0.190	4	111.1128	0.190	4	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1793	0.026	3	111.1793	0.001	3	110.9789	0.016	21	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H){1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7895	0.053	2	110.7895	0.003	2	110.9789	0.016	21	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]H)	110.9860	0.025	2	111.0302	0.003	4	110.9789	0.016	21	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0745	0.015	2	111.0302	0.003	4	110.9789	0.016	21	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9432	0.086	12	110.9432	0.007	12	110.9789	0.016	21	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4412	0.073	8	110.4728	0.008	12	110.4728	0.008	12	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4575	0.046	2	110.4728	0.008	12	110.4728	0.008	12	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6140	0.010	2	110.4728	0.008	12	110.4728	0.008	12	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0670	0.652	2	111.2048	0.122	6	111.1111	0.074	14	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2737	0.209	4	111.2048	0.122	6	111.1111	0.074	14	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8655	0.033	4	110.8655	0.001	4	111.1111	0.074	14	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2160	0.042	4	111.2160	0.002	4	111.1111	0.074	14	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3905	0.153	4	111.3905	0.023	4	111.3121	0.024	7	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1560	0.037	2	111.1560	0.001	2	111.3121	0.024	7	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3110	0.000	1	111.3110	0.000	1	111.3121	0.024	7	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2Br)	108.1280	0.000	1	109.0513	0.419	4	109.0513	0.419	4	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2Br)	109.3980	0.335	2	109.0513	0.419	4	109.0513	0.419	4	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2Br)	109.2810	0.000	1	109.0513	0.419	4	109.0513	0.419	4	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2Br)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]2Br)	111.7990	0.000	1	111.7990	0.000	1	111.7990	0.000	1	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H)	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5]2Br)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2Br)	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	H(C[5]C[5]2F)	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){3|C<4>}	H(C[5]C[5]2H)	110.9085	0.014	4	110.9085	0.000	4	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){3|C<4>}	H(C[5]C[5]2H)	110.1170	0.011	2	110.1170	0.000	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3170	0.018	2	110.3170	0.000	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1985	2.359	4	111.1985	5.565	4	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<2>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){1|C<2>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	110.5190	0.000	1	110.5190	0.000	1	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9745	0.029	2	110.9745	0.001	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){4|H<1>}	H(C[5]C[5]2H)	111.1970	0.000	1	111.1970	0.000	1	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5085	0.006	2	110.5085	0.000	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6415	0.013	2	110.6415	0.000	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1700	0.010	2	111.1700	0.000	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2705	0.057	2	110.2705	0.003	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.8420	0.034	5	110.8420	0.001	5	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9985	0.201	8	110.9985	0.040	8	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){3|H<1>}	H(C[5]C[5]2H)	110.8220	0.030	2	110.8220	0.001	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1215	0.006	2	111.1215	0.000	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|C<4>}	H(C[5]C[5]2H)	110.9960	0.037	3	110.9960	0.001	3	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8270	0.024	2	110.8270	0.001	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0795	2.087	2	111.0795	4.354	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|H<1>}	H(C[5]C[5]2H)	111.1723	0.235	4	111.1723	0.055	4	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H){2|H<1>}	H(C[5]C[5]2H)	111.4450	0.027	2	111.4450	0.001	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.7285	0.042	2	110.7285	0.002	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6975	0.029	2	110.6975	0.001	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|N<3>,2|H<1>}	H(C[5]C[5]2H)	108.9990	1.937	2	108.9990	3.754	2	110.8243	0.634	60	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:F-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0420	0.130	2	111.0420	0.017	2	111.0420	0.017	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6380	0.007	2	110.6380	0.000	2	110.9245	0.080	6	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9700	0.143	3	110.9700	0.021	3	110.9245	0.080	6	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(H){2|H<1>}	H(C[5]C[5]2H)	111.3610	0.000	1	111.3610	0.000	1	110.9245	0.080	6	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:Se-2:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(SeC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(SeC[6a])(H){1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.9897	0.018	3	110.9897	0.000	3	110.9897	0.000	3	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1600	0.000	1	111.1600	0.000	1	111.0050	0.179	5	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5520	0.008	2	110.9663	0.229	4	111.0050	0.179	5	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){4|H<1>}	H(C[5]C[5]2H)	111.3805	0.022	2	110.9663	0.229	4	111.0050	0.179	5	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.0065	2.661	4	109.3814	6.524	8	109.3814	6.524	8	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	H(C[5]C[5]2H)	108.6630	3.574	2	109.3814	6.524	8	109.3814	6.524	8	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	108.8495	2.914	2	109.3814	6.524	8	109.3814	6.524	8	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7420	0.020	2	110.7420	0.000	2	110.6763	1.153	19	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	H(C[5]C[5]2H)	110.3096	1.392	10	110.3096	1.939	10	110.6763	1.153	19	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1085	0.018	2	111.2317	0.011	6	110.6763	1.153	19	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){4|H<1>}	H(C[5]C[5]2H)	111.2933	0.062	4	111.2317	0.011	6	110.6763	1.153	19	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8790	0.000	1	110.8790	0.000	1	110.6763	1.153	19	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.9625	0.022	2	110.9625	0.000	2	111.1565	0.615	30	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]2H)	111.3192	0.042	8	111.3192	0.002	8	111.1565	0.615	30	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	112.8550	0.231	2	111.1108	0.920	20	111.1565	0.615	30	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2043	0.062	6	111.1108	0.920	20	111.1565	0.615	30	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8662	0.588	6	111.1108	0.920	20	111.1565	0.615	30	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.2043	1.335	4	111.1108	0.920	20	111.1565	0.615	30	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.6335	0.005	2	111.1108	0.920	20	111.1565	0.615	30	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H){1|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.3520	0.003	4	110.3520	0.000	4	110.3520	0.000	4	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	111.0438	2.181	16	111.0438	4.758	16	111.0438	4.758	16	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H){2|C<4>}	H(C[5]N[5,6]C[5]H)	111.0485	0.008	2	111.0485	0.000	2	111.0485	0.000	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	H(C[5]Si[5]C[5]H)	110.3360	0.017	2	110.3360	0.000	2	110.3360	0.000	2	110.8459	0.970	273	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.6985	0.023	2	110.6985	0.001	2	110.6985	0.001	2	110.6985	0.001	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	110.7750	0.048	2	110.7750	0.002	2	110.7750	0.002	2	110.6679	2.281	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5720	1.749	12	110.5720	3.058	12	110.5720	3.058	12	110.6679	2.281	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:3:	4:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1360	0.035	2	111.1360	0.001	2	111.1360	0.001	2	110.6679	2.281	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:C-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(CCHH){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.5565	1.341	2	111.5565	1.799	2	111.5565	1.799	2	111.5565	1.799	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	109.1450	1.165	2	109.1450	1.358	2	109.1450	1.358	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.8655	0.009	2	110.8655	0.000	2	110.8655	0.000	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.9155	0.029	2	110.9155	0.001	2	110.9155	0.001	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H){1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	109.9975	0.598	2	109.9975	0.357	2	110.2004	0.127	5	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.2980	0.062	2	110.2980	0.004	2	110.2004	0.127	5	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4110	0.000	1	110.4110	0.000	1	110.2004	0.127	5	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(COO)(H){1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2{2|C<3>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0665	0.042	6	111.0665	0.002	6	111.0665	0.002	6	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1960	0.018	2	111.1960	0.000	2	111.1960	0.000	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.3695	0.972	4	110.3695	0.945	4	110.3695	0.945	4	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4121	0.106	9	110.4121	0.011	9	110.3832	0.130	19	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1810	0.017	2	111.1810	0.000	2	110.3832	0.130	19	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<4>,6|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	109.9045	0.115	4	109.9045	0.013	4	110.3832	0.130	19	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2{2|C<4>,2|H<1>,2|S<4>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.3978	0.072	4	110.3978	0.005	4	110.3832	0.130	19	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.4530	0.000	1	110.4530	0.000	1	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.1390	1.888	2	110.3110	4.123	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.4830	2.947	2	110.3110	4.123	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8470	0.000	1	110.8470	0.000	1	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5,5]C[5]H)	110.8260	0.058	4	110.8260	0.003	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.0152	0.039	4	111.0152	0.002	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.3105	0.011	2	111.3105	0.000	2	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.5750	0.006	2	110.5750	0.000	2	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.5983	2.508	4	110.5983	6.290	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7705	0.039	2	110.7705	0.002	2	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9770	0.174	4	110.9770	0.030	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.6110	0.047	2	110.9948	0.099	6	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	111.1868	0.130	4	110.9948	0.099	6	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	110.1487	0.060	3	110.1487	0.004	3	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.5230	0.000	1	110.5230	0.000	1	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.8590	0.038	2	110.8590	0.001	2	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.3650	0.033	2	110.4278	0.006	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.4905	0.015	2	110.4278	0.006	4	110.7248	0.836	44	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9450	0.041	4	110.9450	0.002	4	110.9450	0.002	4	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]I)	107.0770	0.000	1	107.0770	0.000	1	107.4675	0.305	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]I)	107.8580	0.000	1	107.8580	0.000	1	107.4675	0.305	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]I)	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5295	0.072	4	110.5295	0.005	4	110.4567	0.018	6	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.3110	0.103	2	110.3110	0.011	2	110.4567	0.018	6	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H){3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3475	0.023	2	110.3475	0.001	2	110.3475	0.001	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1265	0.018	2	110.1265	0.000	2	110.3148	0.048	4	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5030	0.035	2	110.5030	0.001	2	110.3148	0.048	4	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H){2|C<4>,2|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.4257	0.108	4	110.4257	0.012	4	110.5085	0.023	6	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.6740	0.011	2	110.6740	0.000	2	110.5085	0.023	6	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5825	0.037	2	110.5825	0.001	2	110.9388	0.082	11	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7557	0.056	4	110.9633	0.069	7	110.9388	0.082	11	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2400	0.045	3	110.9633	0.069	7	110.9388	0.082	11	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2095	0.016	2	111.2095	0.000	2	110.9388	0.082	11	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2705	0.011	2	111.0628	0.013	16	111.0597	0.056	26	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0199	0.077	13	111.0628	0.013	16	111.0597	0.056	26	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2050	0.000	1	111.0628	0.013	16	111.0597	0.056	26	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.4373	0.026	4	111.2718	0.066	6	111.0597	0.056	26	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9410	0.014	2	111.2718	0.066	6	111.0597	0.056	26	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9220	0.024	2	110.9220	0.001	2	111.0597	0.056	26	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.5365	0.029	2	110.5365	0.001	2	111.0597	0.056	26	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2Br)	110.9040	0.000	1	110.9040	0.000	1	110.5305	0.279	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H){1|S<4>,2|C<3>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2Br)	110.1570	0.000	1	110.1570	0.000	1	110.5305	0.279	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2Br)	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|F<1>,3|H<1>}	H(C[5]C[5]2F)	112.0567	0.354	4	112.0567	0.125	4	111.7428	0.922	8	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2F)	109.4740	0.000	1	109.4740	0.000	1	111.7428	0.922	8	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2F)	112.0803	0.310	3	112.0803	0.096	3	111.7428	0.922	8	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:B[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3500	2.083	2	110.3500	4.339	2	110.3500	4.339	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:F-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F)	H(C[5]C[5]2H)	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F){3|H<1>}	H(C[5]C[5]2H)	108.4175	3.553	2	108.4175	12.625	2	108.4175	12.625	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6315	0.060	4	110.6315	0.004	4	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3898	0.101	4	110.3898	0.010	4	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(H){1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5075	0.050	2	110.5075	0.003	2	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	108.3535	4.205	2	108.3535	17.683	2	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(H){4|H<1>}	H(C[5]C[5]2H)	110.8813	0.049	3	110.8813	0.002	3	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0127	0.127	3	111.0127	0.016	3	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){2|H<1>,2|S<4>}	H(C[5]C[5]2H)	110.5190	0.013	2	110.5190	0.000	2	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8210	0.004	2	110.8210	0.000	2	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4060	0.055	4	110.4060	0.003	4	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H){1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1100	0.007	2	111.1100	0.000	2	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CN[5a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CN[5a]O)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0935	0.049	2	111.0935	0.002	2	110.5400	1.034	30	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7707	0.041	6	110.7707	0.002	6	110.7707	0.002	6	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8530	0.069	2	110.8530	0.005	2	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	108.7450	0.045	2	108.7450	0.002	2	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H){3|H<1>}	H(C[5]C[5]2H)	110.8965	0.032	2	110.8965	0.001	2	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0280	0.058	2	111.0280	0.003	2	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H){2|C<4>}	H(C[5]C[5]2H)	111.0637	0.039	4	111.0637	0.002	4	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(NC[6a]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(NC[6a]H)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.4220	0.027	2	111.4220	0.001	2	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(NCH)(H){2|H<1>}	H(C[5]C[5]2H)	111.1413	0.325	3	111.1413	0.105	3	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHS)(H){2|H<1>}	H(C[5]C[5]2H)	114.1015	1.686	2	114.1015	2.844	2	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]S[5]O)(NCH)(H){2|H<1>}	H(C[5]C[5]2H)	110.5510	0.169	4	110.5510	0.029	4	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(NHN)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0870	0.021	2	111.0870	0.000	2	111.0460	1.410	25	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5]2H)	111.2070	0.006	2	111.2070	0.000	2	110.8200	0.151	10	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.9528	0.219	5	110.9528	0.048	5	110.8200	0.151	10	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	110.4610	0.018	2	110.4610	0.000	2	110.8200	0.151	10	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]O)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]S[5]O)(N[5]C[5]2)(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.1000	0.000	1	110.1000	0.000	1	110.8200	0.151	10	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|H<1>,1|O<1>,1|S<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(SFe2)(H){1|S<3>,3|H<1>}	H(C[5]C[5]2H)	110.5493	0.025	3	110.5493	0.001	3	110.5493	0.001	3	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.4340	0.700	2	110.8056	0.158	7	110.8056	0.158	7	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	H(C[5]C[5]2H)	110.9542	0.132	5	110.8056	0.158	7	110.8056	0.158	7	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:B-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H){4|H<1>}	H(C[5]C[5]2H)	112.7615	3.299	2	112.7615	10.881	2	112.7615	10.881	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.1185	0.023	2	110.1185	0.001	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9370	0.006	2	111.0173	0.037	7	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0494	0.225	5	111.0173	0.037	7	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CCC)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6030	0.016	2	110.6030	0.000	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]C)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6680	0.000	1	110.6680	0.000	1	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]N)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.5770	0.140	4	110.5770	0.020	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]2H)	110.7015	0.005	2	110.8272	0.021	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9530	0.013	2	110.8272	0.021	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	111.0072	0.114	4	111.0028	0.040	10	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8708	0.203	4	111.0028	0.040	10	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2580	0.016	2	111.0028	0.040	10	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9075	0.011	2	110.9075	0.000	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7925	0.023	2	110.7548	0.002	6	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7360	0.044	4	110.7548	0.002	6	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0438	0.048	4	111.0438	0.002	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.7840	0.000	1	110.7840	0.000	1	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.8560	0.007	2	110.8560	0.000	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8094	0.375	8	110.7143	0.287	10	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3340	1.113	2	110.7143	0.287	10	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8910	0.181	2	110.8910	0.033	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8455	0.077	4	110.8455	0.006	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.6765	0.060	2	110.9370	0.594	378	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9362	0.815	334	110.9370	0.594	378	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9202	0.137	6	110.9370	0.594	378	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9061	0.224	36	110.9370	0.594	378	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H){4|H<1>}	H(C[5]C[5]2H)	110.1968	2.417	8	110.1968	5.842	8	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H){4|H<1>}	H(C[5]C[5]2H)	110.8253	0.762	31	110.8253	0.581	31	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<2>,3|H<1>}	H(C[5]C[5]2H)	110.8020	0.000	1	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0395	0.025	2	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8547	0.742	15	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	H(C[5]C[5]2H)	109.9720	0.584	2	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.9735	0.019	2	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5805	0.403	4	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	111.2254	1.974	84	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.1053	1.216	10	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8546	0.322	5	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9187	0.296	9	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1615	0.015	2	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9110	0.008	2	111.0188	2.643	138	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.3410	0.006	2	110.9625	0.191	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Co)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.5840	0.024	2	110.9625	0.191	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.1646	1.299	5	110.7456	0.618	17	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9877	0.261	12	110.7456	0.618	17	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[6]O)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8590	0.082	4	110.8590	0.007	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7925	0.019	2	110.8761	0.051	93	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8692	0.223	89	110.8761	0.051	93	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	111.2640	0.030	2	110.8761	0.051	93	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6060	0.000	1	110.6060	0.000	1	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.6095	1.660	2	111.6095	2.754	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H){4|H<1>}	H(C[5]C[5]2H)	110.6390	0.000	1	110.6390	0.000	1	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8830	0.409	4	110.8238	0.141	8	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0035	0.025	2	110.8238	0.141	8	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){4|H<1>}	H(C[5]C[5]2H)	110.5255	0.476	2	110.8238	0.141	8	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0190	0.225	28	111.0190	0.050	28	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H){4|H<1>}	H(C[5]C[5]2H)	111.0772	0.110	9	111.0772	0.012	9	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9944	0.123	5	110.9944	0.015	5	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.9905	0.039	2	110.2048	0.726	6	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	H(C[5]C[5]2H)	109.8120	0.769	4	110.2048	0.726	6	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<4>,1|O<1>}	H(C[5]C[5]2H)	109.2160	4.401	2	109.2160	19.369	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.7710	2.421	2	109.7710	5.862	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9849	0.331	28	110.9849	0.110	28	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1059	0.898	62	111.0871	0.722	70	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.9420	0.236	8	111.0871	0.722	70	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.5185	0.004	4	110.5185	0.000	4	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H){3|C<3>}	H(C[5]C[5]2H)	110.9915	1.647	2	110.9915	2.712	2	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]C)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(CNO)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.0057	0.067	3	111.0057	0.004	3	110.9257	0.861	905	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.9633	0.100	4	110.9633	0.010	4	110.6697	0.200	8	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.3762	0.476	4	110.3762	0.226	4	110.6697	0.200	8	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	H(C[5]C[5]2H)	110.7463	0.091	4	110.7463	0.008	4	110.7463	0.008	4	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5]OO)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]C[5]OO)(H)2{1|Br<1>,1|C<4>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H){1|Br<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.3990	0.027	2	110.3990	0.001	2	110.3990	0.001	2	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H){2|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	110.7253	0.200	4	110.7253	0.040	4	110.7253	0.040	4	110.8763	0.868	1172	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2{1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH){4|C<3>}	H(C[5]C[5,5]C[5]H)	110.7655	0.032	2	110.7655	0.001	2	110.7655	0.001	2	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2022	0.082	4	111.2022	0.007	4	111.2022	0.007	4	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2653	0.054	4	111.2653	0.003	4	111.2653	0.003	4	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6])	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2{1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6]){3|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4573	1.919	4	110.4573	3.681	4	110.4573	3.681	4	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.5225	0.030	2	110.5225	0.001	2	110.5693	0.007	3	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN){3|H<1>}	H(C[5]C[5]2H)	110.6630	0.000	1	110.6630	0.000	1	110.5693	0.007	3	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<2>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.4850	0.023	2	110.4850	0.001	2	110.9070	0.238	4	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.3290	0.008	2	111.3290	0.000	2	110.9070	0.238	4	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]O)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]O)(OH){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2335	0.016	2	110.2335	0.000	2	110.4463	0.056	6	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.5528	0.221	4	110.5528	0.049	4	110.4463	0.056	6	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:N-3:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.4115	0.016	2	110.4115	0.000	2	110.4115	0.000	2	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:2:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5])	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	109.4610	0.053	6	109.4610	0.003	6	109.4610	0.003	6	110.5381	0.697	35	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	110.9215	0.013	2	110.9215	0.000	2	110.9215	0.000	2	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3020	0.017	2	110.3020	0.000	2	110.3020	0.000	2	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	109.7255	1.606	8	109.7255	2.579	8	109.7255	2.579	8	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.6260	0.040	2	110.6220	0.018	6	110.6255	0.013	8	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.4735	0.029	2	110.6220	0.018	6	110.6255	0.013	8	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.7665	0.039	2	110.6220	0.018	6	110.6255	0.013	8	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6360	0.008	2	110.6360	0.000	2	110.6255	0.013	8	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO){3|H<1>}	H(C[5]C[5]2H)	110.5950	0.000	1	110.5950	0.000	1	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]O)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]O)(COO){4|H<1>}	H(C[5]C[5]2H)	110.9705	0.008	2	110.9705	0.000	2	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9885	0.009	2	110.9120	0.062	7	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	111.0290	0.000	1	110.9120	0.062	7	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{4|H<1>}	H(C[5]C[5]2H)	111.1310	0.008	2	110.9120	0.062	7	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{3|H<1>}	H(C[5]C[5]2H)	110.5580	0.023	2	110.9120	0.062	7	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO){4|H<1>}	H(C[5]C[5]2H)	113.5440	3.502	2	113.5440	12.261	2	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO){4|H<1>}	H(C[5]C[5]2H)	110.9200	0.095	4	110.9200	0.009	4	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3425	0.042	2	110.3425	0.002	2	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<2>,1|N<3>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.5714	0.012	5	110.5714	0.000	5	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.1547	0.013	3	111.1547	0.000	3	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{4|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9315	0.005	2	110.9315	0.000	2	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7799	0.132	9	110.7799	0.017	9	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]C)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(C[5]S[5]C)(COO)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.2050	0.024	4	110.2050	0.001	4	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]N)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]S[5]N)(COO)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.4870	0.000	1	110.4870	0.000	1	110.8782	0.743	42	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN){4|H<1>}	H(C[5]C[5]2H)	110.8150	0.007	2	110.8150	0.000	2	110.8150	0.000	2	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)(COO){1|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.9700	0.055	2	110.9700	0.003	2	110.9700	0.003	2	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.3635	0.037	2	110.3635	0.001	2	110.9858	0.775	17	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7153	0.412	3	110.7153	0.170	3	110.9858	0.775	17	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){4|H<1>}	H(C[5]C[5]2H)	110.8390	0.016	2	110.9192	0.007	6	110.9858	0.775	17	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9592	0.075	4	110.9192	0.007	6	110.9858	0.775	17	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0588	0.225	4	111.0588	0.050	4	110.9858	0.775	17	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCO)(COO)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCO)(COO){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	112.0680	2.912	2	112.0680	8.479	2	110.9858	0.775	17	110.7526	0.875	83	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2{1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.1675	0.018	2	111.1675	0.000	2	111.1675	0.000	2	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7365	0.035	2	110.7365	0.001	2	110.5698	0.035	6	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3){1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3350	0.017	2	110.3350	0.000	2	110.5698	0.035	6	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH){1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.6380	0.004	2	110.6380	0.000	2	110.5698	0.035	6	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	112.1715	0.008	2	112.1715	0.000	2	112.1715	0.000	2	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6557	0.052	4	110.6557	0.003	4	110.6557	0.003	4	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,8|C<3>}	H(C[5]C[5]2H)	109.2610	0.000	1	109.2610	0.000	1	109.2610	0.000	1	110.7677	0.481	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H){2|Br<1>,1|H<1>,1|N<3>}	H(C[5]B[5]C[5]H)	110.8715	0.028	2	110.8715	0.001	2	110.8715	0.001	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<1>,8|C<3>}	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<1>,2|H<1>,8|C<3>}	H(C[5]B[5]C[5]H)	110.0585	0.008	2	110.0343	0.001	4	110.2065	0.072	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<2>,8|C<3>}	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<2>,2|H<1>,8|C<3>}	H(C[5]B[5]C[5]H)	110.0100	0.041	2	110.0343	0.001	4	110.2065	0.072	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2{8|C<3>}	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){2|H<1>,8|C<3>}	H(C[5]B[5]C[5]H)	110.5510	0.007	2	110.5510	0.000	2	110.2065	0.072	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H){1|H<1>,2|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.1080	0.008	2	110.1080	0.000	2	110.1080	0.000	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.2933	0.207	4	110.2933	0.043	4	110.2933	0.043	4	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.1015	0.028	2	110.1015	0.001	2	110.1015	0.001	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H){2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5130	0.000	1	110.5130	0.000	1	110.8656	0.141	13	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.0640	0.045	2	111.0640	0.002	2	110.8656	0.141	13	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.2160	0.048	2	111.2160	0.002	2	110.8656	0.141	13	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.8202	0.144	6	110.8202	0.021	6	110.8656	0.141	13	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6295	1.003	2	110.6295	1.007	2	110.8656	0.141	13	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.0995	0.005	2	111.0995	0.000	2	110.7993	0.121	4	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.4990	0.030	2	110.4990	0.001	2	110.7993	0.121	4	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H){2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7455	0.016	2	110.7455	0.000	2	110.9110	1.774	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.8335	2.947	2	110.8335	8.682	2	110.9110	1.774	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	111.1540	0.048	2	111.1540	0.002	2	110.9110	1.774	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8660	0.034	2	110.8660	0.001	2	110.8660	0.001	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.3415	0.077	2	111.3415	0.006	2	111.4250	5.191	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3688	0.133	4	111.3688	0.018	4	111.4250	5.191	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2562	0.816	5	111.2562	0.665	5	111.4250	5.191	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.3910	0.129	2	111.3910	0.017	2	111.4250	5.191	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.5880	3.793	8	111.5880	14.385	8	111.4250	5.191	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4813	1.671	6	110.4813	2.791	6	110.5983	1.776	9	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8323	0.043	3	110.8323	0.002	3	110.5983	1.776	9	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8443	0.383	4	110.8443	0.147	4	110.7075	0.096	8	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7040	0.092	2	110.7040	0.008	2	110.7075	0.096	8	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4375	0.008	2	110.4375	0.000	2	110.7075	0.096	8	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2Br)	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2{1|N<2>,1|S<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	H(C[5]C[5]2H)	111.1790	0.017	2	111.1790	0.000	2	111.1790	0.000	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.1243	0.025	4	111.1243	0.001	4	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.1035	0.016	2	111.1035	0.000	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	111.2440	0.022	4	111.2440	0.000	4	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	111.5015	0.016	2	111.5015	0.000	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2{2|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.9810	0.027	2	110.9810	0.001	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5]2H)	110.6585	0.059	2	110.6585	0.003	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.9020	3.772	2	111.9020	14.226	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2{5|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.2280	5.084	2	111.2280	25.848	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2{1|O<2>,3|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.3205	0.019	2	111.3205	0.000	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2{1|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>,4|O<2>}	H(C[5]C[5]2H)	111.4015	0.022	2	111.4015	0.000	2	111.2361	1.829	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6075	0.052	2	110.6075	0.003	2	110.6075	0.003	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.6043	0.269	4	110.6043	0.072	4	110.6043	0.072	4	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3072	0.113	5	110.3072	0.013	5	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.5320	0.028	2	110.4467	0.435	11	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5]2H)	109.9725	1.617	2	110.4467	0.435	11	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]2H)	110.1087	0.168	3	110.4467	0.435	11	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.8948	0.153	4	110.4467	0.435	11	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.4472	0.040	4	110.4472	0.002	4	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.1780	0.099	2	110.1780	0.010	2	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	111.6690	0.526	2	111.6690	0.277	2	110.4972	0.342	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H){2|H<1>}	H(C[5]C[5]2H)	112.6705	5.236	2	112.6705	27.417	2	112.6705	27.417	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7510	0.020	2	110.7510	0.000	2	110.8750	0.019	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0425	0.033	2	111.0425	0.001	2	110.8750	0.019	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8315	0.032	2	110.8315	0.001	2	110.8750	0.019	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.7850	3.446	2	111.7850	11.878	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7780	0.025	2	110.7780	0.001	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5510	0.033	2	110.5510	0.001	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4415	0.008	2	110.4415	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5905	0.006	2	110.5905	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7405	0.088	2	110.7405	0.008	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6275	0.060	12	110.6016	0.007	14	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){3|H<1>}	H(C[5]C[5]2H)	110.4460	0.007	2	110.6016	0.007	14	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5770	0.008	2	110.6877	0.041	12	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	H(C[5]C[5]2H)	110.4790	0.048	2	110.6877	0.041	12	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.9475	0.063	4	110.6877	0.041	12	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	H(C[5]C[5]2H)	110.5875	0.082	4	110.6877	0.041	12	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	H(C[5]C[5]2H)	110.5913	0.023	4	110.5913	0.001	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5850	0.034	2	110.6492	0.007	5	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	110.6920	0.078	3	110.6492	0.007	5	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7625	0.012	2	110.7625	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H){3|H<1>}	H(C[5]C[5]2H)	110.6230	0.006	2	110.6230	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H){3|H<1>}	H(C[5]C[5]2H)	110.5080	0.000	1	110.5080	0.000	1	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4105	0.332	2	110.4105	0.110	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7955	0.005	2	110.7955	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8045	0.163	4	110.8045	0.027	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9005	0.057	6	110.8674	0.032	11	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8276	0.271	5	110.8674	0.032	11	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.0890	3.199	2	109.0890	10.233	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8220	0.108	4	110.8220	0.012	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0320	0.014	2	111.0320	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8208	0.037	4	110.8208	0.001	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H){3|C<3>}	H(C[5]C[5]2H)	110.4200	0.020	2	110.4200	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7401	0.027	8	110.7401	0.001	8	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.1068	0.041	4	111.1068	0.002	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6680	1.392	2	110.6680	1.937	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>}	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6955	0.025	2	110.6955	0.001	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H){2|C<4>}	H(C[5]C[5]2H)	110.6930	0.000	1	110.6930	0.000	1	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(C[5]C[5]2H)	110.7250	0.041	2	110.7250	0.002	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0700	0.129	2	111.0700	0.017	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.5315	2.531	2	111.5315	6.405	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1176	0.103	9	111.1176	0.011	9	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	H(C[5]C[5]2H)	111.2140	0.065	4	111.2140	0.004	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H){2|H<1>}	H(C[5]C[5]2H)	111.4590	0.020	2	111.4590	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H){2|H<1>}	H(C[5]C[5]2H)	111.4838	2.601	4	111.4838	6.767	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	H(C[5]C[5]2H)	111.2355	0.019	2	111.3760	0.026	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	H(C[5]C[5]2H)	111.5165	0.012	2	111.3760	0.026	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H){2|H<1>}	H(C[5]C[5]2H)	108.2660	4.031	2	108.2660	16.245	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8450	0.027	2	110.8450	0.001	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1385	0.011	2	111.0238	0.012	5	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9473	0.054	3	111.0238	0.012	5	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H){1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9270	0.030	3	110.9270	0.001	3	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(C[5]C[5]2H)	110.5640	1.854	2	110.5640	3.437	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.3268	0.226	8	111.3268	0.051	8	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.8440	0.007	2	110.8440	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.7025	0.011	2	110.7025	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.2987	0.062	4	111.2987	0.004	4	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1450	0.016	2	111.1450	0.000	2	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5750	0.000	1	110.5750	0.000	1	110.8346	0.652	164	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	108.9850	0.263	2	108.9850	0.069	2	110.4180	1.741	5	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|C<4>}	H(C[5]C[5]2H)	111.2830	0.018	2	111.2830	0.000	2	110.4180	1.741	5	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|H<1>}	H(C[5]C[5]2H)	111.5540	0.000	1	111.5540	0.000	1	110.4180	1.741	5	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)(H){4|H<1>}	H(C[5]C[5]2H)	111.1150	0.103	4	111.1150	0.011	4	111.1150	0.011	4	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(SNOO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7635	0.030	2	110.7635	0.001	2	110.7635	0.001	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.1565	0.015	4	111.1565	0.000	4	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.3675	0.070	2	110.3675	0.005	2	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.2385	0.011	2	110.4684	1.009	12	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4811	1.249	8	110.4684	1.009	12	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6475	0.062	2	110.4684	1.009	12	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4940	0.083	5	110.4940	0.007	5	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9265	0.053	2	110.9265	0.003	2	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.4320	0.490	4	110.4320	0.240	4	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2{6|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.0210	0.018	2	111.0210	0.000	2	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.3597	0.128	3	111.3597	0.016	3	110.6810	0.475	34	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|Br<1>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.5560	0.004	2	110.5560	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5835	0.006	2	110.5835	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5420	0.049	2	110.5420	0.002	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6835	0.238	4	110.6835	0.057	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2180	0.024	2	110.2180	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.4595	0.015	2	110.4595	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7810	0.010	2	110.7810	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3120	0.000	1	110.3120	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3490	0.007	2	110.3490	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9407	0.063	3	110.9407	0.004	3	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.0370	1.817	5	110.0370	3.303	5	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6220	0.010	2	110.6220	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9025	0.016	2	110.9025	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7230	0.044	4	110.7230	0.002	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.4975	0.006	2	110.4975	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H){2|F<1>,2|H<1>}	H(C[5]C[5]2H)	111.1650	0.147	4	111.1650	0.022	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){1|F<1>,3|H<1>}	H(C[5]C[5]2H)	110.0470	0.000	1	110.0470	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H){4|H<1>}	H(C[5]C[5]2H)	109.9385	3.487	2	109.9385	12.157	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5130	0.033	2	110.5130	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6087	0.018	3	110.7190	0.035	9	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8660	0.204	4	110.7190	0.035	9	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5905	0.026	2	110.7190	0.035	9	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H){4|H<1>}	H(C[5]C[5]2H)	110.5570	0.020	2	110.5570	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3075	0.080	2	110.6240	1.812	16	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.5550	0.000	1	110.6240	1.812	16	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8635	0.406	4	110.6240	1.812	16	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6934	0.417	5	110.6240	1.812	16	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9733	2.774	4	110.6240	1.812	16	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3790	0.040	2	110.3790	0.002	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8045	0.022	2	110.8045	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8972	0.077	4	110.8384	0.083	8	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7795	0.422	4	110.8384	0.083	8	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7195	0.073	8	110.7064	0.006	9	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){4|H<1>}	H(C[5]C[5]2H)	110.6020	0.000	1	110.7064	0.006	9	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.2140	1.192	8	110.4083	1.203	15	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.6303	1.020	7	110.4083	1.203	15	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H){4|H<1>}	H(C[5]C[5]2H)	110.4850	0.000	1	110.4850	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7170	0.021	2	110.7170	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0820	0.000	1	111.0820	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7315	0.021	2	110.6253	0.047	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5722	0.258	4	110.6253	0.047	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H){4|H<1>}	H(C[5]C[5]2H)	110.8237	0.039	4	110.8237	0.002	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.6880	0.035	2	110.6880	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8440	0.004	2	110.7212	1.033	22	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.9606	0.351	13	110.7212	1.033	22	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.6980	0.029	3	110.7212	1.033	22	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.8992	2.362	4	110.7212	1.033	22	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	111.0607	0.076	6	111.0607	0.006	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8883	0.193	3	111.0080	1.370	43	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0692	1.400	30	111.0080	1.370	43	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8604	0.170	10	111.0080	1.370	43	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H){4|H<1>}	H(C[5]C[5]2H)	111.9605	1.160	2	111.9605	1.346	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H){4|H<1>}	H(C[5]C[5]2H)	111.0588	0.129	4	111.0588	0.017	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6357	0.021	3	110.6357	0.000	3	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1190	0.088	3	111.1190	0.008	3	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1488	0.345	6	111.0131	0.101	10	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){4|H<1>}	H(C[5]C[5]2H)	110.8095	0.109	4	111.0131	0.101	10	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.4450	0.932	6	110.4797	0.625	8	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){4|H<1>}	H(C[5]C[5]2H)	110.5840	0.023	2	110.4797	0.625	8	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8080	0.034	2	110.8080	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7920	0.028	2	110.7920	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	111.1110	2.322	2	111.1110	5.392	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7652	0.140	4	110.7652	0.020	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	117.1355	10.153	2	117.1355	103.090	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6843	0.209	16	110.7534	0.048	22	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9375	0.123	6	110.7534	0.048	22	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.1220	0.000	1	110.1220	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.9425	0.036	2	110.9425	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8687	0.140	7	110.8589	0.031	13	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8475	0.226	6	110.8589	0.031	13	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H){4|H<1>}	H(C[5]C[5]2H)	110.3330	0.119	3	110.3330	0.014	3	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5623	0.009	4	110.7354	0.043	8	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0290	0.047	2	110.7354	0.043	8	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.7880	0.007	2	110.7354	0.043	8	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H){4|H<1>}	H(C[5]C[5]2H)	110.9790	0.065	2	110.9790	0.004	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H){4|H<1>}	H(C[5]C[5]2H)	111.0105	0.008	2	111.0105	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H){4|H<1>}	H(C[5]C[5]2H)	110.7895	0.060	2	110.7895	0.004	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H){4|H<1>}	H(C[5]C[5]2H)	110.9620	0.000	1	110.9620	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8085	0.023	2	110.8085	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6940	0.006	2	110.6940	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0523	0.037	3	111.0523	0.001	3	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){4|H<1>}	H(C[5]C[5]2H)	110.8025	0.035	2	110.8025	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6285	0.030	2	110.6285	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.9977	0.077	4	110.9977	0.006	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H){4|H<1>}	H(C[5]C[5]2H)	110.5770	0.000	1	110.5770	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8615	0.022	2	110.7408	0.009	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<5>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6805	0.031	4	110.7408	0.009	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|W<7>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	111.0463	0.555	4	111.0463	0.308	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.3575	0.036	2	110.3575	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.9315	0.142	2	110.7538	0.047	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8375	0.006	2	110.7538	0.047	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4925	0.016	2	110.7538	0.047	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7762	0.050	6	110.7579	0.003	10	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7695	0.030	2	110.7579	0.003	10	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6915	0.015	2	110.7579	0.003	10	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	110.8400	0.080	6	110.8400	0.006	6	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6215	0.029	2	110.6215	0.001	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.4725	0.006	2	110.4725	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5955	0.067	2	110.5955	0.005	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7515	0.008	2	110.7515	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4190	0.055	2	110.4190	0.003	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8105	0.043	2	110.8105	0.002	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2180	0.047	2	110.2180	0.002	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6215	0.207	16	110.6215	0.043	16	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6595	0.008	2	110.6595	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7285	0.019	2	110.7285	0.000	2	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.7157	0.080	4	110.7157	0.006	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2{1|C<4>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.2265	0.064	4	111.2265	0.004	4	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H){2|H<1>}	H(C[5]C[5]2H)	111.1200	0.000	1	111.1200	0.000	1	110.7867	0.968	387	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.4207	0.129	6	111.4207	0.017	6	111.0621	0.079	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.6548	0.042	4	110.8155	0.056	8	111.0621	0.079	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9763	0.247	4	110.8155	0.056	8	111.0621	0.079	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.0442	0.091	10	111.0442	0.008	10	111.0621	0.079	24	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.3730	0.478	2	111.3730	0.228	2	111.3730	0.228	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6947	0.054	4	110.6947	0.003	4	110.7442	0.008	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8430	0.038	2	110.8430	0.001	2	110.7442	0.008	6	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H){4|H<1>}	H(C[5]C[5]2H)	110.9520	0.033	2	110.9520	0.001	2	110.9520	0.001	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Al<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8993	0.192	6	110.8993	0.037	6	110.9587	0.103	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<5>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	111.0093	0.180	6	110.9130	0.055	8	110.9587	0.103	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.6240	0.044	2	110.9130	0.055	8	110.9587	0.103	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mg<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.9038	0.593	4	110.9038	0.352	4	110.9587	0.103	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mn<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	111.1525	0.016	2	111.1525	0.000	2	110.9587	0.103	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ni<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	111.5130	0.000	1	111.5130	0.000	1	110.9587	0.103	21	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2152	0.175	4	110.2152	0.030	4	110.2152	0.030	4	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H){4|H<1>}	H(C[5]C[5]2H)	110.2825	0.029	2	110.2825	0.001	2	110.2825	0.001	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.6080	0.553	2	111.6080	0.306	2	111.6080	0.306	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8287	0.285	3	110.9590	0.077	7	110.8952	0.112	15	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.0567	0.263	4	110.9590	0.077	7	110.8952	0.112	15	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5235	0.193	4	110.8394	0.151	8	110.8952	0.112	15	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.1552	0.224	4	110.8394	0.151	8	110.8952	0.112	15	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.2399	0.131	7	110.2399	0.017	7	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3731	0.311	7	110.3731	0.097	7	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.1293	0.459	30	110.0915	0.207	37	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	109.9293	0.431	7	110.0915	0.207	37	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Si<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.0740	0.000	1	110.0845	0.215	11	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.7590	0.048	2	110.0845	0.215	11	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.1672	0.518	8	110.0845	0.215	11	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|H<1>,4|C<3>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.3767	0.243	7	110.3767	0.059	7	110.1629	0.170	69	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2{2|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.8215	0.025	2	110.8215	0.001	2	110.8215	0.001	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	110.9795	0.008	2	110.9795	0.000	2	110.9795	0.000	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]N[5]CO)(H)2	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]N[5]CO)(H)2{1|O<1>}	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	110.2980	3.055	2	110.2980	9.331	2	110.2980	9.331	2	110.7703	0.898	894	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH){2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7340	0.006	2	110.7340	0.000	2	110.7340	0.000	2	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[5]2H)	107.2745	2.215	2	107.2745	4.908	2	107.2745	4.908	2	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN){4|H<1>}	H(C[5]C[5]2H)	110.8690	0.289	8	110.8690	0.084	8	110.8072	0.193	33	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN){4|H<1>}	H(C[5]C[5]2H)	110.4710	1.998	2	110.4710	3.993	2	110.8072	0.193	33	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN){4|H<1>}	H(C[5]C[5]2H)	110.8150	0.247	23	110.8150	0.061	23	110.8072	0.193	33	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH){1|C<2>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.5305	0.012	2	110.5305	0.000	2	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH){3|H<1>}	H(C[5]C[5]2H)	110.3590	0.016	2	110.3590	0.000	2	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6270	0.000	1	110.6270	0.000	1	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7974	0.105	10	110.7974	0.011	10	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	H(C[5]C[5]2H)	110.4383	0.056	3	110.4383	0.003	3	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.5540	0.254	4	110.5540	0.065	4	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9470	0.025	2	110.9470	0.001	2	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4803	0.027	6	110.4803	0.001	6	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.6475	0.043	2	110.6475	0.002	2	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5990	0.250	4	110.5990	0.062	4	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5100	0.027	2	110.5100	0.001	2	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9261	0.114	14	110.9261	0.013	14	110.6993	0.051	52	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:S-2:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(SC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(SC){2|H<1>}	H(C[5]C[5]2H)	111.0765	0.534	2	111.0765	0.285	2	111.0765	0.285	2	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.5170	0.049	2	110.5268	0.001	4	110.6086	0.034	20	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.5365	0.033	2	110.5268	0.001	4	110.6086	0.034	20	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6291	0.203	16	110.6291	0.041	16	110.6086	0.034	20	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7371	1.109	10	110.7371	1.229	10	110.7371	1.229	10	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.3760	1.242	4	110.3760	1.541	4	110.3760	1.541	4	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.2580	0.033	2	110.2580	0.001	2	110.2580	0.001	2	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:C-4:S-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]O)(CCCO)(SC)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5]O)(CCCO)(SC){4|H<1>}	H(C[5]C[5]2H)	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	110.6459	0.438	128	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO){1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.8850	3.400	2	110.8850	11.558	2	110.8850	11.558	2	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS){1|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	109.5240	0.000	1	109.5240	0.000	1	110.1920	0.336	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(H)2{1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.4847	0.091	3	110.4847	0.008	3	110.1920	0.336	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.3600	0.016	2	110.3600	0.000	2	110.1920	0.336	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	109.8950	1.438	2	109.8950	2.069	2	110.1920	0.336	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.2160	0.049	2	110.2160	0.002	2	110.1920	0.336	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,1|H<1>,1|S<2>}	H(C[5]C[5,5]C[5]H)	110.3115	2.122	2	110.3115	4.503	2	110.3115	4.503	2	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8880	0.068	2	110.8880	0.005	2	110.4752	0.053	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4235	0.041	4	110.4235	0.002	4	110.4752	0.053	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3205	0.077	4	110.3205	0.006	4	110.4752	0.053	10	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[5a]HH)(COO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[5a]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6915	0.043	2	110.6915	0.002	2	110.6915	0.002	2	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5455	0.038	4	110.5455	0.001	4	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO){4|H<1>}	H(C[5]C[5]2H)	110.6055	0.005	2	110.6055	0.000	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO){4|H<1>}	H(C[5]C[5]2H)	110.2433	0.163	12	110.2433	0.027	12	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.8470	0.051	2	110.8470	0.003	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO){4|H<1>}	H(C[5]C[5]2H)	111.0605	1.136	4	111.0605	1.290	4	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO){4|H<1>}	H(C[5]C[5]2H)	110.5390	0.000	1	110.5390	0.000	1	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.5848	0.221	23	110.5848	0.049	23	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO){4|H<1>}	H(C[5]C[5]2H)	110.8295	1.182	2	110.8295	1.396	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO){4|H<1>}	H(C[5]C[5]2H)	109.9700	0.731	4	109.9700	0.534	4	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7608	0.093	4	110.7608	0.009	4	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO){1|Cl<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8460	0.017	2	110.8460	0.000	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)(CCN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cr<6>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)(CCN){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9110	0.048	2	109.9110	0.002	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.7900	0.247	2	109.7900	0.061	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1860	1.235	2	111.1860	1.524	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.8850	1.307	2	109.8850	1.708	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(CCO){2|H<1>}	H(C[5]C[5]2H)	111.0095	0.033	2	111.0095	0.001	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(COO){2|H<1>}	H(C[5]C[5]2H)	110.6270	0.033	2	110.6270	0.001	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(CCO){2|H<1>}	H(C[5]C[5]2H)	111.1150	0.000	1	111.1150	0.000	1	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.2580	0.020	2	110.3060	0.002	6	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3300	0.027	4	110.3060	0.002	6	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.9265	0.011	2	109.9265	0.000	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.2245	0.043	2	110.2245	0.002	2	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6080	0.000	1	110.6080	0.000	1	110.4903	0.256	84	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5]2H)	110.9295	0.050	2	111.0932	0.037	4	110.8842	0.071	8	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){3|H<1>,6|C<3>}	H(C[5]C[5]2H)	111.2570	0.040	2	111.0932	0.037	4	110.8842	0.071	8	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6753	0.107	4	110.6753	0.011	4	110.8842	0.071	8	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8665	0.009	2	110.8665	0.000	2	110.8665	0.000	2	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HH)(COO){1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8365	0.029	2	110.8365	0.001	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9930	0.035	2	110.9930	0.001	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]N[5]CC)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO){1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.8400	0.016	2	110.8400	0.000	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1370	0.042	2	111.1370	0.002	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.1755	0.125	2	109.1755	0.016	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.6630	0.030	2	110.6630	0.001	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(COO){4|H<1>}	H(C[5]C[5]2H)	111.1090	0.006	2	111.1090	0.000	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCCH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCCH)(COO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	109.1305	1.247	2	109.1305	1.554	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(COO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	108.8890	0.717	2	108.8890	0.514	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.3390	1.451	2	110.6110	0.801	4	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.8830	0.020	2	110.6110	0.801	4	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(COO){3|H<1>}	H(C[5]C[5]2H)	110.6340	0.008	2	110.6340	0.000	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH){4|H<1>}	H(C[5]C[5]2H)	110.3435	0.005	2	110.3435	0.000	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	112.6805	0.617	2	112.6805	0.381	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5685	0.022	2	110.5685	0.000	2	110.5481	1.016	30	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.4040	0.021	2	110.4040	0.000	2	110.5024	0.011	28	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.3727	0.040	4	110.3727	0.002	4	110.5024	0.011	28	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.4595	0.015	2	110.4595	0.000	2	110.5024	0.011	28	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5464	0.101	16	110.5464	0.010	16	110.5024	0.011	28	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5265	0.036	4	110.5265	0.001	4	110.5024	0.011	28	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)	H(C[5]C[5]2H)	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2){6|H<1>,8|C<3>}	H(C[5]C[5]2H)	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	110.5053	0.421	179	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	109.8160	0.011	2	109.8160	0.000	2	109.8160	0.000	2	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]Cu)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2{1|Cu<2>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]Cu)(CH3)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.8012	0.047	4	110.8012	0.002	4	110.8012	0.002	4	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2{1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.0060	0.000	1	110.0060	0.000	1	110.3372	0.216	5	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8460	0.041	2	110.8460	0.002	2	110.3372	0.216	5	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.9940	0.008	2	109.9940	0.000	2	110.3372	0.216	5	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	109.8655	1.244	2	109.8655	1.547	2	109.8655	1.547	2	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.4310	0.034	2	110.4310	0.001	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6025	0.144	4	110.6025	0.021	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6290	0.011	2	110.6290	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	H(C[5]C[5]2H)	110.2135	0.028	2	110.4215	0.058	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6295	0.029	2	110.4215	0.058	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2{4|H<1>}	H(C[5]C[5]2H)	110.7472	0.159	6	110.7472	0.025	6	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6890	0.017	2	110.5983	0.013	6	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5530	0.114	4	110.5983	0.013	6	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5315	0.009	2	110.5315	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3190	0.011	2	110.3190	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	H(C[5]C[5]2H)	110.4790	0.051	2	110.4790	0.003	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2{3|H<1>}	H(C[5]C[5]2H)	110.4248	0.045	4	110.4248	0.002	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	H(C[5]C[5]2H)	108.9930	1.322	2	108.9930	1.748	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.0650	0.027	2	110.0650	0.001	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2643	0.100	4	110.3473	0.010	10	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4027	0.060	6	110.3473	0.010	10	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|As<2>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2197	1.339	6	110.2197	1.792	6	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.3468	1.919	4	109.6799	1.990	8	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0130	0.815	4	109.6799	1.990	8	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<2>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3115	0.005	2	110.2816	0.010	70	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2697	0.100	57	110.2816	0.010	70	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3377	0.103	11	110.2816	0.010	70	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1220	0.000	1	110.1220	0.000	1	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3255	0.029	4	110.3142	0.002	9	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Be<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3052	0.064	5	110.3142	0.002	9	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9873	0.175	11	110.0163	0.021	18	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0620	0.066	7	110.0163	0.021	18	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1860	0.010	2	110.1860	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Co<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4617	0.027	3	110.3804	0.006	7	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Co<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3195	0.005	4	110.3804	0.006	7	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cr<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4270	0.014	2	110.4270	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cu<2>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1465	0.067	2	110.1868	0.004	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cu<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2270	0.023	2	110.1868	0.004	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4032	0.057	11	110.2870	0.047	26	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1758	0.262	13	110.2870	0.047	26	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<5>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3710	0.008	2	110.2870	0.047	26	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2187	0.092	3	110.2187	0.009	3	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ge<2>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2615	0.052	2	110.2777	0.004	6	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ge<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2858	0.077	4	110.2777	0.004	6	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9595	0.303	6	110.0904	0.055	13	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	H(C[5]C[5]2H)	110.2026	0.039	7	110.0904	0.055	13	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ir<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3255	0.005	2	110.3825	0.005	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ir<6>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4395	0.035	2	110.3825	0.005	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2475	0.028	2	110.2475	0.001	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|P<2>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2727	0.131	7	110.2272	0.019	18	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2549	0.053	9	110.2272	0.019	18	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|O<1>,1|P<3>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	109.9430	0.082	2	110.2272	0.019	18	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ru<5>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1159	0.417	10	110.1159	0.174	10	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	109.4595	0.030	2	109.4595	0.001	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Se<1>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9285	0.035	2	109.9285	0.001	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Se<1>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0100	0.051	2	110.0100	0.003	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2811	0.115	12	110.2843	0.006	31	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2864	0.051	19	110.2843	0.006	31	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Sn)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Sn<3>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Sn)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2250	0.017	2	110.2250	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ti<4>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3295	0.093	2	110.3323	0.003	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ti<5>,1|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3350	0.024	2	110.3323	0.003	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.2360	0.037	2	110.2360	0.001	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.6085	0.188	4	110.6085	0.035	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8195	0.177	2	110.8195	0.032	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8160	0.030	4	110.8160	0.001	4	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5390	0.000	1	110.5390	0.000	1	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|N<2>}	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9395	0.019	2	110.9395	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3910	0.052	2	110.3910	0.003	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.6365	0.028	2	110.6365	0.001	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6180	0.014	2	110.6180	0.000	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1940	0.041	2	111.1940	0.002	2	110.2790	0.153	323	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3){4|H<1>}	H(C[5]C[5]2H)	109.9545	0.078	2	109.9545	0.006	2	110.0197	0.124	6	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3){4|H<1>}	H(C[5]C[5]2H)	110.0135	0.385	2	110.0135	0.149	2	110.0197	0.124	6	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3){4|H<1>}	H(C[5]C[5]2H)	110.0910	0.669	2	110.0910	0.447	2	110.0197	0.124	6	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){4|H<1>,5|C<3>}	H(C[5]C[5]2H)	109.8080	1.003	6	109.8080	1.005	6	109.8080	1.005	6	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8498	0.069	4	110.8498	0.005	4	110.8498	0.005	4	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.1830	0.098	7	110.1411	0.010	36	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1121	0.107	21	110.1411	0.010	36	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.1360	0.062	2	110.1411	0.010	36	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.1835	0.020	4	110.1411	0.010	36	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.2200	0.006	2	110.1411	0.010	36	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|O<1>,1|P<3>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|P<3>,2|C<4>}	H(C[5]C[5]2H)	109.9395	0.045	2	109.7677	0.090	3	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|S<4>,2|C<4>}	H(C[5]C[5]2H)	109.4240	0.000	1	109.7677	0.090	3	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.9016	0.350	8	110.8062	0.136	10	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4245	0.019	2	110.8062	0.136	10	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO){1|C<2>,3|H<1>}	H(C[5]C[5]2H)	110.5395	0.019	2	110.5395	0.000	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.4295	1.559	2	109.4295	2.431	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Cu<2>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CH3)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.1165	0.026	2	111.1165	0.001	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5695	4.002	2	110.5695	16.012	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.3729	0.269	7	110.3729	0.072	7	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	109.6820	1.459	2	109.6820	2.130	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8225	0.008	2	110.8225	0.000	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>,1|P<4>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.1645	0.015	2	110.1645	0.000	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,1|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CH3)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7097	0.227	10	110.7097	0.052	10	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3){4|H<1>}	H(C[5]C[5]2H)	110.0990	0.000	1	110.0990	0.000	1	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.5245	0.013	2	110.5245	0.000	2	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]C)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(CH3)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.4343	2.473	6	111.4343	6.114	6	110.4107	0.807	89	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	112.8715	0.745	2	112.8715	0.554	2	111.3106	5.386	8	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){3|H<1>}	H(C[5]C[5]2H)	109.2460	4.354	2	110.7903	6.129	6	111.3106	5.386	8	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5330	0.025	2	110.7903	6.129	6	111.3106	5.386	8	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){4|H<1>}	H(C[5]C[5]2H)	112.5920	0.540	2	110.7903	6.129	6	111.3106	5.386	8	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.5628	0.128	6	109.5628	0.016	6	109.7007	0.032	22	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,2|Si<4>}	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	110.0573	0.029	3	110.0573	0.001	3	109.7007	0.032	22	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<4>,2|Si<4>}	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.7055	0.065	8	109.6821	0.007	13	109.7007	0.032	22	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<5>,2|Si<4>}	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.6446	0.101	5	109.6821	0.007	13	109.7007	0.032	22	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2{2|Ru<6>}	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(CH3)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	107.1420	0.062	2	107.1420	0.004	2	107.1420	0.004	2	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<2>}	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.1890	0.051	4	109.1890	0.003	4	109.4045	0.020	19	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>}	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.4453	0.094	12	109.4453	0.009	12	109.4045	0.020	19	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|S<1>}	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.5287	0.064	3	109.5287	0.004	3	109.4045	0.020	19	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CH3)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CH3)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.9900	0.143	2	111.9900	0.020	2	111.9900	0.020	2	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.1507	0.093	3	111.1507	0.009	3	111.1507	0.009	3	110.2567	0.467	497	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:3:5:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-5:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]V)(CHHOV)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|V<7>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]V)(CHHOV)(H){4|H<1>}	H(C[5]C[5]2H)	111.0020	0.041	2	111.0020	0.002	2	111.0020	0.002	2	111.0020	0.002	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2	H(C[5]B[5,6,6]C[5]H)	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2{4|H<1>,6|C<4>}	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2{4|C<4>}	H(C[5]B[5,6,6]C[5]H)	108.7705	0.271	2	108.7705	0.073	2	108.7705	0.073	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5,6]-4:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2	C[5](P[5,6]B[5,6]C[5,6]C[6a])(C[5]B[5,6]HH)(H)2	H(C[5]B[5,6]C[5]H)	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2{1|B<4>,1|H<1>,3|C<4>,4|C<3>}	C[5](P[5,6]B[5,6]C[5,6]C[6a])(C[5]B[5,6]HH)(H)2{1|H<1>,1|P<4>,3|C<4>,4|C<3>}	H(C[5]B[5,6]C[5]H)	109.4357	0.210	4	109.4357	0.044	4	109.4357	0.044	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|P<4>,3|H<1>,4|C<3>}	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2{2|C<3>,2|H<1>}	H(C[5]B[5]C[5]H)	110.3055	0.066	2	110.3055	0.004	2	109.9253	0.152	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]B[5]C[5]H)	110.0320	0.028	2	110.0320	0.001	2	109.9253	0.152	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]B[5]C[5]H)	109.3255	0.028	2	109.6817	0.169	4	109.9253	0.152	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]B[5]C[5]H)	110.0380	0.008	2	109.6817	0.169	4	109.9253	0.152	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2	C[5](P[5,6]C[5,6]C[6a]C[6])(C[5]B[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](P[5,6]C[5,6]C[6a]C[6])(C[5]B[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]B[5]C[5]H)	109.1215	0.066	2	109.1215	0.004	2	109.1215	0.004	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|H<1>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|H<1>,6|C<3>}	H(C[5]B[5]C[5]H)	110.4225	0.028	2	109.9393	0.622	6	110.1398	0.276	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|N<2>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|N<2>,6|C<3>}	H(C[5]B[5]C[5]H)	108.9220	0.030	2	109.9393	0.622	6	110.1398	0.276	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|O<2>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|O<2>,6|C<3>}	H(C[5]B[5]C[5]H)	110.4735	0.054	2	109.9393	0.622	6	110.1398	0.276	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]H)(C[5]B[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](P[5]C[6a]C[5]H)(C[5]B[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]B[5]C[5]H)	110.2413	0.098	4	110.2413	0.010	4	110.1398	0.276	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]C)(C[5]B[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](P[5]C[6a]C[5]C)(C[5]B[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]B[5]C[5]H)	110.3405	0.046	2	110.3405	0.002	2	110.1398	0.276	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]B)(C[5]B[5]HH)(H)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](P[5]C[6a]C[5]B)(C[5]B[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,3|C<3>}	H(C[5]B[5]C[5]H)	110.3375	0.026	2	110.3375	0.001	2	110.1398	0.276	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,3x5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,3x5,3x6]HH)2(H)2	H(C[5]C[3,3x5,3x6]C[5]H)	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2{1|B<7>,2|B<5>,3|B<6>,4|H<1>}	C[5](C[5]C[3,3x5,3x6]HH)2(H)2{2|B<5>,2|B<6>}	H(C[5]C[3,3x5,3x6]C[5]H)	110.5717	0.045	3	110.5717	0.002	3	110.5717	0.002	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,4,4,5,4x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2	H(C[5]C[3,4,4,5,4x6]C[5]H)	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2{4|H<1>,6|B<6>}	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2{5|B<6>}	H(C[5]C[3,4,4,5,4x6]C[5]H)	108.8695	0.029	2	108.8695	0.001	2	108.8695	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{1|Sn<5>,1|B<5>,4|B<6>,4|H<1>}	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|B<5>,3|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	110.9320	0.025	2	110.8933	0.005	3	110.8933	0.005	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|B<5>,3|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	110.8160	0.000	1	110.8933	0.005	3	110.8933	0.005	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,5]HH)2(H)2	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5,5]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[3,5,5]C[5]H)	110.4900	0.016	2	110.5435	0.004	4	110.5913	0.019	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,5]HH)2(H)2	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,2|H<1>,3|C<3>}	C[5](C[5]C[3,5,5]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[3,5,5]C[5]H)	110.5970	0.017	2	110.5435	0.004	4	110.5913	0.019	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,5]HH)2(H)2	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2{2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5,5]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[3,5,5]C[5]H)	110.6390	0.185	4	110.6390	0.034	4	110.5913	0.019	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.5950	0.045	2	110.5950	0.002	2	110.5950	0.002	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)2(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{1|F<1>,3|C<3>,3|H<1>}	C[5](C[5]C[3,5,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[3,5,6]C[5]H)	110.5175	0.016	2	110.4095	0.011	6	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)2(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{2|Cl<1>,2|C<3>,3|H<1>}	C[5](C[5]C[3,5,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[3,5,6]C[5]H)	110.3555	0.079	4	110.4095	0.011	6	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.6030	0.040	2	110.6030	0.002	2	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.9525	0.006	2	110.9525	0.000	2	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)2(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]HH)2(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.8743	0.020	3	110.8743	0.000	3	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.2940	1.723	8	110.2940	2.970	8	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5,6]C[5]H)	111.0640	2.690	2	111.0640	7.235	2	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.7170	0.004	2	110.7170	0.000	2	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,6,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.9180	0.018	2	110.9180	0.000	2	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[3,5,6]C[5]H)	110.7270	0.025	2	110.7270	0.001	2	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[3,5,6]C[5]H)	110.8180	0.038	2	110.8180	0.001	2	110.6139	1.010	31	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2	H(C[5]C[3,5]C[5]F)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H){1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]F)	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.8880	0.004	2	110.8880	0.000	2	110.7621	0.091	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	110.9361	0.075	7	110.9361	0.006	7	110.7621	0.091	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.7080	0.027	2	110.7080	0.001	2	110.7621	0.091	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2{1|Si<4>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.3300	0.025	2	110.3300	0.001	2	110.7621	0.091	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.5373	0.602	3	110.5373	0.362	3	110.7621	0.091	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.8505	0.033	2	110.8505	0.001	2	110.7621	0.091	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[3,5]C[5]H)	110.5650	0.008	2	110.5650	0.000	2	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	110.7070	0.013	2	110.7070	0.000	2	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	110.8318	0.052	12	110.8645	1.752	30	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[3,5]C[5]H)	110.8437	0.041	6	110.8645	1.752	30	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[3,5]C[5]H)	110.9077	2.147	12	110.8645	1.752	30	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.7910	0.020	2	110.7910	0.000	2	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[3,5]C[5]H)	110.8905	0.008	2	110.8905	0.000	2	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.6997	0.158	4	110.6997	0.025	4	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.6480	0.024	2	110.6480	0.001	2	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[5,6]C[3]O[3])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6]C[3]O[3])(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[3,5]C[5]H)	110.6800	0.041	2	110.6800	0.002	2	110.8108	1.139	46	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	112.7230	1.006	2	112.7230	1.011	2	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[3,5]HH)2(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	112.1132	4.217	4	112.1132	17.783	4	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.5865	0.018	2	110.5865	0.000	2	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	C[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.9560	1.259	2	110.8760	0.812	6	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[3,5]HH)2(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.8360	0.905	4	110.8760	0.812	6	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.5383	0.189	4	110.5383	0.036	4	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.4460	0.546	2	110.4460	0.298	2	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.7330	0.000	1	110.4994	0.060	5	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.2370	0.064	2	110.4994	0.060	5	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.6450	0.041	2	110.4994	0.060	5	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]HH)2(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	112.0463	1.324	3	111.3849	1.867	9	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.3550	0.788	2	111.3849	1.867	9	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[3,5]HH)2(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.4038	1.568	4	111.3849	1.867	9	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.7302	0.279	19	110.7302	0.078	19	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.7207	0.310	6	110.7207	0.096	6	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]H)	110.7713	0.151	8	110.7713	0.023	8	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.6618	1.884	6	110.6618	3.550	6	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,7|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.7620	0.109	4	110.7620	0.012	4	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.6620	0.020	2	110.6620	0.000	2	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2{1|C<4>,1|W<6>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.9059	0.223	8	110.9059	0.050	8	110.8999	1.304	87	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2	C[5](C[5]C[3,5]HH)(S[5]N[3,5]OO)(H)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[3,5]HH)(S[5]N[3,5]OO)(H)2{1|C<3>,1|C<4>}	H(C[5]C[3,5]C[5]H)	110.0820	0.068	2	110.0820	0.005	2	110.0820	0.005	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.8840	0.000	1	110.8840	0.000	1	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2{1|N<2>,2|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.9340	0.007	2	110.9340	0.000	2	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[3x5,6]C[5]H)	110.7685	0.037	2	110.8287	0.011	4	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{3|C<4>,7|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	110.8890	0.126	2	110.8287	0.011	4	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[3x5,6]C[5]H)	110.3875	0.189	2	110.3875	0.036	2	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5,6]C[5]H)	111.0378	0.098	4	111.0378	0.010	4	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3x5,6]C[5]H)	110.6870	0.278	4	110.6870	0.077	4	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[3x5,6]C[5]H)	111.2440	0.072	2	111.1997	0.008	3	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[3x5,6]C[5]H)	111.1110	0.000	1	111.1997	0.008	3	110.8670	0.074	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,7|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[3x5]C[5]H)	110.5470	0.000	1	110.2067	0.088	3	110.2067	0.088	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3x5]C[5]H)	110.0365	0.042	2	110.2067	0.088	3	110.2067	0.088	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[3x5]C[5]H)	110.6777	0.105	6	110.6777	0.011	6	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]H)	111.0097	0.075	4	111.0097	0.006	4	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5]C[5]H)	113.4225	3.092	2	112.6427	6.605	3	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5]C[5]H)	111.0830	0.000	1	112.6427	6.605	3	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[3x5]C[5]H)	110.8225	0.021	2	110.8225	0.000	2	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[3x5]HH)2(H)2{2|C<4>,2|O<2>}	H(C[5]C[3x5]C[5]H)	110.7270	0.091	2	110.8068	0.008	6	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	H(C[5]C[3x5]C[5]H)	110.8468	0.068	4	110.8068	0.008	6	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[3x5]C[5]H)	111.0460	0.000	1	111.0460	0.000	1	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[3x5]HH)2(H)2{4|N<3>}	H(C[5]C[3x5]C[5]H)	110.9808	0.228	39	110.9808	0.052	39	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[3x5]HH)2(H)2{2|C<4>,2|O<2>}	H(C[5]C[3x5]C[5]H)	111.1645	0.018	2	111.3113	0.029	4	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[3x5]HH)2(H)2{1|C<3>,3|O<2>}	H(C[5]C[3x5]C[5]H)	111.4580	0.011	2	111.3113	0.029	4	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2{2|C<4>}	H(C[5]C[3x5]C[5]H)	111.2685	1.689	2	111.2685	2.854	2	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[3x5]C[5]H)	113.6240	1.295	2	110.5755	24.666	4	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{4|C<4>}	H(C[5]C[3x5]C[5]H)	107.5270	5.928	2	110.5755	24.666	4	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]H)	113.5315	2.829	2	113.5315	8.004	2	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[3x5]C[5]H)	110.4922	0.064	4	110.4922	0.004	4	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[3x5]C[5]H)	111.0625	0.026	2	111.0625	0.001	2	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[3x5]C[5]H)	111.3170	0.010	2	111.3170	0.000	2	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[3x5]HH)2(H)2{1|C<3>,3|O<2>}	H(C[5]C[3x5]C[5]H)	110.8510	0.014	2	110.8510	0.000	2	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,5|C<3>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<2>,1|N<3>,2|C<3>}	H(C[5]C[3x5]C[5]H)	110.3640	0.020	2	110.3640	0.000	2	111.0367	1.492	85	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,4,5]HH)2(H)2	H(C[5]C[4,4,5]C[5]H)	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[4,4,5]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[4,4,5]C[5]H)	111.1178	0.641	4	111.1178	0.411	4	111.1178	0.411	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2{1|H<1>,1|O<2>,7|C<4>}	H(C[5]C[4,5,5]C[5]H)	110.4755	0.011	2	110.4755	0.000	2	110.4755	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[4,5,5]C[5]H)	111.0705	0.042	4	111.0705	0.002	4	110.9883	0.016	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]HH)2(H)2	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[4,5,5]HH)2(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[4,5,5]C[5]H)	110.7730	0.041	2	110.7730	0.002	2	110.9883	0.016	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]HH)2(H)2	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[4,5,5]HH)2(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[4,5,5]C[5]H)	111.0525	0.022	2	111.0525	0.000	2	110.9883	0.016	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5,5]C[5]H)	111.0780	0.033	2	111.0780	0.001	2	110.9883	0.016	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5]C[5,5]O[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5]C[5,5]O[4])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5,5]C[5]H)	110.8855	0.036	2	110.8855	0.001	2	110.9883	0.016	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,6,6]HH)2(H)2	H(C[5]C[4,5,6,6]C[5]H)	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[4,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[4,5,6,6]C[5]H)	110.8350	0.040	4	110.8350	0.002	4	110.8350	0.002	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[4,5,6]C[5]H)	111.0920	0.055	2	111.0920	0.003	2	111.0920	0.003	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,6]HH)2(H)2	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2{1|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[4,5,6]HH)2(H)2{4|C<3>}	H(C[5]C[4,5,6]C[5]H)	111.2191	3.216	8	111.2191	10.343	8	110.9732	4.963	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5,6]C[5]H)	110.7605	0.019	2	110.7272	0.153	8	110.9732	4.963	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{4|C<4>,5|H<1>}	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5,6]C[5]H)	110.7162	0.461	6	110.7272	0.153	8	110.9732	4.963	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[4,5]C[5]H)	110.5540	0.020	2	110.5540	0.000	2	110.6315	2.025	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[4,5]C[5]H)	111.2855	4.719	2	111.2855	22.264	2	110.6315	2.025	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[4,5]C[5]H)	109.0985	1.882	2	109.0985	3.540	2	110.6315	2.025	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.9501	0.147	7	110.9501	0.022	7	110.6315	2.025	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[4,5]C[5]H)	110.3595	0.006	2	110.3595	0.000	2	110.6315	2.025	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.7445	0.077	2	110.7445	0.006	2	110.6315	2.025	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.7550	0.057	12	110.7550	0.003	12	110.7415	0.011	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[4,5]C[5]H)	110.6877	0.230	3	110.6877	0.053	3	110.7415	0.011	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.9740	0.047	2	110.9740	0.002	2	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.7300	0.014	2	110.7300	0.000	2	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.9862	0.036	4	110.9862	0.001	4	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[4,5]C[5]H)	112.3740	1.907	4	111.5315	2.474	8	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]C[5]H)	111.1145	0.019	2	111.5315	2.474	8	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.2635	0.036	2	111.5315	2.474	8	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.7100	0.000	1	111.0520	5.490	7	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[4,5]C[5]H)	111.1827	3.303	4	111.0520	5.490	7	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.9615	0.012	2	111.0520	5.490	7	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	110.2035	0.006	2	110.2035	0.000	2	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[4,5]C[5]H)	110.9195	0.096	6	110.9195	0.009	6	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.9220	0.000	1	111.0105	0.012	4	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.9090	0.000	1	111.0105	0.012	4	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	111.1055	0.005	2	111.0105	0.012	4	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2{1|Si<4>,1|C<3>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.5055	0.040	2	110.5055	0.002	2	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[4,5]C[5]H)	110.7505	0.011	2	110.7505	0.000	2	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.8295	0.028	2	110.8295	0.001	2	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	111.4345	0.117	2	111.4345	0.014	2	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[4,5]C[5]H)	111.4888	0.100	5	111.4888	0.010	5	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2{1|Li<4>,1|B<4>,1|C<4>,5|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.9090	0.363	3	110.9090	0.132	3	111.0617	1.130	51	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.6960	0.011	2	110.6960	0.000	2	110.6960	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[4x5,6]C[5]H)	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2{5|C<4>,5|H<1>}	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[4x5,6]C[5]H)	111.3230	0.153	2	111.3230	0.023	2	111.3230	0.023	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.3840	2.355	4	110.3840	5.545	4	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.5685	0.009	2	110.5685	0.000	2	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,3x6]C[5]H)	111.7440	0.559	4	111.7440	0.313	4	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.5620	0.006	2	110.5620	0.000	2	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,3x6]C[5]H)	110.7805	0.057	2	110.7805	0.003	2	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,3x6]C[5]H)	110.9847	0.403	21	110.9843	0.148	23	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.9795	0.040	2	110.9843	0.148	23	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,3x6]C[5]H)	111.8915	1.561	2	111.8915	2.435	2	110.9937	0.775	39	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	111.2660	0.013	2	111.2660	0.000	2	111.2660	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	111.2030	0.000	1	111.2030	0.000	1	111.2030	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	110.9585	0.006	2	110.9348	0.003	6	110.8332	0.041	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5,5,6,6]C[5]H)	110.9230	0.065	4	110.9348	0.003	6	110.8332	0.041	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)2(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	110.8845	0.033	2	110.8845	0.001	2	110.8332	0.041	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)2(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	110.9010	0.025	2	110.9010	0.001	2	110.8332	0.041	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<2>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	110.4090	0.034	2	110.4090	0.001	2	110.8332	0.041	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2{1|H<1>,1|O<2>,7|C<4>}	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7430	0.010	2	110.7430	0.000	2	110.7430	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6508	0.108	4	110.6849	0.007	8	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7190	0.024	4	110.6849	0.007	8	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5320	0.042	3	110.5470	0.002	5	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5695	0.039	2	110.5470	0.002	5	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.8648	0.039	4	110.9130	0.007	6	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.0095	0.015	2	110.9130	0.007	6	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	113.5648	1.575	4	113.5648	2.481	4	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	108.5430	1.292	4	108.5430	1.670	4	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.1172	0.084	4	111.1172	0.007	4	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8965	0.073	4	110.8965	0.005	4	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6165	0.029	2	110.6165	0.001	2	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	111.0980	0.013	2	111.0980	0.000	2	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5945	0.030	2	110.5945	0.001	2	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.7795	0.011	2	110.7795	0.000	2	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,1|S<2>,2|H<1>,3|C<4>}	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7095	0.090	2	110.7722	0.008	4	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,1|S<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8350	0.004	2	110.7722	0.008	4	110.8392	1.408	47	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	107.6875	1.595	2	107.6875	2.543	2	109.1482	4.416	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,8|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7810	0.000	1	110.7810	0.000	1	109.1482	4.416	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	109.0255	3.197	2	109.0255	10.220	2	109.1482	4.416	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6820	0.000	1	110.6820	0.000	1	109.1482	4.416	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8340	0.020	2	110.8340	0.000	2	110.8340	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.1505	0.046	2	110.2428	0.013	4	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.3350	0.048	2	110.2428	0.013	4	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4990	0.000	1	110.2623	0.042	3	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.1440	0.007	2	110.2623	0.042	3	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.1810	0.000	1	111.1810	0.000	1	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.3390	0.062	2	110.3390	0.004	2	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4443	1.556	3	110.4443	2.423	3	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	111.2013	2.411	4	111.2013	5.814	4	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.7175	2.183	2	111.7175	4.765	2	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.0715	0.070	2	110.8685	0.057	4	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6655	0.015	2	110.8685	0.057	4	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.5790	0.013	4	110.5790	0.000	4	110.7030	1.258	27	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7358	0.033	5	110.7358	0.001	5	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,6|C<4>}	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9300	0.051	4	110.9300	0.003	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.1060	0.068	2	110.1060	0.005	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.1497	0.294	3	110.2672	0.072	5	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4435	0.115	2	110.2672	0.072	5	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.5007	2.432	4	111.5007	5.916	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.2475	0.190	2	111.2475	0.036	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2{2|O<2>,5|C<4>}	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	111.2760	0.017	2	111.2760	0.000	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.3873	1.239	9	111.3873	1.536	9	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)2(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.6075	0.013	4	110.5603	0.005	6	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)2(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4660	0.000	2	110.5603	0.005	6	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[3,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[3,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.0320	0.004	2	111.0320	0.000	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7917	0.174	4	110.7917	0.030	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.5893	0.076	7	110.5893	0.006	7	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.6923	0.307	4	110.6923	0.094	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8249	1.123	7	110.8171	0.952	9	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7900	0.214	2	110.8171	0.952	9	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)2(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.1210	0.014	2	110.1210	0.000	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.0290	0.000	1	110.7599	0.015	8	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7280	0.066	5	110.7599	0.015	8	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7050	0.035	2	110.7599	0.015	8	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)2(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.9850	0.035	2	110.9850	0.001	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4770	0.229	6	110.4489	0.041	8	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.3645	0.052	2	110.4489	0.041	8	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9411	0.127	13	110.9411	0.016	13	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.7540	0.044	2	110.7540	0.002	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.4850	0.033	2	110.7152	0.046	5	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.8687	0.061	3	110.7152	0.046	5	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9455	0.158	4	110.9455	0.025	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,3|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.8830	0.010	4	110.8830	0.000	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5,6]C[5]H)	110.7720	0.660	2	111.0842	0.224	12	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.1467	0.446	10	111.0842	0.224	12	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.7150	0.178	3	110.7150	0.032	3	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	111.2830	0.011	2	111.1955	0.185	22	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9790	0.027	2	111.1955	0.185	22	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.0375	0.035	2	111.1955	0.185	22	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	111.1070	0.273	14	111.1955	0.185	22	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	112.1015	0.999	2	111.1955	0.185	22	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.7795	0.347	4	110.7795	0.120	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.6605	0.049	2	110.7031	0.758	20	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.4820	0.134	4	110.7031	0.758	20	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	112.0450	1.516	3	110.7031	0.758	20	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4252	0.575	11	110.7031	0.758	20	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4555	0.054	2	110.4555	0.003	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.7535	0.781	2	111.7535	0.611	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.6160	0.000	1	110.6160	0.000	1	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5,5,6]C[5]H)	111.3535	0.029	2	111.3535	0.001	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.3670	0.017	2	110.3670	0.000	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4770	0.010	2	110.6100	0.024	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7430	0.014	2	110.6100	0.024	4	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5,6]C[5]H)	110.0030	0.716	2	110.0030	0.512	2	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	110.9793	0.124	3	110.9793	0.015	3	110.8559	0.429	192	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,3|C<4>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7010	0.008	2	110.7010	0.000	2	110.7010	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	111.1147	0.415	100	111.1147	0.172	100	111.1147	0.172	100	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H){3|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]Br)	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]Br)	110.4770	0.000	1	110.4770	0.000	1	110.1260	0.246	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H){1|N<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]Br)	109.7750	0.000	1	109.7750	0.000	1	110.1260	0.246	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8345	0.004	2	110.8345	0.000	2	110.9941	0.082	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2{1|Si<4>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3820	0.068	2	110.3820	0.005	2	110.9941	0.082	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1465	0.023	2	111.1465	0.001	2	110.9941	0.082	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1134	0.069	8	111.1134	0.005	8	110.9941	0.082	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2010	0.278	4	111.2010	0.077	4	110.9941	0.082	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7230	0.054	2	110.7230	0.003	2	110.9941	0.082	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2705	0.264	2	111.2705	0.070	2	110.8549	0.708	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9755	0.028	2	110.9755	0.001	2	110.8549	0.708	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.3300	3.015	2	111.3300	9.091	2	110.8549	0.708	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.6320	0.000	1	110.6320	0.000	1	110.8549	0.708	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5366	0.172	8	110.5366	0.029	8	110.8549	0.708	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2280	0.028	2	111.2280	0.001	2	110.8549	0.708	17	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8675	1.507	2	110.8675	2.271	2	110.7061	0.527	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,8|C<4>}	H(C[5]C[5,5]C[5]H)	110.8330	0.000	1	110.8330	0.000	1	110.7061	0.527	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.2365	0.508	2	110.2365	0.258	2	110.7061	0.527	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.9510	0.037	2	110.9510	0.001	2	110.7061	0.527	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3925	0.052	2	111.3015	0.012	4	111.3015	0.012	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.2105	0.016	2	111.3015	0.012	4	111.3015	0.012	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1335	0.013	2	111.1335	0.000	2	111.1335	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.4950	0.159	3	110.9263	0.175	7	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.1800	0.000	1	110.9263	0.175	7	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	111.2730	0.094	3	110.9263	0.175	7	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.0590	0.004	2	111.0590	0.000	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.5200	0.047	4	110.8617	0.239	19	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0812	0.036	4	110.8617	0.239	19	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7864	0.116	7	110.8617	0.239	19	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.1155	0.062	4	110.8617	0.239	19	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8165	0.055	4	110.8165	0.003	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	111.5155	0.060	2	111.5155	0.004	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6600	0.021	2	110.6770	0.001	3	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7110	0.000	1	110.6770	0.001	3	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.6170	0.827	2	111.6170	0.684	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	111.2315	0.019	2	111.2315	0.000	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	109.3485	1.225	2	109.3485	1.502	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	109.2805	2.194	2	109.2805	4.814	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.0255	0.006	2	110.0255	0.000	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.6720	4.320	2	111.6720	18.666	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.6470	0.083	2	110.6470	0.007	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.8140	0.163	2	110.8140	0.026	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.5754	2.196	8	111.3803	3.490	11	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.8600	0.072	3	111.3803	3.490	11	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2{2|N<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	109.9755	0.052	2	109.9755	0.003	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6620	0.014	2	110.6620	0.000	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.4036	0.038	8	111.4298	0.004	18	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.4275	0.057	2	111.4298	0.004	18	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.4245	0.059	4	111.4298	0.004	18	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	111.4887	0.104	4	111.4298	0.004	18	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	111.4495	0.053	4	111.4495	0.003	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2{2|N<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.2070	0.033	2	110.2070	0.001	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.7273	0.070	3	110.7273	0.005	3	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7060	0.072	8	110.6770	0.009	16	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.5920	0.038	2	110.6770	0.009	16	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7463	0.024	4	110.6770	0.009	16	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.5075	0.063	2	110.6770	0.009	16	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3957	0.034	3	111.3957	0.001	3	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6055	0.023	4	110.6055	0.001	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]H)	111.3263	0.163	4	111.3263	0.027	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.8997	0.030	4	110.8997	0.001	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.7775	0.080	8	110.7775	0.006	8	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9395	0.169	2	110.9395	0.029	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0915	0.006	2	111.0915	0.000	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9755	0.098	4	110.9755	0.010	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.0152	0.021	4	110.8547	0.036	8	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.6942	0.125	4	110.8547	0.036	8	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9993	0.033	3	110.8780	0.020	7	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.7870	0.114	4	110.8780	0.020	7	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8385	0.019	2	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9485	0.029	2	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3250	0.027	2	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2041	0.112	8	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9317	0.104	4	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9920	0.045	3	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0155	0.004	2	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.1128	0.038	4	111.0756	0.025	27	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.3240	0.000	1	111.3240	0.000	1	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.4460	0.106	2	111.4460	0.011	2	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2{1|O<2>,4|C<4>}	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	111.2710	0.025	3	111.2710	0.001	3	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.1822	0.033	4	111.1822	0.001	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2{4|C<4>}	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.3570	0.080	4	111.3570	0.006	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.6115	0.157	21	110.6115	0.025	21	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.5820	1.432	4	111.5820	2.052	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.3760	1.892	4	111.3760	3.581	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	112.1005	2.680	4	112.1005	7.183	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2{2|Si<4>,2|C<3>,4|C<4>}	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2{2|Si<4>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	108.9027	2.925	4	108.9027	8.558	4	110.9472	0.815	235	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4560	0.047	2	110.4560	0.002	2	110.4560	0.002	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9487	0.030	3	110.9334	0.004	5	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.9105	0.108	2	110.9334	0.004	5	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2440	0.013	2	111.2440	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.5560	0.040	2	110.9428	0.200	4	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]H)	111.3295	0.021	2	110.9428	0.200	4	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.3945	0.015	2	110.3945	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.8633	0.030	3	110.8633	0.001	3	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.4035	0.015	2	110.4035	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9315	0.025	2	111.1209	0.027	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.1588	0.152	10	111.1209	0.027	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7525	0.369	8	110.7103	0.140	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.9935	0.025	2	110.7103	0.140	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.2585	0.009	2	110.7103	0.140	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5150	0.014	2	111.4472	2.158	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3755	0.014	4	111.4472	2.158	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	112.4723	1.490	6	111.4472	2.158	12	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.3605	3.434	2	111.3605	11.795	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6325	0.019	2	110.6325	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0320	0.004	2	111.0320	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]Ru)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2{1|Ru<11>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]Ru)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5505	0.039	2	110.5505	0.002	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8120	0.018	2	110.8120	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9045	0.009	2	110.7165	0.047	4	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5285	0.008	2	110.7165	0.047	4	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2935	0.012	2	111.2935	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,6|C<4>}	H(C[5]C[5,5]C[5]H)	110.4685	0.016	2	110.4685	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.1400	0.101	6	111.1400	0.010	6	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,4|O<2>}	H(C[5]C[5,5]C[5]H)	111.1045	0.025	2	111.0510	0.009	3	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,4|O<2>}	H(C[5]C[5,5]C[5]H)	110.9440	0.000	1	111.0510	0.009	3	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.9352	4.479	4	110.6442	3.595	18	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.6122	0.213	10	110.6442	3.595	18	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.4333	0.054	4	110.6442	3.595	18	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.3795	3.819	2	110.3795	14.585	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|O<2>}	H(C[5]C[5,5]C[5]H)	110.4485	0.015	2	110.4485	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.3984	0.186	20	110.3984	0.034	20	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.2640	0.010	2	110.8718	0.205	4	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.4795	0.012	2	110.8718	0.205	4	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.2790	0.053	4	110.3095	0.004	6	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.3705	0.022	2	110.3095	0.004	6	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.1840	0.006	2	110.1840	0.000	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.2295	0.060	2	111.2295	0.004	2	110.7956	0.972	137	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.5665	0.032	2	110.5665	0.001	2	110.5665	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.1715	0.030	2	111.1715	0.001	2	111.1715	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2{1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.7890	0.018	2	110.7890	0.000	2	110.6648	0.037	5	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5820	0.222	3	110.5820	0.049	3	110.6648	0.037	5	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1454	0.157	10	111.1306	0.017	16	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0350	0.024	2	111.1306	0.017	16	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1412	0.053	4	111.1306	0.017	16	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.5744	0.070	7	111.5744	0.005	7	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.3367	0.022	4	111.3367	0.000	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]H)	109.3055	10.111	2	109.3055	102.231	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9505	0.006	2	110.6622	0.050	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5180	0.020	4	110.6622	0.050	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0773	0.105	3	111.0773	0.011	3	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.4405	0.012	2	111.4405	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.8410	3.363	2	111.8410	11.310	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.6091	0.264	14	110.6262	0.063	16	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.7465	0.015	2	110.6262	0.063	16	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.1035	0.050	2	111.0627	0.003	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0220	0.018	2	111.0627	0.003	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5990	0.047	2	110.7516	5.962	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	108.4675	2.415	2	110.7516	5.962	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.0996	2.532	14	110.7516	5.962	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1532	0.381	10	110.8413	0.222	34	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.3410	0.229	5	110.8413	0.222	34	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.1145	0.121	4	110.8413	0.222	34	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.4557	0.835	4	110.8413	0.222	34	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9633	0.027	4	110.8413	0.222	34	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7476	0.270	7	110.8413	0.222	34	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5640	0.049	4	110.5640	0.002	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,3|O<2>}	H(C[5]C[5,5]C[5]H)	110.5615	0.010	4	110.5615	0.000	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.4570	0.017	2	110.1439	9.631	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.6908	0.084	4	110.1439	9.631	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	107.7370	7.153	2	110.1439	9.631	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]H)	110.7735	0.013	2	110.5920	0.046	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]H)	110.4105	0.078	2	110.5920	0.046	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.5599	0.164	7	110.5599	0.027	7	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.2795	0.033	2	110.2795	0.001	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3855	3.252	2	111.3855	10.575	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9360	4.479	2	112.3190	9.397	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	113.0105	2.658	4	112.3190	9.397	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.0655	0.006	2	111.0655	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.3613	0.049	6	110.5166	0.355	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9825	1.375	2	110.5166	0.355	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7795	0.088	2	110.7795	0.008	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0290	0.023	2	110.6880	0.156	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.3470	0.052	2	110.6880	0.156	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	109.6665	0.071	2	110.3130	11.385	15	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8190	0.008	2	110.3130	11.385	15	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	108.5161	12.199	2	110.3130	11.385	15	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9753	0.241	3	110.3130	11.385	15	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6275	0.387	6	110.3130	11.385	15	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3334	0.058	5	111.3334	0.003	5	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0935	0.019	2	111.0935	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8275	0.047	2	110.9617	0.039	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8480	0.051	2	110.9617	0.039	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2095	0.057	2	110.9617	0.039	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.4005	0.019	2	111.0722	0.070	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<3>,4|C<4>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9080	0.091	4	111.0722	0.070	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.1810	0.000	1	111.1810	0.000	1	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6230	0.000	1	110.8488	0.018	5	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9052	0.047	4	110.8488	0.018	5	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9425	0.037	4	110.9425	0.001	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.8510	1.694	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6115	0.013	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9955	0.006	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6655	0.384	8	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.7305	2.015	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.4783	0.165	7	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5350	0.030	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8288	0.142	12	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6573	0.262	7	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.4390	0.000	1	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	109.9765	1.307	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8230	0.013	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7050	0.000	1	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.8545	5.927	4	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	104.5020	2.884	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0985	0.011	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8990	0.049	4	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	112.1185	3.536	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8205	0.008	2	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2500	0.073	4	110.6643	3.275	70	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.1437	0.027	6	111.1437	0.001	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7345	0.063	2	111.0055	0.045	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	111.1410	0.016	4	111.0055	0.045	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9645	0.040	6	110.9645	0.002	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.9445	0.192	4	110.9445	0.037	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.0630	0.075	2	110.9243	0.114	7	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.9380	0.018	2	110.9243	0.114	7	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8227	0.553	3	110.9243	0.114	7	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.0485	0.023	2	111.0485	0.001	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9400	0.078	3	110.9400	0.006	3	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Rh)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Rh)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|Rh<8>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3151	0.090	7	111.3151	0.008	7	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2{1|Si<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|Ru<8>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.4338	0.057	4	111.3735	0.020	11	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|Ru<8>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.3390	0.169	7	111.3735	0.020	11	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.2130	0.062	2	111.2130	0.004	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)2(H)2{3|C<3>}	H(C[5]C[5,5]C[5]H)	110.9086	0.091	12	110.9086	0.008	12	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.8045	0.005	2	110.8045	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.7905	0.781	2	111.7905	0.611	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.5730	0.029	4	110.9488	0.113	35	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8575	0.205	11	110.9488	0.113	35	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5750	0.011	2	110.9488	0.113	35	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5,5]C[5]H)	111.0896	0.268	8	110.9488	0.113	35	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6546	0.030	8	110.9488	0.113	35	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1890	0.031	2	110.9488	0.113	35	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9900	0.000	1	110.7779	0.090	9	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7514	0.309	8	110.7779	0.090	9	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2{1|Se<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|Se<2>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8525	0.015	2	110.8525	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	112.0385	3.542	2	111.2356	1.603	10	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.7710	0.025	2	111.2356	1.603	10	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.0415	0.049	4	111.2356	1.603	10	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.2855	0.009	2	111.2356	1.603	10	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9137	0.106	3	110.9137	0.011	3	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.3785	2.493	6	110.9788	2.030	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2035	0.971	2	110.9788	2.030	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.6650	0.021	2	110.9788	2.030	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.2440	0.000	1	110.9788	2.030	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5147	0.090	3	110.9788	2.030	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9555	0.114	4	110.9788	2.030	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.8280	0.000	1	110.8280	0.000	1	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.9345	0.005	2	111.1827	0.108	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.4310	0.280	2	111.1827	0.108	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.3485	0.115	2	110.7273	0.042	10	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.8220	0.027	8	110.7273	0.042	10	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.0345	0.646	2	111.0345	0.417	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|Se<2>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.5320	0.006	2	111.5320	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.6018	0.060	4	110.6018	0.004	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.4120	0.125	4	110.4120	0.016	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	111.1680	0.691	4	111.1680	0.478	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8060	0.044	2	110.8175	1.593	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8233	1.629	4	110.8175	1.593	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.6036	0.024	5	110.6036	0.001	5	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.3565	0.006	2	111.3565	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6640	0.066	3	110.6640	0.004	3	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5,5]C[5]H)	111.1785	0.029	2	111.1785	0.001	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<2>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.2235	0.016	2	111.2235	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.9222	0.139	8	110.9222	0.019	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.4815	0.374	2	111.4815	0.140	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.5365	0.229	4	110.6868	0.052	9	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.5390	0.000	1	110.6868	0.052	9	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.8740	0.030	4	110.6868	0.052	9	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5,5]C[5]H)	111.0757	0.062	4	111.0757	0.004	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.7797	0.244	3	110.7640	0.014	13	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5,5]C[5]H)	110.7807	0.048	8	110.7640	0.014	13	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5,5]C[5]H)	110.6735	0.118	2	110.7640	0.014	13	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]C[5,5]C[5]H)	111.3035	0.039	2	111.3035	0.002	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.4290	1.119	12	111.2132	0.740	22	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<1>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6905	0.119	4	111.2132	0.740	22	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.1415	0.019	2	111.2132	0.740	22	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1245	0.100	4	111.2132	0.740	22	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.3050	0.010	2	111.3050	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6405	0.049	2	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.7235	0.008	2	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8495	0.025	2	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4005	0.080	4	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1035	0.006	2	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7370	0.016	2	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5715	0.501	4	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8520	0.000	1	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8020	0.031	2	110.6882	0.081	21	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7605	0.529	4	110.7605	0.280	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9090	0.008	2	110.9090	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.9245	0.323	6	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.2610	0.057	4	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.7850	0.025	2	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.4925	0.018	2	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.7550	0.000	1	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7897	0.225	4	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7188	0.155	4	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5969	0.422	10	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9920	0.284	4	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6825	0.026	2	110.6984	0.112	39	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8675	3.898	2	110.8675	15.197	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5290	0.066	2	110.5373	0.002	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5455	0.019	2	110.5373	0.002	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5,5]C[5]H)	110.7640	0.134	4	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8293	0.246	4	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.7583	2.074	4	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,8|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7856	0.150	11	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6140	0.179	4	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0200	0.000	1	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.5538	0.070	10	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6683	0.169	9	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.5050	0.000	1	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4424	0.103	8	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6865	0.089	4	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.4653	0.052	3	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8543	0.272	4	110.7266	0.301	67	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.3285	0.025	2	110.3285	0.001	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5427	0.026	4	111.1710	4.934	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	111.7993	3.234	4	111.1710	4.934	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.0870	0.056	3	111.0870	0.003	3	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.0038	0.072	6	111.0038	0.005	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	112.7878	3.224	4	112.7878	10.391	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.4917	0.045	4	110.4917	0.002	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.8669	0.485	34	110.9956	0.359	40	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	111.7252	0.707	6	110.9956	0.359	40	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.3297	0.123	6	111.3376	0.011	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.3615	0.040	2	111.3376	0.011	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.2411	0.192	10	111.2411	0.037	10	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.5560	0.027	2	110.5560	0.001	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|In<5>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7280	0.028	3	110.7280	0.001	3	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1497	0.361	6	111.1497	0.130	6	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1560	0.000	1	110.9877	0.843	26	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7067	0.163	6	110.9877	0.843	26	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.0675	1.062	19	110.9877	0.843	26	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	111.4640	0.032	3	111.4640	0.001	3	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.6605	0.043	2	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.6480	0.018	2	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1545	0.015	2	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.7950	0.006	2	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.6137	0.469	4	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.9080	0.000	1	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.1735	0.005	2	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8887	0.030	3	111.0496	0.167	18	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9420	0.033	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.6343	0.350	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.1017	0.249	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.7250	0.496	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.3755	0.035	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.1205	0.009	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0786	0.959	89	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7855	0.310	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0956	0.257	5	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	112.7385	1.996	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.9490	0.004	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.1880	2.234	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.1980	0.027	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.2217	0.103	3	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.9488	0.335	5	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5,5]C[5]H)	111.5794	1.656	9	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|S<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,5]C[5]H)	110.6960	0.027	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9311	0.225	16	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,1|P<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[5]C[5,5]C[5]H)	110.6635	0.297	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.4755	0.022	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5,5]C[5]H)	111.1944	0.267	40	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|B<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|B<4>}	H(C[5]C[5,5]C[5]H)	110.6220	0.028	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.4247	0.097	9	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9910	0.018	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.2800	0.258	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6907	1.828	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	115.2790	5.257	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.9185	0.037	2	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.8368	0.188	13	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6630	0.215	4	111.1321	0.894	249	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.4390	0.027	2	111.4390	0.001	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.2510	0.047	2	111.2510	0.002	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1965	0.006	2	111.1965	0.000	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2{1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	111.0678	0.247	4	111.0678	0.061	4	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	112.0440	3.922	2	111.0861	2.556	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.7668	0.112	6	111.0861	2.556	8	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.2587	2.013	4	110.9971	0.810	17	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9166	0.193	13	110.9971	0.810	17	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2{4|Si<4>,1|N<2>,1|N<3>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2{2|Si<4>,1|C<3>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.0065	0.028	2	110.0065	0.001	2	110.9520	1.194	1109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9715	0.021	2	110.9715	0.000	2	110.7482	0.434	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9930	0.008	2	110.9930	0.000	2	110.7482	0.434	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.8600	0.126	4	110.8600	0.016	4	110.7482	0.434	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2{2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.0565	1.623	2	110.0565	2.634	2	110.7482	0.434	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	109.7640	0.025	2	109.7640	0.001	2	109.7640	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,4|C<4>}	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.7705	2.597	4	111.7705	6.745	4	111.7705	6.745	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2	C[5](P[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](P[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	109.8305	0.018	2	109.8305	0.000	2	109.8305	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]I)	111.9310	0.000	1	110.3050	5.288	2	110.3050	5.288	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]I)	108.6790	0.000	1	110.3050	5.288	2	110.3050	5.288	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8575	0.073	2	110.8575	0.005	2	110.8575	0.005	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.0365	0.005	2	110.0365	0.000	2	110.0365	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.5540	0.004	2	110.5540	0.000	2	110.5540	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7570	0.044	2	110.7570	0.002	2	110.7570	0.002	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8515	0.214	28	110.8515	0.046	28	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	113.7835	2.470	4	113.7835	6.102	4	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6380	0.118	4	110.6380	0.014	4	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.4862	0.075	4	110.4862	0.006	4	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0770	0.028	2	111.0632	0.132	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5]H)	111.2465	0.045	2	111.0632	0.132	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0025	0.900	2	111.0632	0.132	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.9270	0.000	2	111.0632	0.132	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.4310	0.909	2	111.1161	0.240	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7525	0.008	2	111.1161	0.240	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8300	0.037	2	111.1161	0.240	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.4510	0.000	2	111.1161	0.240	8	111.0876	1.002	56	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2{1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7880	0.025	2	110.7880	0.001	2	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3050	0.000	1	110.3050	0.000	1	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.4895	0.013	2	110.4895	0.000	2	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7955	0.011	2	110.7955	0.000	2	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8395	0.015	2	110.8395	0.000	2	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0390	0.024	2	111.0390	0.001	2	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	112.7065	1.561	2	112.7065	2.435	2	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	113.6190	1.864	2	113.6190	3.474	2	111.3906	1.743	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8240	0.020	2	110.8240	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	111.0755	0.026	2	111.0755	0.001	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6215	0.009	2	110.6215	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.4760	0.010	2	110.4760	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6,6]C[5]H)	110.7880	0.034	2	111.1200	0.413	6	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.9440	0.007	2	111.1200	0.413	6	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6280	0.014	2	111.1200	0.413	6	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8880	0.017	2	110.8880	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.9430	0.000	1	110.7122	0.073	5	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6545	0.273	4	110.7122	0.073	5	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7312	0.204	5	110.8037	0.043	7	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9850	0.025	2	110.8037	0.043	7	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6,6]C[5]H)	111.2290	0.041	2	111.1614	0.015	14	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6,6]C[5]H)	111.1502	0.128	12	111.1614	0.015	14	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.0165	0.015	2	111.0165	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5,6,6]C[5]H)	110.6695	0.012	2	110.6695	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5,6,6]C[5]H)	110.5860	0.062	2	110.5860	0.004	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6,6]C[5]H)	110.9603	0.097	15	110.9603	0.009	15	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8265	0.008	2	110.8265	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.5840	0.008	2	110.5840	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,6,6]C[5]H)	110.9790	0.020	2	110.9790	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,6|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6490	0.004	2	110.4961	0.082	21	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3905	0.290	4	110.4961	0.082	21	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|N<3>,6|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5039	0.303	15	110.4961	0.082	21	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.7550	0.038	2	110.8628	0.016	4	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{4|H<1>,5|C<4>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.9705	0.008	2	110.8628	0.016	4	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	111.1890	0.006	2	111.1890	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6,6]C[5]H)	110.9120	0.014	2	110.9120	0.000	2	110.8340	0.108	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	108.6760	0.093	2	108.6760	0.009	2	108.6760	0.009	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2	H(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]F)	110.1063	0.561	3	110.1063	0.315	3	110.1063	0.315	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7885	0.043	2	110.7885	0.002	2	110.7885	0.002	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4800	0.033	2	110.4800	0.001	2	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,4|C<4>}	C[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8860	0.000	1	110.8860	0.000	1	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3140	0.042	5	110.4089	0.031	27	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3925	0.084	10	110.4089	0.031	27	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4620	0.242	12	110.4089	0.031	27	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9745	0.074	2	110.9745	0.006	2	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8390	0.007	2	110.8390	0.000	2	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.6180	0.006	2	110.6180	0.000	2	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7027	0.048	4	110.7027	0.002	4	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6]C[3]O[3])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[3,5]C[5,6]C[3]O[3])(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0380	0.031	2	111.0380	0.001	2	110.5389	0.063	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,7|C<4>}	H(C[5]C[5,6]C[5]H)	110.8990	0.000	1	110.6335	0.095	4	110.6335	0.095	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.5450	0.308	3	110.6335	0.095	4	110.6335	0.095	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8259	0.085	10	110.8259	0.007	10	110.8386	0.012	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8702	0.171	4	110.8702	0.029	4	110.8386	0.012	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4565	0.006	2	110.4565	0.000	2	110.4565	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8580	0.013	2	110.7648	0.012	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6715	0.008	2	110.7648	0.012	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0220	0.051	2	110.9650	0.005	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.9080	0.006	2	110.9650	0.005	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.3850	0.000	1	110.3850	0.000	1	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9813	1.767	4	110.9813	3.124	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3055	0.447	4	111.3055	0.200	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3580	0.000	1	110.3580	0.000	1	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7025	0.009	2	110.6335	0.007	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5645	0.049	2	110.6335	0.007	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7420	0.118	4	110.7420	0.014	4	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	109.0065	3.344	2	109.0065	11.182	2	110.7259	1.085	28	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.4060	0.030	2	111.4060	0.001	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1435	0.021	2	110.9809	0.025	12	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9484	0.152	10	110.9809	0.025	12	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.1873	0.033	3	111.1440	0.005	5	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.0790	0.042	2	111.1440	0.005	5	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8355	0.049	2	110.8355	0.002	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.9335	0.012	2	110.9261	0.117	12	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9835	0.405	8	110.9261	0.117	12	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6890	0.008	2	110.9261	0.117	12	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8190	0.000	1	110.8190	0.000	1	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9465	0.006	2	110.9465	0.000	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4160	0.014	2	110.8065	0.496	4	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.1970	0.025	2	110.8065	0.496	4	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3795	1.604	8	111.2581	1.468	14	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.6085	0.012	2	111.2581	1.468	14	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8402	0.032	4	111.2581	1.468	14	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1640	0.021	2	111.1640	0.000	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7680	0.007	2	110.9900	0.066	4	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.2120	0.031	2	110.9900	0.066	4	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7535	5.955	2	110.7535	35.457	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]Ru)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]Ru)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2{1|Ru<11>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2985	0.013	2	111.2985	0.000	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5240	0.011	2	110.5240	0.000	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.1810	0.054	2	111.1810	0.003	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	111.2970	0.034	2	111.2970	0.001	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8520	0.038	8	110.8520	0.001	8	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5530	0.034	2	110.4972	0.005	4	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.4415	0.015	2	110.4972	0.005	4	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|O<2>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.9170	0.037	2	110.9170	0.001	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	112.3293	3.241	4	111.3081	2.054	20	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.1253	0.429	12	111.3081	2.054	20	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.8353	0.092	4	111.3081	2.054	20	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.0030	0.162	21	111.0030	0.026	21	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9920	0.049	2	110.9920	0.002	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	116.9215	1.050	2	116.9215	1.103	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.9450	0.020	2	110.9240	0.002	3	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.8820	0.000	1	110.9240	0.002	3	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,6|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.7645	0.005	2	110.7645	0.000	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.1377	0.123	4	111.0988	0.013	6	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.0210	0.044	2	111.0988	0.013	6	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.3990	0.042	2	110.3990	0.002	2	111.1156	1.231	142	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2{1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4975	0.006	2	110.4975	0.000	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4620	0.044	2	110.4620	0.002	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6330	0.004	2	110.6330	0.000	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2{1|C<3>,4|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0200	0.091	2	111.0200	0.008	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7675	0.033	2	110.7675	0.001	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6540	0.075	2	110.6540	0.006	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3570	5.128	2	110.3570	26.296	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5115	1.305	2	110.5115	1.702	2	110.6128	1.908	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.0985	0.023	2	111.0985	0.001	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.4005	0.689	2	111.4005	0.475	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.4903	0.146	4	110.4903	0.021	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.4408	0.121	4	110.4408	0.015	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7480	0.007	2	110.7480	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.3370	0.000	1	110.2377	0.008	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.1880	0.035	2	110.2377	0.008	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.6950	0.030	2	110.6950	0.001	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.3290	0.000	1	110.5420	0.034	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.6485	0.015	2	110.5420	0.034	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7887	0.229	21	110.7887	0.053	21	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.1075	0.093	4	110.3512	0.050	10	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.4835	0.080	4	110.3512	0.050	10	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.5740	0.041	2	110.3512	0.050	10	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5300	0.036	3	110.5300	0.001	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6290	0.023	4	110.5057	0.014	10	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4110	0.016	2	110.5057	0.014	10	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4297	0.078	4	110.5057	0.014	10	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.1900	3.244	8	110.1900	10.522	8	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.1610	0.028	2	110.1610	0.001	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7987	0.584	4	110.7987	0.341	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6970	0.013	2	110.5537	0.016	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5217	0.090	4	110.5537	0.016	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3950	0.000	1	110.5537	0.016	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2910	0.052	2	111.2910	0.003	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9477	0.260	4	110.9477	0.068	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4270	0.038	3	110.4270	0.001	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.2765	0.006	4	110.2765	0.000	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.4205	0.305	2	111.4205	0.093	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7040	0.018	3	110.7158	0.002	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.6640	0.000	1	110.7158	0.002	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7595	0.008	2	110.7158	0.002	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0185	1.279	4	111.0185	1.636	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7360	0.011	2	110.6662	0.007	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5965	0.009	2	110.6662	0.007	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9945	0.008	2	110.9945	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.3775	2.965	4	110.3775	8.791	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.4185	0.006	2	110.4185	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.6473	0.522	6	111.0223	0.425	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.5820	0.031	2	111.0223	0.425	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|S<4>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<4>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.4855	0.011	2	111.0223	0.425	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6720	0.028	2	111.0223	0.425	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.4745	0.008	2	111.0223	0.425	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.5088	0.177	4	110.5088	0.031	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6290	0.008	2	110.6880	0.005	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7470	0.006	2	110.6880	0.005	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.8485	0.009	2	110.8485	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.7125	1.738	6	111.1476	1.429	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.7930	0.014	2	111.1476	1.429	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<4>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.5035	0.006	2	111.1476	1.429	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7840	0.014	2	111.1476	1.429	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8155	0.006	2	111.1476	1.429	14	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6718	0.314	4	110.3653	0.172	12	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	110.1135	0.401	2	110.3653	0.172	12	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.5610	0.655	2	110.3653	0.172	12	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.9210	0.025	2	110.3653	0.172	12	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.2530	0.048	2	110.3653	0.172	12	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6431	0.050	7	110.6431	0.003	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5273	0.034	3	110.5273	0.001	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.3095	0.018	2	110.3095	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7352	0.049	6	110.7352	0.002	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9615	0.012	2	110.9615	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7382	0.195	19	110.7458	0.046	28	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5428	0.067	5	110.7458	0.046	28	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|P<4>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0358	0.031	4	110.7458	0.046	28	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|P<4>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6367	0.041	3	110.9409	0.064	27	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8875	0.176	19	110.9409	0.064	27	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3260	0.097	5	110.9409	0.064	27	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8680	0.034	2	110.8680	0.001	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8535	0.012	2	111.2740	9.480	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.4843	3.953	4	111.2740	9.480	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2247	0.041	3	111.2247	0.002	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.5860	0.783	2	111.5860	0.614	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{5|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0320	0.050	3	111.0320	0.002	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7110	0.916	2	110.9967	0.841	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2825	1.165	2	110.9967	0.841	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.2648	0.953	31	110.2648	0.908	31	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.2180	2.892	2	110.6477	0.778	13	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0860	0.325	2	110.6477	0.778	13	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.5892	0.064	5	110.6477	0.778	13	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7165	0.143	4	110.6477	0.778	13	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[5]C[5,6]C[5]H)	110.9190	0.037	2	110.9190	0.001	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7455	0.013	2	110.7913	0.624	8	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8065	0.934	6	110.7913	0.624	8	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6985	0.012	2	110.6985	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1035	0.005	2	111.1035	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8570	1.042	6	110.8210	0.780	8	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7130	0.004	2	110.8210	0.780	8	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7940	0.116	4	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.9330	0.032	3	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.9890	0.045	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1593	1.961	16	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3417	0.888	10	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0523	1.103	10	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9930	1.113	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4013	0.897	4	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.8060	0.083	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.6923	0.094	14	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7310	0.051	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8885	0.013	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5285	0.039	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4200	0.205	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7720	0.423	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0585	0.022	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7780	0.023	4	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4630	0.013	2	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9778	0.048	4	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8595	0.378	4	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.2059	5.532	11	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7130	0.108	13	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.8956	1.408	7	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.5975	3.280	4	110.7790	3.753	128	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,6]C[5]H)	111.0920	0.074	2	111.0920	0.005	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8420	0.022	3	110.8420	0.000	3	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8740	0.007	2	111.7700	0.769	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	112.2180	0.692	4	111.7700	0.769	6	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{5|C<4>}	H(C[5]C[5,6]C[5]H)	110.9650	0.096	4	110.9650	0.009	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1240	0.016	2	111.1240	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0785	0.021	2	111.0785	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0535	0.022	2	111.0536	0.002	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0420	0.006	2	111.0536	0.002	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1420	0.000	1	111.0536	0.002	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0210	0.021	2	111.0536	0.002	7	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.3090	0.038	2	111.6660	0.181	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	112.0230	0.174	2	111.6660	0.181	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<4>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.6425	1.136	2	111.6425	1.291	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0440	0.017	2	111.0440	0.000	2	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	112.5420	0.767	2	111.7415	1.051	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9410	0.044	2	111.7415	1.051	4	110.7686	1.537	501	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0289	0.153	8	111.0289	0.023	8	111.0289	0.023	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8470	0.010	2	110.8470	0.000	2	110.8470	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{3|O<2>,4|C<4>}	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8625	0.026	2	110.8625	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0807	0.105	3	111.0807	0.011	3	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	111.0357	0.111	3	111.0357	0.012	3	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	112.9135	0.694	2	112.9135	0.481	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8510	0.000	1	110.8510	0.000	1	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3025	0.040	2	111.3025	0.002	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9935	0.056	4	110.9935	0.003	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0260	0.107	2	111.0260	0.012	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9008	0.221	4	110.9008	0.049	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9660	0.000	1	110.9660	0.000	1	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	110.5240	0.031	2	110.6571	0.036	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6904	0.199	8	110.6571	0.036	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.7904	2.388	7	111.5179	4.915	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1150	0.000	1	111.5179	4.915	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1418	2.491	4	111.5179	4.915	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	112.4455	2.197	4	111.5184	2.247	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9003	0.043	6	111.5184	2.247	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.5632	0.181	4	110.5632	0.033	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	112.7960	0.721	2	112.7960	0.520	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6198	0.060	4	110.7711	0.040	11	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8576	0.203	7	110.7711	0.040	11	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1875	0.009	2	111.1875	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3755	0.036	2	111.3755	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1150	0.321	2	111.1150	0.103	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8888	0.181	6	110.8888	0.033	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6365	0.069	2	110.6365	0.005	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.4855	0.021	2	110.6658	0.032	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.9125	0.012	2	110.6658	0.032	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5475	0.036	2	110.6658	0.032	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7175	0.035	2	110.6658	0.032	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1130	0.150	2	110.1130	0.022	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.9320	1.652	4	111.5813	6.579	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8390	0.137	2	111.5813	6.579	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.3555	0.009	2	111.5813	6.579	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.7357	4.047	6	111.5813	6.579	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1890	0.000	1	111.5813	6.579	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	112.7078	2.658	4	111.3221	3.731	14	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7679	1.356	10	111.3221	3.731	14	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|S<2>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9150	0.038	2	110.7960	2.032	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1445	0.050	2	110.7960	2.032	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.3285	3.074	2	110.7960	2.032	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.2650	0.735	2	110.5430	0.284	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8210	0.025	2	110.5430	0.284	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|B<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.6795	0.095	2	110.6795	0.009	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	112.1183	1.883	4	111.0845	1.774	11	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8595	0.028	2	111.0845	1.774	11	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3240	0.037	3	111.0845	1.774	11	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3825	0.037	2	111.0845	1.774	11	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8748	0.317	26	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8270	0.047	2	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8165	0.159	4	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9447	0.019	3	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7635	0.064	4	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.5168	0.819	6	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0405	0.009	2	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6835	0.147	11	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7935	0.235	19	110.8744	0.136	77	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0280	0.014	2	111.0280	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.7827	0.169	4	110.9300	0.041	59	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.2433	0.079	4	110.9300	0.041	59	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9940	0.010	2	110.9300	0.041	59	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9270	0.176	11	110.9300	0.041	59	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.9100	0.200	38	110.9300	0.041	59	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.8980	0.054	4	110.8485	0.008	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	110.7495	0.022	2	110.8485	0.008	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6740	0.000	1	110.6740	0.000	1	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9243	0.136	4	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9373	0.230	4	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0073	0.061	7	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8222	0.174	10	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1113	1.003	73	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0205	0.039	2	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0385	0.045	2	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1779	0.153	8	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	112.1128	1.572	4	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9775	0.095	2	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0438	0.836	517	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7065	0.036	2	111.0533	0.705	635	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8725	0.460	8	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9170	0.050	4	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9583	0.675	106	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9255	0.033	2	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0498	1.043	24	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9357	0.060	4	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0638	1.090	85	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9005	0.021	2	111.0010	0.748	235	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.2955	0.037	2	111.2955	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.0330	0.008	2	110.9622	0.009	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9267	0.098	4	110.9622	0.009	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	111.8735	0.518	2	111.8735	0.269	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8515	0.015	2	110.8515	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|I<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0815	0.181	8	111.0815	0.033	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9531	0.134	11	111.1760	1.360	118	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7995	0.050	2	111.1760	1.360	118	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8370	0.000	1	111.1760	1.360	118	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2101	1.238	104	111.1760	1.360	118	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.4140	0.028	2	110.4917	0.009	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5305	0.095	4	110.4917	0.009	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	111.1070	0.025	2	111.2881	0.670	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.4680	1.010	12	111.2881	0.670	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1569	0.689	8	111.2881	0.670	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9150	0.016	2	111.2881	0.670	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.2840	0.017	2	110.5835	0.120	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8830	0.006	2	110.5835	0.120	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6909	0.263	24	110.6909	0.069	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9197	0.118	4	110.9197	0.014	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9862	1.511	6	110.9862	2.283	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1120	0.051	2	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.6565	0.029	4	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9730	0.161	4	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9359	1.164	19	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4980	0.007	2	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0060	0.149	4	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2560	0.017	2	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0399	0.091	8	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]H)	110.9400	0.013	2	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0203	0.009	3	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1985	0.096	6	110.9376	0.488	56	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.8020	0.099	2	110.8020	0.010	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6183	0.101	4	110.4444	0.037	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4103	0.081	4	110.4444	0.037	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1650	0.017	2	110.4444	0.037	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1080	0.000	1	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5775	0.073	2	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3390	0.000	1	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.3865	0.009	2	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6310	0.030	2	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5360	0.081	2	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5738	0.307	4	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4630	0.000	1	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1600	0.060	4	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6110	0.081	3	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.8185	6.498	2	110.7740	2.021	24	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9575	0.047	2	111.0892	0.107	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0345	0.064	2	111.0892	0.107	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5020	0.006	2	111.0892	0.107	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3470	0.087	6	111.0892	0.107	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9943	0.149	22	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9165	0.009	2	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6440	0.000	1	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.2122	0.136	4	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.4310	0.018	2	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8583	0.661	18	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	112.2140	0.109	2	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7618	0.032	5	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	113.1755	3.078	2	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8607	0.096	4	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9460	0.044	4	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0364	0.056	8	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0737	0.115	3	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9878	0.056	6	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5676	0.128	5	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0390	0.092	3	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0015	0.217	4	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0840	0.004	2	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6080	0.007	2	111.0112	0.336	99	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8889	0.172	14	110.9324	0.092	17	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1350	0.687	3	110.9324	0.092	17	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,6|C<4>}	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8160	0.017	2	110.8160	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1615	0.013	2	111.1615	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,6]C[5]H)	110.4292	0.080	4	110.8908	0.602	29	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3935	1.268	2	110.8908	0.602	29	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8075	0.053	2	110.8908	0.602	29	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8145	0.005	2	110.8908	0.602	29	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9985	0.030	2	110.8908	0.602	29	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0641	0.912	17	110.8908	0.602	29	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1330	0.021	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3330	0.017	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.6415	1.687	4	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1490	0.000	1	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	112.6770	1.730	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6380	0.000	1	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4725	0.023	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3852	0.243	4	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6520	0.000	1	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.2440	0.042	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.0888	0.210	5	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5090	0.297	5	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0437	1.872	6	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.9685	1.993	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.7040	0.543	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0270	0.000	1	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6590	0.014	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4850	0.028	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8907	0.059	4	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2000	0.000	1	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6803	0.041	4	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1265	0.028	2	110.9985	0.901	57	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7995	0.009	2	110.7995	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.2235	0.023	2	111.2235	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.3365	0.037	2	110.3365	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	112.1128	1.786	4	112.1128	3.190	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8270	0.073	4	110.8270	0.005	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8630	0.013	2	110.8630	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7020	0.018	2	110.7893	0.013	9	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7400	0.030	2	110.7893	0.013	9	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7050	0.069	2	110.7893	0.013	9	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.9367	0.035	3	110.7893	0.013	9	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|Ru<9>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1047	0.093	22	111.1047	0.009	22	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1575	4.302	4	111.1575	18.506	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.9500	0.063	8	110.9500	0.004	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.3563	0.206	4	111.0373	0.120	51	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.7812	0.085	8	111.0373	0.120	51	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.9380	0.369	2	111.0373	0.120	51	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.2228	0.613	11	111.0373	0.120	51	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9961	0.148	26	111.0373	0.120	51	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1315	0.006	2	111.1315	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.8075	0.028	2	110.8075	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|N<3>}	H(C[5]C[5,6]C[5]H)	110.6230	0.013	2	111.0625	2.061	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1085	0.036	2	111.0625	2.061	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.4560	3.099	2	111.0625	2.061	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1890	0.004	2	111.1141	1.508	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5,6]C[5]H)	111.0765	3.625	2	111.1141	1.508	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9255	0.091	2	111.1141	1.508	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.4685	0.015	2	111.1141	1.508	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9110	0.037	2	111.1141	1.508	10	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	113.3505	2.954	2	113.3505	8.724	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.2917	0.176	7	111.2917	0.031	7	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.8612	1.251	4	111.3160	1.246	7	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5890	0.019	3	111.3160	1.246	7	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.1580	0.011	2	111.1580	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9797	0.048	4	110.9797	0.002	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6587	0.267	12	110.6587	0.072	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.4625	0.016	2	111.0769	0.168	7	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3380	0.023	2	111.0769	0.168	7	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5945	0.011	2	111.0769	0.168	7	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.7480	0.000	1	111.0769	0.168	7	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|N<3>}	H(C[5]C[5,6]C[5]H)	110.6090	0.014	2	110.6090	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8710	0.000	1	110.8710	0.000	1	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.3350	0.000	1	110.3350	0.000	1	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5185	0.019	2	110.5048	0.005	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5750	0.007	2	110.5048	0.005	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4210	0.011	2	110.5048	0.005	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3780	0.030	2	110.3780	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6530	0.051	2	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4638	0.030	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.7127	0.131	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5590	0.127	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.8355	0.015	2	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6510	0.117	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6925	0.136	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3755	0.006	2	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5517	0.181	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8035	0.025	2	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.6460	0.015	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5281	0.226	11	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.8115	0.025	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4380	0.076	4	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6940	0.013	2	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6954	0.090	7	110.6173	0.028	64	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6253	0.186	3	110.7822	0.027	9	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9205	0.006	2	110.7822	0.027	9	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8307	0.089	4	110.7822	0.027	9	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.8365	0.030	2	110.8854	0.438	16	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.7068	0.148	5	110.8854	0.438	16	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7501	0.284	7	110.8854	0.438	16	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.8545	1.957	2	110.8854	0.438	16	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	H(C[5]C[5,6]C[5]H)	110.7376	0.349	15	110.7376	0.122	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.5150	0.068	2	110.5150	0.005	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.1453	0.124	3	110.1453	0.015	3	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9133	0.263	4	110.9133	0.069	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5540	0.000	1	110.5540	0.000	1	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0080	0.056	6	111.0080	0.003	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{3|C<3>}	H(C[5]C[5,6]C[5]H)	111.2155	0.004	2	111.2155	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8845	0.013	2	110.8150	0.015	3	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6760	0.000	1	110.8150	0.015	3	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8988	0.170	6	111.0362	0.085	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.4485	0.012	2	111.0362	0.085	8	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.2505	0.032	2	110.2505	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0940	0.006	2	111.0940	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5990	0.020	2	110.5990	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.2650	0.000	1	110.5846	0.041	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	110.6697	0.075	6	110.5846	0.041	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4792	0.170	4	110.5846	0.041	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|N<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6423	0.290	4	110.5846	0.041	15	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1795	0.019	2	111.1795	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7915	0.046	2	110.7915	0.002	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0970	0.031	2	111.0970	0.001	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5,6]C[5]H)	113.5340	3.275	2	111.0130	2.446	36	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8717	1.523	27	111.0130	2.446	36	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.1660	0.000	1	111.0130	2.446	36	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0760	0.071	2	111.0130	2.446	36	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3310	0.000	1	111.0130	2.446	36	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.8540	0.000	1	111.0130	2.446	36	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1800	0.027	2	111.0130	2.446	36	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0828	0.061	4	111.0828	0.004	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,6|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8190	1.107	2	110.8190	1.226	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5,6]C[5]H)	110.5955	0.103	2	110.5955	0.011	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.9130	1.055	16	110.9130	1.112	16	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.2630	0.011	2	111.2630	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.1792	0.147	4	111.1222	0.321	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.6675	1.527	2	111.1222	0.321	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|Fe<7>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.0975	0.035	2	111.1222	0.321	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.3120	0.038	2	111.1222	0.321	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.2975	0.757	2	111.1222	0.321	12	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	111.0727	0.014	4	111.0727	0.000	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7940	0.105	4	110.7940	0.011	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.8725	0.033	2	110.7873	0.751	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7020	1.491	2	110.7873	0.751	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9050	0.016	2	110.7858	0.194	23	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9093	0.344	8	110.7858	0.194	23	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7115	0.168	4	110.7858	0.194	23	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9725	0.025	2	110.7858	0.194	23	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1543	0.064	3	110.7858	0.194	23	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.6945	0.535	2	110.7858	0.194	23	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6735	0.036	2	110.7858	0.194	23	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8952	0.358	13	110.8769	0.132	18	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.2030	0.038	2	110.8769	0.132	18	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.3880	0.061	2	110.8769	0.132	18	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.9650	0.000	1	110.8769	0.132	18	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.0860	0.021	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	118.9470	6.548	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0484	0.867	32	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.2030	0.079	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.3450	0.028	4	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7623	0.076	6	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.8155	0.032	4	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7885	0.022	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8075	0.005	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,6]C[5]H)	110.7895	0.035	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.4865	1.609	6	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9659	0.114	10	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9786	0.087	5	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7420	0.008	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.0373	0.112	16	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7980	0.108	4	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8250	0.038	4	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.3235	0.006	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8300	0.004	2	111.1592	1.913	109	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1290	0.076	2	111.1290	0.006	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1590	0.047	2	111.1590	0.002	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1015	0.170	4	111.1015	0.029	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0810	0.016	2	111.0810	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0435	0.031	4	111.0435	0.001	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0330	0.010	2	111.0670	0.016	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.0840	0.159	4	111.0670	0.016	6	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0580	0.410	3	111.0580	0.168	3	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.8695	0.016	2	110.8695	0.000	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.2620	0.720	2	111.2620	0.518	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8445	0.039	2	110.8445	0.002	2	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2{1|H<1>,1|S<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4790	1.572	4	110.4790	2.472	4	111.0031	0.788	2292	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7910	0.016	2	110.7910	0.000	2	110.7910	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6875	0.026	2	110.6875	0.001	2	110.6977	1.474	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.8365	0.063	2	109.8365	0.004	2	110.6977	1.474	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.7200	3.076	2	111.7200	9.461	2	110.6977	1.474	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.8480	0.037	2	110.8480	0.001	2	110.6977	1.474	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3965	0.008	2	110.3965	0.000	2	110.6977	1.474	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.0815	0.276	2	110.0815	0.076	2	110.0137	0.084	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.9797	0.332	4	109.9797	0.110	4	110.0137	0.084	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2	H(C[5]C[5,6]C[5]I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]I)	104.1677	0.934	4	104.1677	0.872	4	104.1677	0.872	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.4908	1.019	4	109.4908	1.038	4	109.4908	1.038	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.3430	0.031	2	110.3430	0.001	2	110.3430	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2Br)	108.0468	0.411	4	108.0468	0.169	4	108.0468	0.169	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)2(Br)(H)	C[5](C[5]C[5]BrH)2(Br)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]BrH)2(Br)(H){2|Br<1>,2|H<1>}	C[5](C[5]C[5]BrH)2(Br)(H){2|Br<1>,2|H<1>}	H(C[5]C[5]2Br)	109.8319	1.332	9	109.8319	1.774	9	109.8319	1.774	9	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{4|C<4>}	H(C[5]C[5]2Br)	107.4060	0.000	1	107.4060	0.000	1	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H){4|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2Br)	111.3480	0.000	1	111.3480	0.000	1	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2Br)	107.5970	0.000	1	107.5970	0.000	1	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2Br)	112.0370	0.000	1	112.0370	0.000	1	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H){4|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	H(C[5]C[5]2Br)	109.0030	0.000	1	109.0030	0.000	1	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2Br)	110.8850	0.000	1	110.8850	0.000	1	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|O<2>}	H(C[5]C[5]2Br)	108.8980	0.715	3	108.8980	0.511	3	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2Br)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2Br)	111.8060	0.000	1	111.8060	0.000	1	109.6776	3.015	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2Cl)	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2Cl)	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2Cl)	110.2230	0.000	1	110.2230	0.000	1	110.9399	0.892	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H){1|C<2>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2Cl)	112.2670	0.000	1	112.2670	0.000	1	110.9399	0.892	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2Cl)	111.1912	0.207	5	111.1912	0.043	5	110.9399	0.892	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	H(C[5]C[5]2Cl)	109.0730	0.000	1	109.0730	0.000	1	110.9399	0.892	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H)	C[5](C[5]C[5]ClH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]ClH)(S[5]C[5]OO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2Cl)	110.0610	0.000	2	110.0610	0.000	2	110.0610	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2F)	111.8130	0.253	2	111.8130	0.064	2	111.7410	0.048	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2F)	111.5970	0.000	1	111.5970	0.000	1	111.7410	0.048	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)2(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	H(C[5]C[5]2F)	110.3820	1.489	2	110.3820	2.218	2	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2F)	112.0763	0.347	4	112.0763	0.121	4	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2F)	110.9128	1.350	4	110.9128	1.821	4	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2F)	113.0040	0.000	1	113.0040	0.000	1	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2F)	111.8170	0.000	1	111.6265	0.073	2	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2F)	111.4360	0.000	1	111.6265	0.073	2	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)2(F)(H)	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	H(C[5]C[5]2F)	110.5430	2.240	2	110.5430	5.018	2	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)2(F)(H)	C[5](C[5]C[5]FH)2(F)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	H(C[5]C[5]2F)	110.5340	2.270	2	110.5340	5.152	2	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	109.2660	0.000	1	109.2660	0.000	1	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	112.3200	0.000	1	112.3120	0.000	2	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	112.3040	0.000	1	112.3120	0.000	2	111.2511	1.819	20	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)2(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)2(H)2{2|F<1>,2|H<1>}	H(C[5]C[5]2F)	110.3805	1.507	2	110.3805	2.271	2	112.1280	4.707	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2F)	116.3400	0.000	1	113.4460	16.750	2	112.1280	4.707	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2F)	110.5520	0.000	1	113.4460	16.750	2	112.1280	4.707	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2F)	111.0743	0.514	3	112.3573	5.313	7	112.1280	4.707	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){4|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2F)	113.3195	2.751	4	112.3573	5.313	7	112.1280	4.707	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2F)	111.7655	0.282	2	111.7655	0.080	2	112.1280	4.707	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]2F)	112.1070	0.000	1	112.1070	0.000	1	112.1280	4.707	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2{4|H<1>}	H(C[5]C[5]2F)	111.0677	0.532	3	111.0677	0.283	3	112.3083	4.566	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2F)	111.9310	0.000	1	113.0526	6.003	5	112.3083	4.566	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){4|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2F)	113.3330	2.735	4	113.0526	6.003	5	112.3083	4.566	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2{4|C<4>}	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2{4|H<1>,6|C<4>}	H(C[5]C[5]2H)	112.6470	0.840	2	112.6470	0.706	2	112.6470	0.706	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2{2|C<3>,2|H<1>}	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|P<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.5495	0.016	2	110.5495	0.000	2	110.2425	0.163	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.6350	0.047	2	110.6350	0.002	2	110.2425	0.163	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.0885	0.006	2	109.8928	0.051	4	110.2425	0.163	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	109.6970	0.007	2	109.8928	0.051	4	110.2425	0.163	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,3x5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,3x5,3x6]HH)2(H)2	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,3x5,3x6]HH)2(H)2{2|B<5>,2|B<6>}	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2{1|B<7>,2|B<5>,3|B<6>,4|H<1>}	H(C[5]C[5]2H)	110.0763	0.028	4	110.0763	0.001	4	110.0763	0.001	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,4,4,5,4x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2{5|B<6>}	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2{4|H<1>,6|B<6>}	H(C[5]C[5]2H)	111.6460	0.027	2	111.6460	0.001	2	111.6460	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|B<5>,3|B<6>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{1|Sn<5>,1|B<5>,4|B<6>,4|H<1>}	H(C[5]C[5]2H)	111.0445	0.045	2	111.1012	0.005	4	111.1012	0.005	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|B<5>,3|B<6>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[5]2H)	111.1580	0.016	2	111.1012	0.005	4	111.1012	0.005	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,5]HH)2(H)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,5]HH)2(H)2{1|C<4>,2|C<3>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0440	0.011	2	109.9093	0.024	4	109.8894	0.020	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,5]HH)2(H)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,5]HH)2(H)2{1|C<4>,2|C<3>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	109.7745	0.009	2	109.9093	0.024	4	109.8894	0.020	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,5]HH)2(H)2	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,5]HH)2(H)2{1|C<4>,2|C<3>}	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2{2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.8695	0.147	4	109.8695	0.021	4	109.8894	0.020	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8600	0.023	2	110.8600	0.001	2	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4865	0.013	2	110.4865	0.000	2	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9315	1.198	8	110.9315	1.435	8	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8440	0.870	2	110.8440	0.756	2	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8440	0.006	2	110.8440	0.000	2	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[3,5,6]C[3,6,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>}	C[5](C[3,5,6]C[3,6,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.8095	0.043	2	110.8095	0.002	2	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8860	0.017	2	110.8860	0.000	2	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.2077	0.046	3	111.2077	0.002	3	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)2(H)2	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)2(H)2{1|C<4>,2|C<3>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{1|F<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3898	0.026	4	110.1966	0.057	8	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)2(H)2	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)2(H)2{1|C<4>,2|C<3>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{2|Cl<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0035	0.181	4	110.1966	0.057	8	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)2(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)2(H)2{1|O<2>,2|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5947	0.027	3	110.5947	0.001	3	110.7027	0.448	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H){1|N<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7650	0.038	2	110.7650	0.001	2	110.7650	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	109.5265	2.324	2	109.5265	5.402	2	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.3670	0.240	4	110.3670	0.058	4	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.5458	0.261	19	110.5458	0.068	19	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.5303	0.323	6	110.5303	0.104	6	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6035	0.019	2	110.6035	0.000	2	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	107.8680	1.137	2	107.8680	1.293	2	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.6360	0.000	1	110.4150	0.041	5	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2005	0.015	2	110.4150	0.041	5	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.5190	0.049	2	110.4150	0.041	5	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6799	0.134	7	110.6799	0.018	7	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.0627	1.485	6	110.0627	2.204	6	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.7060	0.000	1	110.7060	0.000	1	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,7|H<1>}	H(C[5]C[5]2H)	111.0203	0.053	4	111.0203	0.003	4	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|H<1>}	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2{1|C<4>,1|W<6>,4|H<1>}	H(C[5]C[5]2H)	110.9911	0.164	8	110.9911	0.027	8	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.7015	2.864	4	111.7015	8.205	4	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.0675	0.848	2	110.9585	1.774	6	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.4040	1.387	4	110.9585	1.774	6	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8555	1.398	2	111.2191	0.736	10	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.4305	0.648	4	111.2191	0.736	10	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1895	0.993	4	111.2191	0.736	10	110.6476	1.069	86	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	H(C[5]C[5]2H)	110.8345	0.006	2	110.8345	0.000	2	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1935	0.106	4	110.1935	0.011	4	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4795	0.006	2	110.4317	0.016	4	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{3|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.3840	0.194	2	110.4317	0.016	4	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.8745	0.094	2	111.8745	0.009	2	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0743	0.136	4	110.0743	0.019	4	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2{1|N<2>,2|C<4>}	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2830	0.037	2	110.2830	0.001	2	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3875	0.047	2	110.3377	0.005	4	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.2880	0.038	2	110.3377	0.005	4	110.4606	0.259	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.1605	0.132	4	110.1605	0.017	4	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	113.8940	5.298	2	113.0270	16.288	3	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[5]C[5]2H)	111.2930	0.000	1	113.0270	16.288	3	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5]2H)	110.9880	0.008	2	110.9880	0.000	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9245	0.036	2	110.9245	0.001	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	112.0000	0.781	2	106.1328	144.572	4	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{4|C<4>}	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5]2H)	100.2656	17.188	2	106.1328	144.572	4	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.2032	0.121	4	111.2032	0.015	4	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<2>,1|N<3>,2|C<3>}	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.2300	0.038	2	111.2300	0.001	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	113.5475	2.790	2	113.5475	7.782	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.0015	0.021	2	111.0015	0.000	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.1900	0.063	8	111.1900	0.004	8	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6030	0.021	2	110.6030	0.000	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2{2|C<4>}	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5]2H)	111.0365	0.791	2	111.0365	0.626	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{2|C<4>,2|O<2>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]2H)	111.0880	0.051	2	111.2207	0.011	6	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.2870	0.025	4	111.2207	0.011	6	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{4|N<3>}	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.3107	0.887	47	110.3107	0.786	47	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{1|C<3>,3|O<2>}	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7990	0.011	2	110.9465	0.029	4	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{2|C<4>,2|O<2>}	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.0940	0.027	2	110.9465	0.029	4	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{1|C<3>,3|O<2>}	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.6610	0.072	2	110.6610	0.005	2	110.5654	6.733	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,4,5]HH)2(H)2	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,4,5]HH)2(H)2{2|C<3>,2|C<4>}	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.5790	2.905	4	111.5790	8.442	4	111.5790	8.442	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7727	0.031	3	110.7727	0.001	3	110.9108	0.030	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2	C[5](C[4,5,5]C[4,5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5,5]C[4,5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0885	0.011	2	111.0885	0.000	2	110.9108	0.030	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[4,5,5]C[4,5]C[5,5]O[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5,5]C[4,5]C[5,5]O[4])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1290	0.034	2	111.1290	0.001	2	110.9108	0.030	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HH)2(H)2	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)2(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8100	0.000	1	110.8100	0.000	1	110.9108	0.030	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HH)2(H)2	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)2(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7725	0.043	2	110.7725	0.002	2	110.9108	0.030	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6,6]HH)2(H)2	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8910	0.034	4	109.8910	0.001	4	109.8910	0.001	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,3|C<4>}	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.3295	0.028	2	111.0429	0.052	7	110.5709	13.811	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,3|C<4>}	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.9282	0.144	5	111.0429	0.052	7	110.5709	13.811	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HH)2(H)2	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HH)2(H)2{4|C<3>}	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2{1|C<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1580	5.211	8	110.1580	27.159	8	110.5709	13.811	15	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1575	0.046	2	111.1575	0.002	2	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9510	0.017	2	110.9510	0.000	2	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2957	0.019	3	111.2957	0.000	3	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9380	0.014	2	110.9380	0.000	2	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.7956	0.081	5	110.7956	0.007	5	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8455	0.019	2	110.8455	0.000	2	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2{1|Si<4>,1|C<3>,2|C<4>}	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3140	0.034	2	111.3140	0.001	2	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6015	0.028	2	110.6015	0.001	2	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<3>,2|H<1>}	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2{1|Li<4>,1|B<4>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7295	0.276	4	110.7295	0.076	4	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.9580	0.179	6	110.9580	0.032	6	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	109.5495	1.576	4	110.1824	1.533	8	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9515	0.013	2	110.1824	1.533	8	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.6790	0.017	2	110.1824	1.533	8	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.4778	2.132	4	110.6501	1.991	8	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9415	0.008	2	110.6501	1.991	8	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7035	0.023	2	110.6501	1.991	8	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8765	0.008	2	110.8765	0.000	2	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9970	0.000	1	110.9380	0.002	5	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.9540	0.021	2	110.9380	0.002	5	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8925	0.008	2	110.9380	0.002	5	110.7783	0.582	53	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2{5|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1705	0.118	2	110.1705	0.014	2	110.1705	0.014	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5650	2.652	4	110.5650	7.032	4	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4005	0.045	2	110.4005	0.002	2	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.2895	0.049	2	110.2895	0.002	2	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.1140	0.065	2	110.1140	0.004	2	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.6650	0.412	4	110.6650	0.170	4	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6900	0.047	2	110.8698	0.126	25	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.8855	0.366	23	110.8698	0.126	25	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.0690	1.624	2	111.0690	2.636	2	110.7418	0.737	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<2>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5240	0.014	2	110.5240	0.000	2	111.0908	0.086	11	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2497	0.036	3	111.2904	0.004	5	111.0908	0.086	11	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|S<4>,2|C<4>}	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3515	0.049	2	111.2904	0.004	5	111.0908	0.086	11	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)2(H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.1155	0.018	2	111.1155	0.000	2	111.0908	0.086	11	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)2(H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.1340	0.016	2	111.1340	0.000	2	111.0908	0.086	11	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.8458	0.635	4	110.8458	0.403	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,6|C<4>}	H(C[5]C[5]2H)	110.2007	0.181	4	110.2007	0.033	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	111.8370	0.072	2	111.8370	0.005	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.1167	0.104	3	110.2172	0.058	5	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3680	0.365	2	110.2172	0.058	5	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1680	0.204	2	110.1680	0.041	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[3,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[3,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	111.2970	0.000	1	111.2970	0.000	1	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]2H)	111.3360	1.640	2	111.2897	1.334	10	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	111.2781	1.153	8	111.2897	1.334	10	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2536	0.079	5	111.1851	0.018	7	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.0140	0.033	2	111.1851	0.018	7	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	111.2898	0.137	13	111.2898	0.019	13	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2{2|O<2>,5|C<4>}	H(C[5]C[5]2H)	111.0030	0.000	1	111.0030	0.000	1	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1450	0.000	1	110.8402	0.045	10	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9692	0.032	5	110.8402	0.045	10	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6028	0.031	4	110.8402	0.045	10	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7485	0.005	2	110.7485	0.000	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.3092	0.028	4	111.3092	0.001	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8970	0.038	2	110.9900	0.010	5	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0520	0.062	3	110.9900	0.010	5	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{3|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.2002	0.021	4	111.2002	0.000	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,3|O<2>}	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0880	0.000	2	111.0880	0.000	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4685	2.217	2	111.1641	0.667	12	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.3032	0.374	10	111.1641	0.667	12	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1033	0.051	4	111.1033	0.003	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0495	0.021	2	110.9696	0.061	22	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9729	0.152	14	110.9696	0.061	22	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2270	0.025	2	110.9696	0.061	22	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.1970	0.007	2	110.9696	0.061	22	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3815	0.221	2	110.9696	0.061	22	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	108.6370	0.725	2	108.6370	0.526	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6082	0.347	4	110.6082	0.121	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2{1|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.3890	0.147	3	110.3890	0.022	3	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.2240	0.049	6	110.2240	0.002	6	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5]2H)	109.9145	0.023	2	109.9145	0.001	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.6523	0.379	10	110.6523	0.144	10	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2219	0.126	7	111.2219	0.016	7	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.5005	2.076	4	110.6488	0.920	20	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3215	0.011	2	110.6488	0.920	20	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[5]C[5]2H)	110.4750	0.296	11	110.6488	0.920	20	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<3>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3690	0.040	3	110.6488	0.920	20	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6365	0.060	2	110.8600	0.068	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0835	0.032	2	110.8600	0.068	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.1605	0.063	2	111.1605	0.004	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7182	0.343	4	110.7182	0.117	4	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	112.7485	1.255	2	112.7485	1.575	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9815	0.026	2	110.9815	0.001	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8075	0.084	2	110.8075	0.007	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8580	0.058	4	110.8505	0.002	8	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8430	0.028	4	110.8505	0.002	8	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6625	0.035	2	110.6625	0.001	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(H)2	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6210	0.045	2	110.6210	0.002	2	110.8852	0.434	196	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H){1|N<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1540	0.040	2	111.1540	0.002	2	110.8833	0.098	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6125	0.008	2	110.6125	0.000	2	110.8833	0.098	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(Cl)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(Cl)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.4280	0.017	2	111.4280	0.000	2	111.4280	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	111.0445	0.025	2	111.2260	0.037	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3167	0.168	4	111.2260	0.037	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{4|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	117.6920	10.635	2	117.6920	113.101	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.2345	0.121	4	111.2345	0.015	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<2>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2620	0.000	1	111.2620	0.000	1	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1330	0.021	2	111.1330	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.9160	0.027	2	111.1120	2.112	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]2H)	112.1735	0.088	2	111.1120	2.112	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.9678	1.626	12	111.1120	2.112	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0021	0.101	14	110.9407	0.037	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5110	0.010	2	110.9407	0.037	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9035	0.025	2	111.0395	0.025	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	111.1755	0.026	2	111.0395	0.025	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3252	1.228	4	110.9871	0.361	32	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.7173	0.356	6	110.9871	0.361	32	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.1063	0.048	3	110.9871	0.361	32	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2492	0.577	9	110.9871	0.361	32	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1920	0.194	7	110.9871	0.361	32	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0250	0.022	3	110.9871	0.361	32	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3028	0.026	4	111.3028	0.001	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,3|O<2>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0695	0.027	4	111.0695	0.001	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7186	0.019	5	111.5646	3.490	7	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	113.6795	2.901	2	111.5646	3.490	7	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.7085	0.011	2	110.7085	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.7205	0.012	2	110.7205	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2175	0.069	2	111.2175	0.005	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7740	0.016	2	111.0015	0.074	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.3475	0.013	2	111.0015	0.074	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8830	0.007	2	111.0015	0.074	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.8710	0.000	1	110.8710	0.000	1	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.8720	3.722	2	111.8720	13.855	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0570	0.088	2	111.0570	0.008	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3155	0.023	2	111.3155	0.001	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.1230	0.000	1	110.5495	0.085	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<3>,4|C<4>}	H(C[5]C[5]2H)	110.6917	0.082	3	110.5495	0.085	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9450	0.000	1	110.9450	0.000	1	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.4800	0.013	2	111.2935	0.022	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2002	0.042	4	111.2935	0.022	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.3715	0.049	2	111.1058	0.095	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.8400	0.040	2	111.1058	0.095	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3675	0.033	2	110.4437	0.009	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[5]C[5]2H)	110.5200	0.062	2	110.4437	0.009	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.3882	0.103	4	110.3882	0.011	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3222	0.353	4	111.3222	0.125	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]2H)	110.9895	0.154	4	110.9895	0.024	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7730	0.075	2	110.7730	0.006	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9140	0.076	4	110.9140	0.006	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.6557	0.230	4	110.6557	0.053	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2070	0.011	2	111.2070	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5740	0.035	2	110.5138	0.005	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4535	0.011	2	110.5138	0.005	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{2|H<1>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5593	0.216	3	110.5593	0.047	3	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3650	0.000	1	110.3650	0.000	1	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4248	0.079	4	110.4248	0.006	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8468	0.128	4	110.8768	0.011	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8365	0.018	2	110.8768	0.011	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.9770	0.000	2	110.8768	0.011	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5]2H)	109.9507	0.535	11	110.1374	0.239	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<1>,5|H<1>}	H(C[5]C[5]2H)	109.9885	0.153	4	110.1374	0.239	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5105	0.023	2	110.1374	0.239	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6132	0.248	4	110.1374	0.239	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5654	0.069	5	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1672	0.214	4	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0620	0.196	3	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4118	0.342	11	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6180	0.396	4	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5805	0.052	2	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5]2H)	110.4527	0.053	3	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4450	0.031	2	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4680	0.217	4	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5260	0.008	2	110.6004	0.116	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.9520	0.034	2	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5]2H)	110.2053	0.433	4	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.1753	0.735	4	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4965	0.059	8	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5001	0.256	9	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[5]C[5]2H)	110.9915	0.461	4	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5526	0.108	10	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0445	0.054	2	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	109.7413	0.232	4	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.1895	0.239	4	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,8|H<1>}	H(C[5]C[5]2H)	110.6283	0.058	11	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	111.1267	0.053	3	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7045	0.577	4	110.5842	0.189	69	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	112.6557	2.839	4	111.3484	5.419	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.0410	0.163	4	111.3484	5.419	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.2428	2.464	4	110.2428	6.071	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.4674	1.457	5	110.4872	0.924	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3472	0.805	35	110.4872	0.924	40	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8471	0.297	8	110.8471	0.088	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6813	0.652	4	110.3426	0.320	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.2459	0.525	14	110.3426	0.320	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]2H)	110.6785	0.028	2	110.6785	0.001	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2{1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.9223	0.198	4	110.9223	0.039	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.8495	0.078	8	110.8495	0.006	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4185	0.081	2	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5]2H)	110.2380	0.000	1	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6125	0.191	4	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5840	0.057	2	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7940	0.016	2	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5975	0.006	2	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.3270	0.000	1	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2752	0.057	4	110.7724	0.131	18	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6875	0.006	2	110.6875	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.0028	0.256	10	111.0515	0.046	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.2320	0.014	2	111.0515	0.046	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0830	0.037	4	111.0515	0.046	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7365	0.122	4	110.7365	0.015	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	112.4510	0.027	2	112.4510	0.001	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,3|H<1>}	H(C[5]C[5]2H)	110.1172	0.274	8	110.4867	0.160	35	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1637	0.064	4	110.4867	0.160	35	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4892	0.406	12	110.4867	0.160	35	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.6765	0.005	2	110.4867	0.160	35	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4379	0.099	7	110.4867	0.160	35	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5775	0.012	2	110.4867	0.160	35	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.6690	0.038	2	111.6410	4.581	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	112.1270	2.587	4	111.6410	4.581	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8150	0.011	2	110.8150	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8015	0.028	2	111.1000	0.657	25	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5026	0.303	5	111.1000	0.657	25	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.2991	0.865	18	111.1000	0.657	25	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5765	0.042	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.2523	0.105	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6320	0.431	3	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.7280	0.875	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.8130	0.000	1	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6905	0.036	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	112.0603	3.822	3	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2660	0.011	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1985	0.053	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6552	0.223	5	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6495	0.049	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.2378	0.529	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	112.6205	2.501	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.9670	0.024	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5]C[5]2H)	111.1980	1.129	9	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6127	0.237	38	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|S<4>,4|H<1>}	H(C[5]C[5]2H)	110.1990	0.000	1	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|B<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|B<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3055	0.011	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9360	0.010	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7615	0.067	8	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9383	0.461	84	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.6243	0.339	6	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	112.9665	4.890	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3039	0.103	15	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0355	0.005	2	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0606	0.283	14	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7785	0.731	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7712	0.515	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.5690	4.067	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.7428	0.549	4	110.8475	0.814	239	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5]2H)	110.8930	0.034	2	110.8930	0.001	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0195	0.012	2	111.0195	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	108.5510	3.305	2	110.2306	3.227	7	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9024	0.368	5	110.2306	3.227	7	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5]2H)	110.8563	0.014	6	110.8563	0.000	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	111.1420	0.118	3	111.1420	0.014	3	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.1145	0.039	2	111.1145	0.002	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8475	0.042	2	110.9858	0.025	5	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0780	0.130	3	110.9858	0.025	5	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6570	0.285	5	110.6570	0.081	5	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.2780	0.338	2	110.9804	0.083	12	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7906	0.179	7	110.9804	0.083	12	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2250	0.009	3	110.9804	0.083	12	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.6230	0.052	2	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.2925	0.009	2	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5590	0.523	4	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.1455	0.009	2	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5055	0.036	2	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5973	0.114	4	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0695	0.015	2	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7140	0.000	1	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0150	0.040	2	110.7924	0.123	21	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.4560	0.019	4	111.4560	0.000	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1553	0.084	6	111.1553	0.007	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.7255	0.053	2	110.9051	0.017	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.9650	0.078	6	110.9051	0.017	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0935	0.012	2	111.0935	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	112.0660	1.066	2	112.0660	1.137	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1405	0.214	10	111.1405	0.046	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2{2|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.9500	0.044	2	110.9500	0.002	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	110.8565	1.419	4	110.8565	2.012	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	111.0600	0.131	4	109.8782	23.832	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7220	0.008	2	109.8782	23.832	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	106.6707	11.798	2	109.8782	23.832	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4201	0.156	7	110.4201	0.024	7	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.2770	2.804	2	109.2770	7.865	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6165	1.576	4	111.0142	4.273	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.8095	3.467	2	111.0142	4.273	6	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.5365	0.029	2	111.0352	0.058	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	111.1550	0.037	2	111.0352	0.058	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1012	0.052	4	111.0352	0.058	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.0585	0.265	2	111.0352	0.058	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1097	0.209	6	111.0352	0.058	16	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.7160	2.960	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	113.0012	5.549	4	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0925	0.026	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0175	0.265	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.7865	0.821	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	112.4355	1.610	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.1785	0.022	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.5890	0.931	7	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.0515	0.046	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	H(C[5]C[5]2H)	111.1160	0.000	1	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5]2H)	110.0310	0.331	7	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5645	0.011	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.3180	0.007	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4475	0.164	8	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.3265	0.016	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.8958	0.187	10	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3270	0.025	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	115.0970	2.150	2	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3307	0.141	4	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3327	0.032	3	110.9727	2.856	68	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.4280	0.023	2	111.1669	0.043	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2635	0.019	2	111.1669	0.043	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9880	0.081	4	111.1669	0.043	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]Rh)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Rh<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Rh)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2525	0.152	8	110.2525	0.023	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Ru<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2{1|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5225	0.031	4	110.4765	0.004	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Ru<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4458	0.061	6	110.4765	0.004	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{3|C<3>}	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4105	0.140	12	110.4105	0.020	12	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0500	0.010	2	111.0500	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1560	0.000	1	110.6995	0.869	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6343	0.987	7	110.6995	0.869	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Se<2>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2{1|Se<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3085	0.009	2	111.3085	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.9610	0.894	2	111.0114	0.178	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.0885	0.177	4	111.0114	0.178	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.3675	0.013	2	111.0114	0.178	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5515	0.036	2	111.0114	0.178	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0695	0.009	2	110.6016	2.284	20	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.1948	2.705	6	110.6016	2.284	20	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0635	0.026	2	110.6016	2.284	20	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.8800	0.289	4	110.6016	2.284	20	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2188	0.265	4	110.6016	2.284	20	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	H(C[5]C[5]2H)	111.1005	0.234	2	110.6016	2.284	20	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.3850	0.013	2	111.3205	0.006	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2560	0.008	2	111.3205	0.006	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6585	0.023	2	111.0541	0.044	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1530	0.016	8	111.0541	0.044	10	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.9095	0.446	2	110.9095	0.199	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Se<2>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]Se[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.2725	0.012	2	111.2725	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9855	0.061	4	110.9855	0.004	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	111.2165	0.055	8	111.2165	0.003	8	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8845	0.268	2	109.8845	0.072	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	111.1345	0.022	2	111.1345	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.8355	0.022	2	110.8355	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5]2H)	111.4533	0.119	3	111.4533	0.014	3	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|In<5>,1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6370	0.018	2	110.6370	0.000	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4207	0.123	4	110.4207	0.015	4	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2{2|Si<4>,1|C<3>,1|N<3>}	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2{4|Si<4>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	109.4495	0.042	2	109.4495	0.002	2	110.8236	1.132	1088	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0365	1.339	2	110.1925	0.964	4	110.1925	0.964	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3485	1.002	2	110.1925	0.964	4	110.1925	0.964	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.4340	0.020	2	110.4340	0.000	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.2265	0.009	2	110.2265	0.000	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1335	0.008	2	110.2142	0.004	6	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2420	0.023	2	110.2142	0.004	6	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2670	0.013	2	110.2142	0.004	6	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	109.9815	0.029	2	109.9815	0.001	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1450	0.031	2	111.1450	0.001	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.7080	0.031	2	110.7080	0.001	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.5255	0.035	2	110.5255	0.001	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.9070	0.000	1	110.9070	0.000	1	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7970	0.040	2	110.7970	0.002	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3610	0.007	2	111.3610	0.000	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.4060	0.000	1	110.6882	0.304	21	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.2370	0.080	3	110.6882	0.304	21	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|N<3>,6|H<1>}	H(C[5]C[5]2H)	110.6079	0.558	17	110.6882	0.304	21	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2800	0.000	1	110.4990	0.096	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{3|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{4|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.7180	0.000	1	110.4990	0.096	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3715	0.008	2	111.3715	0.000	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2430	0.045	2	111.2430	0.002	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1360	0.000	1	111.1696	0.006	5	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1780	0.089	4	111.1696	0.006	5	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1560	0.077	6	111.1654	0.005	8	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1935	0.015	2	111.1654	0.005	8	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4135	0.043	2	110.3520	0.004	16	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3432	0.058	14	110.3520	0.004	16	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1130	0.014	2	110.1130	0.000	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.9975	0.005	2	109.9975	0.000	2	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3603	0.045	15	110.3603	0.002	15	110.6087	0.203	98	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.5550	0.132	6	110.5550	0.017	6	110.5550	0.017	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{3|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.1150	0.000	1	110.1150	0.000	1	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1835	0.057	2	111.1835	0.003	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1060	0.039	4	111.1060	0.002	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.8590	1.028	8	110.8081	0.804	14	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.3900	0.064	2	110.8081	0.804	14	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.9153	0.937	4	110.8081	0.804	14	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.8672	0.241	4	110.8672	0.058	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3565	0.023	2	110.3565	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4325	0.005	2	110.7123	3.778	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7823	2.198	8	110.7123	3.778	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	108.1495	3.154	4	110.1981	5.008	12	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2224	0.091	8	110.1981	5.008	12	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.3522	0.058	4	110.3522	0.003	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5457	0.408	3	110.5226	0.091	9	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5110	0.279	6	110.5226	0.091	9	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	113.0420	2.086	2	113.0420	4.351	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.4195	0.006	2	110.4195	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	111.3610	0.035	2	110.8920	0.113	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.7995	0.005	2	110.8920	0.113	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.9235	0.008	2	110.8920	0.113	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4840	0.018	2	110.8920	0.113	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5505	0.019	2	110.5505	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5410	0.082	2	110.5410	0.007	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.3850	0.013	2	110.3850	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1570	0.058	2	110.2038	0.016	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.0730	0.030	2	110.2038	0.016	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3610	0.000	1	110.2038	0.016	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2368	0.131	6	110.2038	0.016	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.7730	0.106	3	110.7730	0.011	3	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	109.4905	0.699	2	109.4905	0.489	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.3710	0.025	2	110.3710	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3868	0.125	4	110.3868	0.016	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2150	0.008	2	110.2150	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.1230	0.314	2	110.4675	5.160	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3000	1.275	3	110.4675	5.160	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.2930	0.000	1	110.4675	5.160	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.1590	0.000	1	110.4675	5.160	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.4132	3.391	6	110.4675	5.160	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.6775	2.512	2	111.0048	2.247	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	111.3320	0.011	2	111.0048	2.247	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.5620	0.130	2	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2985	0.183	28	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	109.8808	0.496	6	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.1105	0.133	4	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4532	0.072	4	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.2474	0.137	11	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.1735	0.011	2	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.1553	0.079	3	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.4710	0.926	22	110.3039	0.279	82	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2845	0.068	8	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2281	0.120	10	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.2915	0.006	2	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.4685	0.066	2	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.8900	1.294	4	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.5400	0.071	4	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.3983	0.103	4	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.4691	1.036	74	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.8480	1.183	8	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.3230	0.133	2	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.3861	0.724	523	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6245	0.012	2	110.4024	0.577	643	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	111.2097	0.052	4	110.7540	1.202	25	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6760	0.637	11	110.7540	1.202	25	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6821	1.843	8	110.7540	1.202	25	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.5585	0.077	2	110.7540	1.202	25	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3630	0.168	8	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6530	0.116	2	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1463	0.055	4	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.2015	0.013	2	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.2897	0.065	7	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3790	0.052	4	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3772	0.171	20	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1743	0.237	4	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6152	0.093	6	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.3635	0.040	2	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.1875	0.011	2	110.4226	0.068	61	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.1540	0.004	2	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9905	0.240	2	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3342	0.074	4	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6705	0.078	4	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2858	0.165	22	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2482	0.062	6	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.3389	0.044	8	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.4812	0.040	6	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.0945	0.006	2	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6410	0.000	1	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5590	0.098	4	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.9695	0.047	2	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9995	0.206	4	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.4875	0.016	2	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	109.5945	1.119	2	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.3038	0.037	4	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.3748	0.064	5	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.1805	0.089	4	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7274	1.514	16	110.4230	0.439	100	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	111.1645	0.028	2	111.1645	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1710	1.382	4	110.8536	1.113	7	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4303	0.077	3	110.8536	1.113	7	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3275	0.012	4	110.3275	0.000	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5]2H)	110.3320	0.014	2	110.3320	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	109.9310	0.047	2	109.9310	0.002	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.8360	0.013	2	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.5641	0.357	8	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.3805	0.070	4	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.4467	1.045	104	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2H)	110.3845	0.011	2	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.5841	0.972	26	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.3178	0.268	4	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.2643	0.440	86	110.3988	0.668	236	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.6340	0.038	2	110.3607	0.100	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.0875	0.029	2	110.3607	0.100	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.3215	0.093	15	110.3288	0.020	19	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.3563	0.276	4	110.3288	0.020	19	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.9865	0.469	4	109.9865	0.220	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2710	0.059	2	110.2710	0.004	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	110.2190	0.033	2	110.2190	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,6|C<4>}	H(C[5]C[5]2H)	110.3740	0.010	2	110.3740	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.4214	0.103	11	110.4232	0.023	57	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.4633	0.172	4	110.4232	0.023	57	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2523	0.052	4	110.4232	0.023	57	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.4449	0.161	36	110.4232	0.023	57	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.3050	0.023	2	110.4232	0.023	57	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.5265	0.030	2	110.6007	0.006	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.6377	0.063	4	110.6007	0.006	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.4986	0.320	23	110.4986	0.103	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6400	0.048	2	110.6400	0.002	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.2752	0.054	4	110.2490	0.004	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.1965	0.040	2	110.2490	0.004	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.2405	0.641	2	111.2405	0.411	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.3935	0.330	2	110.3935	0.109	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.5330	0.010	2	110.5330	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3413	0.088	3	110.5170	0.129	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.0440	0.000	1	110.5170	0.129	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|I<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.7857	0.127	8	110.7857	0.016	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7160	0.035	3	110.7160	0.001	3	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.7495	0.076	2	110.7495	0.006	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.5015	0.206	6	110.5015	0.042	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9560	1.785	4	110.7829	0.907	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.7060	0.380	9	110.7829	0.907	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5630	0.024	2	110.6593	1.077	123	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.1470	0.027	2	110.6593	1.077	123	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.5944	0.116	12	110.6593	1.077	123	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6779	1.110	107	110.6593	1.077	123	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.9175	1.483	6	109.9175	2.199	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[5]C[5]2H)	110.3432	0.064	4	110.4213	0.095	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2150	0.025	4	110.4213	0.095	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9900	0.006	2	110.4213	0.095	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.9128	0.097	4	110.7387	0.146	28	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5725	0.022	2	110.7387	0.146	28	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	111.0635	0.006	2	110.7387	0.146	28	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5940	0.000	1	110.7387	0.146	28	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5685	0.052	2	110.7387	0.146	28	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7076	0.462	17	110.7387	0.146	28	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.5275	0.018	2	110.5275	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3016	0.433	13	110.3016	0.188	13	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5]2H)	110.6115	0.005	2	110.6115	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3200	0.048	2	111.0264	0.074	5	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7955	0.012	2	111.0264	0.074	5	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.9010	0.000	1	111.0264	0.074	5	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.8495	0.021	2	110.8495	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|S<2>,3|C<3>}	H(C[5]C[5]2H)	110.8540	0.029	4	110.8540	0.001	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.2485	0.030	2	110.6690	1.419	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.1390	0.018	2	110.6690	1.419	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.8730	0.032	3	110.6690	1.419	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4913	2.093	4	110.6690	1.419	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[5]C[5]2H)	110.7275	1.692	4	110.7275	2.864	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.7940	0.229	4	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.9885	0.006	2	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5015	0.012	4	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5]2H)	111.1870	0.020	3	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	109.4040	1.023	4	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7788	0.467	13	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.8610	0.059	4	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	H(C[5]C[5]2H)	110.8440	0.045	2	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9430	0.024	2	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0670	0.172	3	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5]2H)	110.9295	0.091	2	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.7490	0.000	1	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]2H)	109.7415	0.045	4	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5]2H)	110.2322	0.213	4	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.6673	0.183	3	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,8|H<1>}	H(C[5]C[5]2H)	110.4255	0.182	8	110.5808	0.312	63	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,6|H<1>}	H(C[5]C[5]2H)	110.5413	0.624	4	110.4069	0.162	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.2210	0.143	4	110.4069	0.162	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5100	0.011	2	110.4069	0.162	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.2292	0.172	5	110.5808	0.093	17	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7155	0.032	2	110.5808	0.093	17	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.7106	0.255	8	110.5808	0.093	17	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8060	0.151	2	110.5808	0.093	17	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.6235	0.352	14	110.6235	0.124	14	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.0460	0.132	4	110.0460	0.017	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6155	0.035	2	110.8211	0.057	16	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9880	0.128	6	110.8211	0.057	16	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9195	0.074	4	110.8211	0.057	16	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.5752	0.274	4	110.8211	0.057	16	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8817	0.517	4	110.8817	0.268	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.2945	0.060	2	110.2945	0.004	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.7697	0.065	6	110.7697	0.004	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.5185	1.206	2	111.1435	0.674	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7685	0.073	2	111.1435	0.674	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9056	0.184	9	110.8165	0.056	15	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9785	0.033	2	110.8165	0.056	15	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6545	0.088	2	110.8165	0.056	15	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4155	0.019	2	110.8165	0.056	15	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	111.0745	0.005	2	111.0745	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.8110	0.341	4	110.6975	0.193	53	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5445	0.175	10	110.6975	0.193	53	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7513	0.076	3	110.6975	0.193	53	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0028	0.817	12	110.6975	0.193	53	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5830	0.117	24	110.6975	0.193	53	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5376	0.130	5	110.5376	0.017	5	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{3|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]2H)	111.0155	0.030	2	111.0155	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3474	0.510	5	110.3857	0.217	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5770	0.000	1	110.3857	0.217	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0485	0.066	2	110.7124	0.070	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(C[5]C[5]2H)	110.7169	0.296	7	110.7124	0.070	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5685	0.098	4	110.7124	0.070	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5435	0.705	2	110.7124	0.070	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7210	0.082	2	110.7124	0.070	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6915	0.039	2	110.7124	0.070	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7710	0.175	4	110.7124	0.070	23	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8660	0.013	2	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.9723	0.129	3	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8137	0.040	4	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.5890	1.079	6	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9826	0.190	14	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5]2H)	110.2090	0.000	1	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9285	0.848	32	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7670	0.024	2	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5240	0.055	2	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	102.8995	3.627	2	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5357	0.262	6	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.7020	0.017	2	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7738	0.097	10	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6542	0.066	6	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7782	0.028	4	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3010	0.017	2	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.4495	0.066	2	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.2175	0.689	4	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5350	0.000	1	110.7219	1.685	105	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8520	0.008	2	110.8520	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7843	0.250	4	110.7843	0.063	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5220	0.030	4	110.5220	0.001	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7715	0.083	4	110.7437	0.006	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6880	0.018	2	110.7437	0.006	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7545	0.035	2	110.7545	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9110	0.098	2	110.9110	0.010	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8650	0.000	1	110.8650	0.000	1	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7090	0.042	2	110.7090	0.002	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.8544	1.486	28	111.6647	1.945	38	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.5050	0.033	2	111.6647	1.945	38	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.5470	0.000	1	111.6647	1.945	38	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.1965	0.006	2	111.6647	1.945	38	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	H(C[5]C[5]2H)	110.4870	0.000	1	111.6647	1.945	38	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(C[5]C[5]2H)	111.0840	2.707	2	111.6647	1.945	38	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{3|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.3645	0.006	2	111.6647	1.945	38	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2{2|C<4>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	111.0180	0.075	2	111.0012	0.005	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(H)2{2|C<4>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	H(C[5]C[5]2H)	110.9845	0.097	2	111.0012	0.005	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	113.0010	3.175	2	113.0010	10.080	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.1663	0.164	3	111.1663	0.027	3	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2140	0.000	1	111.2140	0.000	1	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2{2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,6|C<4>}	H(C[5]C[5]2H)	113.0105	6.608	2	113.0105	43.665	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0075	0.213	8	111.0075	0.045	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	109.5195	0.056	2	109.5195	0.003	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9103	0.417	15	110.9103	0.174	15	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1673	0.234	3	111.0720	5.212	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	112.2640	6.698	2	111.0720	5.212	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|Fe<7>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8810	0.004	2	111.0720	5.212	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3265	0.059	2	111.0720	5.212	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.6735	0.409	2	111.0720	5.212	11	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2{1|H<1>,1|S<1>,2|C<4>}	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.7840	3.580	4	109.7840	12.814	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	108.8250	2.027	2	109.8452	1.446	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3630	0.038	2	109.8452	1.446	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|S<2>,3|H<1>}	H(C[5]C[5]2H)	110.3475	0.023	2	109.8452	1.446	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|B<3>,2|C<3>}	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0170	0.099	2	111.0170	0.010	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3270	0.011	2	110.3640	0.002	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3825	0.039	4	110.3640	0.002	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7738	0.099	4	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.2405	0.040	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3610	0.004	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.4160	0.011	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.1615	0.013	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5950	0.021	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6215	0.005	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3967	0.026	3	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.2550	5.066	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3290	0.035	2	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5982	0.024	4	110.6162	1.077	27	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8264	0.082	5	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.0595	0.037	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3905	0.009	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.3865	0.029	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4355	0.013	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.3780	0.011	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4710	0.504	6	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3570	0.042	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3648	0.250	4	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.4590	0.000	1	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5655	0.023	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.3765	1.600	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4780	0.000	1	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	108.5770	4.453	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	107.2980	0.433	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.8325	2.117	4	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2740	0.000	1	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.2655	1.512	6	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4785	0.033	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2788	0.028	4	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2635	0.059	4	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4490	0.013	2	110.4370	1.553	60	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3435	0.032	2	110.3435	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4470	0.018	2	110.5656	0.123	9	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1680	0.006	2	110.5656	0.123	9	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4775	0.028	2	110.5656	0.123	9	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3017	0.017	3	110.5656	0.123	9	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|Ru<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5403	0.152	20	110.5403	0.023	20	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6130	0.057	2	110.6130	0.003	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8040	0.008	2	109.8283	2.654	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|N<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.2570	0.027	2	109.8283	2.654	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	108.4240	2.656	2	109.8283	2.654	6	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.1140	1.003	2	110.5608	0.201	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.4085	0.008	2	110.5608	0.201	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3770	0.024	2	110.5608	0.201	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.3880	0.106	2	110.5608	0.201	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.5165	0.025	2	110.5608	0.201	10	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8330	0.011	2	110.8330	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2600	0.049	2	110.3976	0.017	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3195	0.026	2	110.3976	0.017	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.5785	0.022	2	110.3976	0.017	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.4325	0.012	2	110.3976	0.017	8	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|N<3>}	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2520	0.025	2	110.2520	0.001	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5620	0.007	2	110.5620	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.3143	0.249	4	110.3143	0.062	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8900	0.020	2	109.8900	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3195	0.005	2	110.3195	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3075	0.009	2	110.3075	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.8930	0.243	4	110.8930	0.059	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6645	0.006	2	110.6645	0.000	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1095	0.054	2	111.1095	0.003	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.9735	0.100	4	110.9735	0.010	4	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	112.0060	1.370	2	112.0060	1.878	2	110.5271	0.760	2316	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7336	0.188	7	110.7336	0.035	7	110.7336	0.035	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2	H(C[5]C[5]2H)	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2960	0.008	2	111.2960	0.000	2	111.2012	0.006	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2	H(C[5]C[5]2H)	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1538	0.033	4	111.1538	0.001	4	111.2012	0.006	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|O<2>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.4748	0.100	6	111.4748	0.010	6	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9175	0.015	2	110.9175	0.000	2	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H){4|H<1>}	H(C[5]C[5]2H)	111.0700	0.006	2	111.0700	0.000	2	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H){4|H<1>}	H(C[5]C[5]2H)	111.5865	0.006	2	111.5865	0.000	2	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0025	0.004	2	111.0025	0.000	2	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.4510	0.000	1	111.4510	0.000	1	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2590	0.018	2	111.2590	0.000	2	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0245	0.009	2	111.0245	0.000	2	111.2642	0.063	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	H(C[5]C[5]2H)	110.8615	0.015	2	110.8615	0.000	2	111.0151	1.629	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	H(C[5]C[5]2H)	111.5575	0.056	2	111.5575	0.003	2	111.0151	1.629	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0790	0.058	10	111.0790	0.003	10	111.0151	1.629	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H){1|C<2>,2|C<3>}	H(C[5]C[5]2H)	110.3065	4.767	2	110.3065	22.721	2	111.0151	1.629	16	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1320	0.132	4	111.1320	0.018	4	109.2964	15.514	9	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>}	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	102.5840	2.852	2	102.5840	8.137	2	109.2964	15.514	9	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.3240	0.025	3	111.3240	0.001	3	109.2964	15.514	9	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.0665	0.018	2	110.1240	0.005	4	110.4798	0.112	25	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1815	0.042	2	110.1240	0.005	4	110.4798	0.112	25	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5635	0.039	4	110.6537	0.062	12	110.4798	0.112	25	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){4|H<1>}	H(C[5]C[5]2H)	110.6988	0.300	8	110.6537	0.062	12	110.4798	0.112	25	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9905	0.043	2	110.9905	0.002	2	110.4798	0.112	25	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)2(H)2	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)2(H)2{2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	H(C[5]C[5]2H)	110.1010	0.040	4	110.1010	0.002	4	110.4798	0.112	25	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.4237	0.041	3	110.4237	0.002	3	110.4798	0.112	25	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.0715	0.022	2	110.0715	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|B<3>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3805	0.008	2	110.3805	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|N<3>}	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6990	0.000	1	110.6990	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.3220	1.628	2	110.3220	2.650	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.9989	0.166	8	111.0120	0.020	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0470	0.017	3	111.0120	0.020	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.0662	0.038	6	111.0662	0.001	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1420	0.020	2	111.1420	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1969	0.049	7	111.1969	0.002	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<3>,2|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<3>,2|H<1>}	H(C[5]C[5]2H)	110.6650	0.240	3	110.6650	0.057	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7300	0.160	4	110.7300	0.026	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	110.9110	0.815	2	110.9110	0.664	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6820	0.313	4	110.9289	0.115	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	111.1757	0.086	4	110.9289	0.115	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.7942	0.246	6	110.7694	0.533	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.8020	0.000	1	110.7694	0.533	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7523	0.153	4	110.7694	0.533	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.7413	1.537	4	110.7694	0.533	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7070	0.099	9	110.7070	0.010	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	110.1448	0.022	4	110.1448	0.000	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.0960	0.018	2	111.0960	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.9080	1.495	2	110.9080	2.234	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5687	0.065	6	110.7073	1.659	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	111.3785	2.723	4	110.7073	1.659	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5075	0.006	2	110.7073	1.659	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3438	0.178	4	110.7073	1.659	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5567	0.050	10	110.5567	0.003	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]2H)	111.0503	0.245	4	111.0503	0.060	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.6630	0.034	2	110.6630	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6460	0.546	8	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5984	1.837	17	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6469	0.437	27	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.4531	0.467	24	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4585	0.015	2	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.0100	0.114	4	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	112.7685	1.216	4	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4256	0.612	11	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7919	0.259	12	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.2354	0.560	36	110.5405	0.777	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5915	0.416	14	110.5915	0.173	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.3980	0.024	2	110.5194	0.011	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6480	0.071	2	110.5194	0.011	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5179	0.093	10	110.5194	0.011	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	111.0092	0.286	14	111.0092	0.082	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	110.4620	0.000	1	110.5956	0.006	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.6340	0.064	2	110.5956	0.006	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6019	0.067	9	110.5956	0.006	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7059	0.350	16	110.7059	0.122	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.2875	0.005	2	111.2875	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6190	0.000	1	110.6190	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.4696	0.030	5	110.8653	0.311	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5]2H)	110.7745	0.023	2	110.8653	0.311	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.9085	0.354	2	110.8653	0.311	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9020	0.011	2	110.8653	0.311	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	111.0170	0.000	1	111.0170	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7390	0.440	6	110.6262	1.469	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.3295	0.033	2	110.6262	1.469	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.0815	3.720	2	110.6262	1.469	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1290	0.013	2	110.6262	1.469	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3088	1.164	8	110.5040	1.180	73	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.0935	1.669	12	110.5040	1.180	73	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6556	0.259	7	110.5040	1.180	73	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3838	0.566	11	110.5040	1.180	73	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2886	1.401	18	110.5040	1.180	73	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.5409	0.330	13	110.5040	1.180	73	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.0413	0.164	4	110.5040	1.180	73	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2413	0.208	6	110.2589	0.032	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3115	0.016	2	110.2589	0.032	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.6362	0.221	6	110.5870	0.043	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4395	0.018	2	110.5870	0.043	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6927	0.039	4	110.6927	0.002	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.8183	1.056	4	110.8183	1.114	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.5590	0.000	1	110.5590	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4555	0.086	2	110.3748	0.022	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4755	0.028	2	110.3748	0.022	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.1935	0.066	2	110.3748	0.022	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6163	0.072	3	110.6163	0.005	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8850	1.945	4	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8900	0.000	1	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1733	1.104	6	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8522	0.214	4	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.2235	0.033	2	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.9385	0.045	2	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7668	0.047	4	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7240	0.172	3	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9800	0.184	3	110.9442	0.661	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.9590	0.014	2	110.9590	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7424	0.225	8	110.7424	0.051	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.6078	0.127	17	110.6798	0.016	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.7443	0.083	19	110.6798	0.016	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Ru)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2Ru)(C[5]C[5]HH)(H)2{1|Ru<7>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)2(H)2{1|Ru<7>,1|C<4>,1|C<5>}	H(C[5]C[5]2H)	111.1160	0.130	4	111.1160	0.017	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.9025	0.026	2	110.9517	0.012	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8678	0.130	4	110.9517	0.012	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	111.0240	0.066	6	110.9517	0.012	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.2905	0.762	2	111.2905	0.580	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{4|C<4>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.9170	0.000	1	110.9170	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.0415	0.022	2	111.2317	0.109	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|Se<4>,2|H<1>}	H(C[5]C[5]2H)	111.6120	0.000	1	111.2317	0.109	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|B<3>,1|C<3>,2|H<1>}	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]2H)	110.5085	0.025	2	110.5085	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.3460	0.080	4	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.2760	1.770	28	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4670	0.004	2	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8090	0.037	2	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4373	0.132	4	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.0110	0.000	1	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	110.3063	0.783	6	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.7176	0.149	8	110.3819	1.660	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.4647	0.163	3	110.4476	0.030	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2600	0.021	2	110.4476	0.030	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.6095	0.012	2	110.4476	0.030	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	112.5853	2.321	4	112.5853	5.386	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.8470	0.006	2	110.8470	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.4265	0.046	2	110.3118	0.019	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|C<4>}	H(C[5]C[5]2H)	110.1970	0.042	2	110.3118	0.019	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	108.8050	1.654	4	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.7293	0.141	6	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.6030	0.004	2	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{3|C<3>}	H(C[5]C[5]2H)	111.0490	0.093	4	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4675	0.005	2	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.5175	0.022	2	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.7455	0.025	2	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.4652	0.121	6	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	111.0330	0.974	35	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7930	1.265	51	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	111.5566	5.244	5	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	111.1685	4.149	2	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.5562	0.034	6	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6030	0.000	1	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6564	0.344	19	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4592	0.228	16	110.7468	1.699	163	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[5]C[5]2H)	113.3725	5.199	4	113.3725	27.032	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.7096	0.086	5	110.7096	0.007	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9845	2.083	4	110.9845	4.340	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3260	0.085	2	110.4162	0.008	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5080	0.014	2	110.4162	0.008	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4145	0.040	2	110.4162	0.008	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.3950	0.040	2	111.3950	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7400	0.152	4	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2480	0.065	3	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.4715	0.012	2	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.9657	1.581	28	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7780	0.449	7	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.8085	0.016	2	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.3600	0.018	2	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7400	0.163	4	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.8207	0.601	6	110.8165	1.279	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.6600	0.218	4	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1467	0.148	6	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2130	0.351	4	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1370	0.017	2	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.0503	0.107	4	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.1510	0.284	6	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0533	0.020	3	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8482	0.081	5	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.8925	0.298	6	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7280	0.044	4	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8255	0.296	8	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3385	0.540	4	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.4023	0.047	4	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.5945	0.300	18	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0415	0.005	2	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2072	1.894	12	110.6985	0.635	92	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2900	0.018	2	110.2900	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4177	0.102	4	110.7107	0.110	51	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7860	0.000	1	110.7107	0.110	51	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6448	0.095	11	110.7107	0.110	51	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.2895	0.012	2	110.7107	0.110	51	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6261	0.340	17	110.7107	0.110	51	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9670	0.328	16	110.7107	0.110	51	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7550	0.139	4	110.7550	0.019	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8335	0.037	2	111.0175	1.344	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	112.0225	2.543	2	111.0175	1.344	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6070	0.240	4	111.0175	1.344	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	111.7320	1.834	2	110.3916	0.687	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4300	0.000	1	110.3916	0.687	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2720	0.304	4	110.3916	0.687	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.0182	0.151	6	110.3916	0.687	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6580	0.099	2	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7250	0.000	1	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.5700	0.004	2	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.6467	0.055	4	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9013	0.121	6	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	112.4705	5.744	2	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7979	0.851	38	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5755	0.083	2	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.4070	0.000	1	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6756	0.242	11	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9761	1.632	37	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7253	0.144	8	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2495	0.009	2	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	111.2095	0.057	2	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7721	0.458	67	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.4640	0.025	2	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.9040	0.082	3	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8639	0.197	13	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7010	0.214	9	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7930	0.037	4	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	108.7811	3.265	12	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8117	0.530	81	110.7426	1.193	309	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.5035	0.019	2	110.5035	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7320	0.000	1	110.7320	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5]2H)	109.6990	0.042	2	109.6990	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2H)	110.3870	0.054	2	110.3870	0.003	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]2H)	112.1885	0.064	2	110.2671	0.247	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	109.7220	0.017	2	110.2671	0.247	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]2H)	109.9806	0.198	25	110.2671	0.247	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2H)	110.4149	0.240	21	110.2671	0.247	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2H)	110.5286	0.321	5	110.2671	0.247	55	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9039	0.209	21	110.9039	0.044	21	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.9100	0.017	2	110.9747	1.303	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.8615	0.009	2	110.9747	1.303	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.7368	0.345	4	110.9747	1.303	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.2255	1.641	15	110.9747	1.303	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.6600	0.000	1	110.9747	1.303	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7071	0.257	8	110.9747	1.303	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6562	0.152	4	110.6562	0.023	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.5293	0.300	3	110.3936	0.072	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.0950	0.021	2	110.3936	0.072	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4885	0.054	2	110.3936	0.072	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2H)	110.6970	0.016	2	110.8039	0.713	54	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.8098	0.107	13	110.8039	0.713	54	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.8593	0.079	4	110.8039	0.713	54	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4563	0.551	18	110.8039	0.713	54	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.0785	0.012	2	110.8039	0.713	54	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.1786	1.414	15	110.8039	0.713	54	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	111.0770	0.000	1	111.0770	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.7330	0.000	1	110.7330	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6900	0.010	2	110.7672	0.054	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	110.5407	0.047	3	110.7672	0.054	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.3145	0.026	2	110.7672	0.054	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7451	0.203	8	110.7672	0.054	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7406	0.229	97	110.7672	0.054	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.9033	0.188	33	110.7672	0.054	145	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<1>,1|P<4>}	H(C[5]C[5]2H)	110.4227	0.918	6	110.6049	0.629	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.8783	0.563	4	110.6049	0.629	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.7673	0.142	4	110.7673	0.020	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7045	0.237	4	110.7045	0.056	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	110.1390	0.014	2	110.1390	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9380	1.314	4	110.9380	1.726	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	111.7545	0.889	2	111.7545	0.790	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7295	0.026	2	110.7295	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	111.0785	0.016	2	110.9183	0.067	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3705	0.005	2	110.9183	0.067	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9892	0.027	4	110.9183	0.067	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0713	0.277	4	110.9183	0.067	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8650	0.004	2	110.9183	0.067	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9110	0.048	2	110.9183	0.067	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3060	5.670	2	111.3060	32.144	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[5]C[5]2H)	110.6571	0.247	8	110.6571	0.061	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7165	0.005	2	110.7165	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8610	0.000	1	111.3397	0.173	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|Se<4>,2|H<1>}	H(C[5]C[5]2H)	111.5790	0.041	2	111.3397	0.173	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CoH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	110.8038	0.129	4	110.8038	0.017	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CuH)(C[5]C[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Cu<4>,2|H<1>}	H(C[5]C[5]2H)	111.2430	0.091	6	111.2430	0.008	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ge<2>,3|H<1>}	H(C[5]C[5]2H)	110.6245	0.121	4	110.7640	0.042	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ge<4>,3|H<1>}	H(C[5]C[5]2H)	110.9500	0.117	3	110.7640	0.042	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2{1|Mo<8>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6693	0.251	3	110.6693	0.063	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2400	0.082	4	110.2400	0.007	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.4505	0.046	2	111.1423	1.249	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	112.4585	1.976	2	111.1423	1.249	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8300	0.084	4	111.1423	1.249	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.7415	0.026	2	110.3337	0.215	52	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	108.6270	0.025	2	110.3337	0.215	52	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.4250	0.283	23	110.3337	0.215	52	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.2040	0.118	19	110.3337	0.215	52	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5]2H)	110.8273	0.405	6	110.3337	0.215	52	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8155	1.872	2	110.8155	3.503	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3170	1.020	2	110.4293	0.724	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4855	0.921	4	110.4293	0.724	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.6255	0.037	2	110.6255	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|Br<1>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.4580	0.017	2	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.4445	0.070	2	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7896	0.376	68	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.7810	0.024	2	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.4840	0.011	2	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<2>}	H(C[5]C[5]2H)	110.8765	0.346	11	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.8493	0.395	57	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<4>}	H(C[5]C[5]2H)	110.7395	0.316	4	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0220	0.020	2	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1947	0.322	10	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.7730	0.155	5	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.7170	0.028	2	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8187	0.392	102	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.9230	0.356	38	110.8368	0.143	307	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9075	1.203	2	110.8441	1.419	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2818	0.901	6	110.8441	1.419	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	112.4675	0.292	2	110.8441	1.419	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1745	0.033	2	111.1745	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6990	0.014	2	110.6502	0.004	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6015	0.030	2	110.6502	0.004	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8600	0.018	2	110.7925	0.245	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	111.2485	1.279	2	110.7925	0.245	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7258	0.362	6	110.7925	0.245	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5767	0.174	3	110.7925	0.245	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8511	0.579	20	110.8511	0.336	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4860	0.021	2	110.4860	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.2910	0.211	2	110.4442	0.745	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.5207	1.097	4	110.4442	0.745	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6268	0.025	4	110.6268	0.001	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9718	0.134	6	110.9718	0.018	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.6973	0.217	9	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.2060	0.000	1	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6478	0.138	17	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5399	0.371	8	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.1315	0.530	4	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6956	0.840	10	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.9667	0.495	3	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.9170	0.088	2	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7112	0.267	56	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<4>,3|H<1>}	H(C[5]C[5]2H)	111.0175	0.179	16	110.7551	0.132	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<2>,1|P<3>}	H(C[5]C[5]2H)	110.7782	0.126	4	110.9268	0.218	342	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,1|P<4>}	H(C[5]C[5]2H)	111.0760	0.056	4	110.9268	0.218	342	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]2H)	110.8445	0.067	4	110.9268	0.218	342	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|P<2>,3|H<1>}	H(C[5]C[5]2H)	110.6365	0.402	2	110.9268	0.218	342	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	110.9295	0.475	328	110.9268	0.218	342	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.8015	0.022	2	110.8015	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	111.1318	0.404	6	111.1318	0.163	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|H<1>,1|O<1>,1|S<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|H<1>,1|O<1>,1|S<3>}	H(C[5]C[5]2H)	110.5692	0.055	4	110.7966	0.086	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.8130	0.014	2	110.7966	0.086	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2H)	111.2350	0.035	2	110.7966	0.086	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.7400	0.014	2	110.9514	0.086	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|S<3>}	H(C[5]C[5]2H)	111.0390	0.141	3	110.9514	0.086	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2H)	111.0386	0.475	7	110.9514	0.086	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|S<3>,3|H<1>}	H(C[5]C[5]2H)	110.8875	0.228	11	110.9514	0.086	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	111.0357	0.045	3	110.9514	0.086	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7435	0.149	15	110.7435	0.022	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.9760	0.017	2	110.9760	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	111.0542	0.120	4	111.0542	0.014	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|S<3>}	H(C[5]C[5]2H)	111.3328	3.354	4	111.3328	11.250	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0930	1.075	2	111.0930	1.155	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|C<3>}	H(C[5]C[5]2H)	111.0883	0.070	6	111.0883	0.005	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.4710	0.040	2	111.5525	4.434	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.9130	0.802	2	111.5525	4.434	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.9708	2.274	4	111.5525	4.434	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	111.4370	4.518	2	111.5525	4.434	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.1225	0.032	2	110.1225	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.8718	0.314	4	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	110.8625	0.025	2	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6110	0.038	2	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Co<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8320	0.188	3	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.6370	0.000	1	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6420	0.025	3	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	110.3300	0.011	2	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]2H)	110.1255	0.012	2	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8860	0.031	2	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7800	0.285	8	110.7040	0.080	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6625	2.304	4	111.2695	4.152	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1440	0.010	2	111.2695	4.152	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	112.4805	2.702	2	111.2695	4.152	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3980	3.110	2	111.2695	4.152	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1558	0.124	4	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8440	0.014	2	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5430	0.047	2	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8496	0.312	40	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8208	2.337	12	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7730	0.051	2	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.5538	0.006	4	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8673	0.122	7	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.4193	0.361	26	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.7383	0.455	3	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.8966	0.145	15	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9157	0.328	11	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.6689	0.180	8	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5547	0.189	11	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6718	0.129	12	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5031	3.008	12	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.1062	0.050	6	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1170	0.007	2	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	112.0373	4.948	4	110.8102	1.444	183	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3340	2.202	2	110.3340	4.848	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6535	0.019	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9342	0.232	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6295	0.005	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.3350	0.067	5	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.3220	0.017	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9495	1.574	95	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9532	1.434	471	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9514	1.502	54	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7937	0.489	32	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9949	0.246	13	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5017	0.554	15	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4105	0.121	8	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.6210	0.008	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7640	1.066	14	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0920	0.018	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6677	0.325	8	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	114.2680	3.551	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6412	0.082	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0880	0.000	1	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7460	0.075	5	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7404	0.262	10	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.3180	0.137	3	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6880	0.021	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9767	0.337	8	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	112.2290	3.693	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<8>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9693	0.339	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Li<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6856	0.144	8	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6763	0.136	7	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mn<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mn<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6390	0.072	3	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mo<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7840	0.188	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	110.0371	2.053	17	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.6200	0.004	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.6219	0.470	10	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8507	0.369	69	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0477	0.140	10	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7378	0.036	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	110.2085	0.047	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8650	0.382	14	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3120	0.285	14	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<5>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5605	0.046	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1480	0.040	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7415	0.042	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7825	0.016	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6757	0.098	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<8>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1058	7.995	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8115	0.029	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5092	1.062	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.0346	0.344	44	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.7707	0.250	30	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7900	0.018	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6515	0.073	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|W<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|W<7>}	H(C[5]C[5]2H)	110.9530	1.295	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7701	0.263	7	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7124	0.317	8	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6673	0.088	3	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4855	0.031	4	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.4890	0.030	2	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0419	0.241	13	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7684	0.158	5	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9863	1.183	112	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6467	0.786	32	110.8908	1.593	1228	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	112.1840	3.086	2	112.1840	9.522	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9925	0.021	2	110.9925	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.9885	0.224	4	110.9885	0.050	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.8000	0.017	2	110.8000	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9562	0.842	4	110.0396	0.566	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.3730	0.000	1	110.0396	0.566	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>,1|P<4>}	H(C[5]C[5]2H)	110.5615	0.018	2	110.5615	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	109.5745	1.551	2	109.5745	2.405	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>}	H(C[5]C[5]2H)	109.7555	2.422	2	109.7555	5.865	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,1|C<3>,1|H<1>}	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	112.0830	4.531	2	112.0830	20.531	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2367	0.052	3	111.2367	0.003	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7130	0.133	5	110.7130	0.018	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8205	3.853	2	110.8205	14.846	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|H<1>}	H(C[5]C[5]2H)	111.2630	0.016	2	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.1250	0.008	2	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8384	0.237	7	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8815	0.063	2	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2037	0.098	3	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	111.1940	0.021	4	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3210	0.000	1	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]2H)	111.0277	0.043	4	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.0600	0.066	2	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0775	0.013	2	110.9483	0.114	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,3|H<1>}	H(C[5]C[5]2H)	110.5055	0.050	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9270	0.016	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6595	0.008	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0340	0.000	1	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8537	0.104	6	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8506	1.326	102	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0494	1.264	55	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1064	0.321	14	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.1340	0.030	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.0080	0.444	45	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|H<1>}	H(C[5]C[5]2H)	109.9380	0.033	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]2H)	111.0260	0.187	12	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8079	1.246	109	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.4119	1.740	17	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7933	0.548	8	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.1440	0.065	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.0264	0.257	33	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|W<7>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	111.0275	0.945	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.8910	0.188	6	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7036	1.053	29	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,2|H<1>}	H(C[5]C[5]2H)	111.2995	0.033	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	110.9532	1.799	14	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	110.6685	0.029	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4740	0.203	7	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,3|H<1>}	H(C[5]C[5]2H)	111.9463	3.941	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4361	0.345	8	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8700	0.074	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,3|H<1>}	H(C[5]C[5]2H)	111.0790	0.004	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9508	0.133	5	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7236	0.066	9	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4355	0.080	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4530	0.007	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9447	0.301	7	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9123	1.085	467	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1744	0.746	35	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7202	0.235	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	112.0785	3.538	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<8>,3|H<1>}	H(C[5]C[5]2H)	111.0307	0.259	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Li<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7686	0.067	10	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7247	0.157	7	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mn<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mn<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7633	0.139	3	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mo<6>,3|H<1>}	H(C[5]C[5]2H)	110.6693	0.315	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9193	0.607	66	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,3|H<1>}	H(C[5]C[5]2H)	111.0130	0.284	10	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1658	0.033	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]2H)	110.9591	0.303	14	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]2H)	110.6838	0.353	14	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<5>,3|H<1>}	H(C[5]C[5]2H)	111.1350	0.033	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,3|H<1>}	H(C[5]C[5]2H)	111.3710	0.051	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6155	0.040	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]2H)	111.2180	0.018	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]2H)	110.8465	0.030	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<8>,3|H<1>}	H(C[5]C[5]2H)	110.8590	8.150	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	H(C[5]C[5]2H)	111.1510	0.076	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	H(C[5]C[5]2H)	110.7710	1.015	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	111.2550	0.035	2	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<5>,2|H<1>}	H(C[5]C[5]2H)	110.9103	0.065	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,3|H<1>}	H(C[5]C[5]2H)	110.6411	0.225	8	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5627	0.112	7	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5132	0.059	4	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8520	0.643	16	110.8968	1.195	1232	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	112.4475	3.296	2	112.4475	10.862	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6857	0.089	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,2|H<1>}	H(C[5]C[5]2H)	111.1175	0.080	2	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|B<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|B<5>,2|H<1>}	H(C[5]C[5]2H)	110.8063	0.037	3	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5680	0.476	8	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,3|H<1>}	H(C[5]C[5]2H)	111.1573	0.021	6	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]2H)	110.6646	0.079	8	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8436	0.858	942	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8575	0.445	251	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5602	0.647	171	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	110.0963	2.332	16	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Dy<17>,1|C<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Dy<17>,1|C<5>,2|H<1>}	H(C[5]C[5]2H)	110.8790	0.220	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7433	0.032	3	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,3|H<1>}	H(C[5]C[5]2H)	110.9341	0.345	7	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Lu<13>,1|Si<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Lu<13>,1|Si<5>,2|H<1>}	H(C[5]C[5]2H)	110.7873	0.097	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|B<4>,2|H<1>}	H(C[5]C[5]2H)	110.8787	0.460	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8404	0.225	7	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8540	0.071	6	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.6940	0.829	20	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.9588	0.071	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4873	0.072	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,2|H<1>}	H(C[5]C[5]2H)	110.5392	0.349	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8910	0.018	3	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.6361	0.902	282	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8200	0.194	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<7>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<7>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9057	0.210	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8662	0.204	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,3|H<1>}	H(C[5]C[5]2H)	110.5085	0.172	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,3|H<1>}	H(C[5]C[5]2H)	110.8530	0.247	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.7415	0.501	22	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sb<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sb<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7955	0.209	8	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|B<4>,2|H<1>}	H(C[5]C[5]2H)	111.6590	1.259	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|Y<13>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|Y<13>,2|H<1>}	H(C[5]C[5]2H)	110.7338	0.093	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8426	0.121	8	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|W<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	111.2435	0.416	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6285	0.070	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,3|H<1>}	H(C[5]C[5]2H)	110.6910	0.403	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5284	1.256	8	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|B<4>,2|H<1>}	H(C[5]C[5]2H)	110.7343	0.076	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7366	1.399	237	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.5515	0.892	4	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	111.0453	1.244	58	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5717	0.845	83	110.7706	0.816	2235	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	112.5695	1.941	2	111.5468	1.387	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0355	0.097	4	111.5468	1.387	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7693	0.431	11	110.8407	0.149	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.0370	0.080	4	110.8407	0.149	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2330	0.042	2	111.2330	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]OU)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|U<12>,1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]OU)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5279	0.224	14	110.5279	0.050	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,2|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.3458	0.302	6	111.3458	0.091	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Al<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8143	0.336	22	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8834	0.354	21	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3085	1.536	4	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0040	0.169	4	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2800	0.246	2	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.9850	0.000	1	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.5872	0.417	4	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Co<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8400	0.021	2	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0144	2.098	7	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7588	0.246	31	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<7>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7404	0.310	8	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	111.1243	0.070	6	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9440	0.006	2	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<10>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.1315	1.414	10	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.4785	0.006	2	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6800	0.287	3	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mg<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9433	0.116	3	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mn<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mn<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8276	0.155	16	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mo<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0184	0.235	8	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9240	0.100	5	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zn<4>,2|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.2855	0.022	2	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.6690	0.053	4	110.8555	0.399	167	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7770	0.186	4	110.9393	3.108	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.1937	2.939	4	110.9393	3.108	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	111.1772	0.098	5	110.9393	3.108	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.1600	3.948	2	110.9393	3.108	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0905	0.375	2	110.6843	0.105	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8740	0.060	6	110.6843	0.105	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3730	0.030	4	110.6843	0.105	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.3315	0.138	2	110.6843	0.105	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0305	0.092	6	111.2054	0.595	18	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1775	0.085	4	111.2054	0.595	18	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.3505	1.177	8	111.2054	0.595	18	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5650	0.007	2	110.9550	0.064	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5270	0.027	4	110.9550	0.064	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1936	0.126	5	110.9550	0.064	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9407	0.236	3	110.9550	0.064	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8530	0.000	1	110.9550	0.064	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	110.6415	0.018	2	110.9550	0.064	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0701	0.118	18	110.9550	0.064	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]NiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|H<1>}	C[5](C[5]N[5]NiH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.1033	0.069	3	111.1033	0.005	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5975	2.315	4	111.0892	4.665	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,2|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	111.4195	0.798	2	111.0892	4.665	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,3|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2525	2.465	8	111.0892	4.665	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]SnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|H<1>}	C[5](C[5]N[5]SnH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	109.6840	3.724	2	109.6840	13.865	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<10>,1|N<3>}	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.9956	0.362	8	110.7744	0.331	25	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<11>,1|N<3>}	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.7949	0.817	10	110.7744	0.331	25	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<9>,1|N<3>}	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.4921	0.103	7	110.7744	0.331	25	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2110	0.011	2	111.2110	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	113.2410	1.864	2	113.2410	3.474	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	111.6540	7.228	2	111.2162	10.578	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.9972	0.155	4	111.2162	10.578	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	111.6628	1.559	4	111.6628	2.429	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.0389	0.553	11	111.0865	0.227	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>}	H(C[5]C[5]2H)	111.2175	0.102	4	111.0865	0.227	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	111.0410	0.057	2	111.0410	0.003	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	110.9920	0.037	2	110.9920	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.8040	0.030	2	110.8040	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]OU)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]OU)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|U<12>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.9566	0.138	13	110.9566	0.019	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]2H)	110.4125	1.470	6	110.4125	2.162	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.3178	0.076	4	111.3178	0.006	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.5790	0.051	2	111.0537	0.072	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.2370	0.017	2	111.0537	0.072	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.1508	0.122	6	111.0537	0.072	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.8705	0.060	2	110.8705	0.004	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]2H)	111.5329	1.077	8	111.5329	1.160	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9615	0.046	2	110.9615	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9630	0.006	2	111.1141	0.072	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.4310	0.000	1	111.1141	0.072	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1117	0.293	6	111.1141	0.072	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<2>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1490	0.013	2	111.0903	0.086	105	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<2>,1|H<1>}	H(C[5]C[5]2H)	111.1565	0.011	2	111.0903	0.086	105	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0878	0.298	101	111.0903	0.086	105	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Al<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8985	0.188	8	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9997	0.289	6	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6440	0.011	2	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mg<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8773	0.621	4	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mn<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1415	0.026	2	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ni<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.4600	0.064	2	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|V<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<5>,1|H<1>,1|V<7>}	H(C[5]C[5]2H)	110.9815	0.035	2	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.7991	0.483	8	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1009	0.192	24	110.9994	0.101	58	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9027	0.222	3	110.9266	0.189	33	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9290	0.453	30	110.9266	0.189	33	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2242	0.120	6	111.2242	0.014	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9835	0.013	2	110.9835	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9445	0.022	2	110.9445	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2150	0.081	4	111.2150	0.007	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.4758	0.027	8	111.4758	0.001	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.4870	0.028	2	111.4870	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	111.5233	0.045	4	112.0340	0.680	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]2H)	113.0555	0.513	2	112.0340	0.680	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0725	0.042	2	110.0725	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.9502	0.315	17	111.0463	0.107	34	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1423	0.318	17	111.0463	0.107	34	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Al<5>,2|H<1>}	H(C[5]C[5]2H)	110.4426	0.727	7	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.6713	0.586	7	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.8799	0.373	25	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<5>,1|H<1>,1|V<7>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|V<7>,2|H<1>}	H(C[5]C[5]2H)	110.9970	0.016	2	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<5>,2|H<1>}	H(C[5]C[5]2H)	110.3717	0.457	6	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<6>,2|H<1>}	H(C[5]C[5]2H)	109.5080	0.068	2	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mg<4>,2|H<1>}	H(C[5]C[5]2H)	110.7200	0.431	4	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mn<6>,2|H<1>}	H(C[5]C[5]2H)	111.3670	0.000	1	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ni<6>,2|H<1>}	H(C[5]C[5]2H)	110.6205	0.021	2	110.6879	0.283	56	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.0540	0.000	1	111.0540	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<4>,2|H<1>}	H(C[5]C[5]2H)	110.8401	0.603	107	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,2|H<1>}	H(C[5]C[5]2H)	111.1005	0.641	58	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<6>,2|H<1>}	H(C[5]C[5]2H)	111.1367	0.330	49	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]2H)	110.7440	4.040	40	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]2H)	110.9782	0.183	18	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<10>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<10>,2|H<1>}	H(C[5]C[5]2H)	111.0914	0.312	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<11>,2|H<1>}	H(C[5]C[5]2H)	110.2570	0.381	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<13>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<13>,2|H<1>}	H(C[5]C[5]2H)	110.9184	0.372	22	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<7>,2|H<1>}	H(C[5]C[5]2H)	111.1186	0.252	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<8>,2|H<1>}	H(C[5]C[5]2H)	110.8236	0.588	15	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Be<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Be<4>,2|H<1>}	H(C[5]C[5]2H)	111.2602	0.088	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<11>,2|H<1>}	H(C[5]C[5]2H)	111.1500	0.280	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<12>,2|H<1>}	H(C[5]C[5]2H)	110.8473	0.227	15	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<14>,2|H<1>}	H(C[5]C[5]2H)	111.2820	0.106	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<4>,2|H<1>}	H(C[5]C[5]2H)	110.7340	0.514	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<5>,2|H<1>}	H(C[5]C[5]2H)	110.6596	0.376	34	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,2|H<1>}	H(C[5]C[5]2H)	110.8771	0.479	168	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<7>,2|H<1>}	H(C[5]C[5]2H)	111.0146	0.461	69	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<8>,2|H<1>}	H(C[5]C[5]2H)	110.8232	0.463	81	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<9>,2|H<1>}	H(C[5]C[5]2H)	110.9368	0.642	46	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cd<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cd<4>,2|H<1>}	H(C[5]C[5]2H)	110.5989	0.964	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<3>,2|H<1>}	H(C[5]C[5]2H)	111.2498	0.227	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<4>,2|H<1>}	H(C[5]C[5]2H)	110.7926	0.479	20	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<5>,2|H<1>}	H(C[5]C[5]2H)	110.9330	0.974	20	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<6>,2|H<1>}	H(C[5]C[5]2H)	111.0451	0.398	87	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<10>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<10>,2|H<1>}	H(C[5]C[5]2H)	109.8935	0.145	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<4>,2|H<1>}	H(C[5]C[5]2H)	110.7176	2.267	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<5>,2|H<1>}	H(C[5]C[5]2H)	110.9861	0.370	52	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<6>,2|H<1>}	H(C[5]C[5]2H)	111.1297	1.160	132	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<7>,2|H<1>}	H(C[5]C[5]2H)	110.8506	0.246	14	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<8>,2|H<1>}	H(C[5]C[5]2H)	111.0263	0.207	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<3>,2|H<1>}	H(C[5]C[5]2H)	111.1350	0.388	9	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<4>,2|H<1>}	H(C[5]C[5]2H)	110.8820	0.320	23	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<5>,2|H<1>}	H(C[5]C[5]2H)	110.7964	0.441	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<6>,2|H<1>}	H(C[5]C[5]2H)	110.8664	0.466	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<11>,2|H<1>}	H(C[5]C[5]2H)	110.7493	0.178	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<14>,2|H<1>}	H(C[5]C[5]2H)	110.6492	0.179	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Er<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Er<14>,2|H<1>}	H(C[5]C[5]2H)	110.2307	1.191	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<11>,2|H<1>}	H(C[5]C[5]2H)	111.3209	0.141	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<12>,2|H<1>}	H(C[5]C[5]2H)	110.9211	0.253	15	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<13>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<13>,2|H<1>}	H(C[5]C[5]2H)	111.2140	0.000	1	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<5>,2|H<1>}	H(C[5]C[5]2H)	111.1107	0.492	11	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<6>,2|H<1>}	H(C[5]C[5]2H)	110.7979	0.336	15	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<7>,2|H<1>}	H(C[5]C[5]2H)	111.0620	0.438	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<3>,2|H<1>}	H(C[5]C[5]2H)	111.0704	0.160	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<4>,2|H<1>}	H(C[5]C[5]2H)	111.0557	0.358	78	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,2|H<1>}	H(C[5]C[5]2H)	110.8908	0.386	47	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,2|H<1>}	H(C[5]C[5]2H)	110.9126	0.492	80	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<7>,2|H<1>}	H(C[5]C[5]2H)	111.3178	0.133	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<4>,2|H<1>}	H(C[5]C[5]2H)	110.9045	0.442	42	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<5>,2|H<1>}	H(C[5]C[5]2H)	111.9045	2.450	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ge<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ge<3>,2|H<1>}	H(C[5]C[5]2H)	111.1807	0.228	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Hf<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Hf<9>,2|H<1>}	H(C[5]C[5]2H)	110.5535	0.359	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<4>,2|H<1>}	H(C[5]C[5]2H)	111.0222	0.884	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<5>,2|H<1>}	H(C[5]C[5]2H)	111.2077	2.292	19	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	H(C[5]C[5]2H)	110.9381	0.464	27	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<5>,2|H<1>}	H(C[5]C[5]2H)	111.1045	0.543	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]2H)	110.4788	0.405	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<1>,2|H<1>}	H(C[5]C[5]2H)	111.2853	0.026	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<3>,2|H<1>}	H(C[5]C[5]2H)	110.8855	0.557	223	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|Li<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|Li<5>,2|H<1>}	H(C[5]C[5]2H)	111.2812	0.072	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,2|H<1>}	H(C[5]C[5]2H)	110.8954	0.811	1767	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<5>,2|H<1>}	H(C[5]C[5]2H)	110.8440	0.429	192	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<6>,2|H<1>}	H(C[5]C[5]2H)	110.9093	0.395	50	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<7>,2|H<1>}	H(C[5]C[5]2H)	111.5840	2.532	19	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<8>,2|H<1>}	H(C[5]C[5]2H)	111.0470	0.230	19	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<14>,2|H<1>}	H(C[5]C[5]2H)	111.6973	0.199	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<6>,2|H<1>}	H(C[5]C[5]2H)	110.4240	0.257	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<8>,2|H<1>}	H(C[5]C[5]2H)	110.1225	0.111	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,2|H<1>}	H(C[5]C[5]2H)	110.9230	2.715	137	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<5>,2|H<1>}	H(C[5]C[5]2H)	110.7996	0.492	181	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>,2|H<1>}	H(C[5]C[5]2H)	110.8980	0.536	479	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<7>,2|H<1>}	H(C[5]C[5]2H)	110.9946	0.736	68	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<8>,2|H<1>}	H(C[5]C[5]2H)	110.9495	0.453	35	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<4>,2|H<1>}	H(C[5]C[5]2H)	110.8342	0.646	24	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<5>,2|H<1>}	H(C[5]C[5]2H)	110.7913	0.366	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,2|H<1>}	H(C[5]C[5]2H)	111.0300	0.247	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]2H)	111.2430	0.167	13	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<7>,2|H<1>}	H(C[5]C[5]2H)	110.6630	0.573	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<5>,2|H<1>}	H(C[5]C[5]2H)	110.8509	0.363	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<7>,2|H<1>}	H(C[5]C[5]2H)	110.1724	1.458	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<9>,2|H<1>}	H(C[5]C[5]2H)	110.5786	0.730	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<3>,2|H<1>}	H(C[5]C[5]2H)	111.0690	0.263	10	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<4>,2|H<1>}	H(C[5]C[5]2H)	110.4013	0.501	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<5>,2|H<1>}	H(C[5]C[5]2H)	109.7896	2.380	10	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,2|H<1>}	H(C[5]C[5]2H)	111.0199	0.371	55	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<7>,2|H<1>}	H(C[5]C[5]2H)	111.0280	0.165	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Np<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Np<7>,2|H<1>}	H(C[5]C[5]2H)	111.0307	0.301	21	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pd<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pd<4>,2|H<1>}	H(C[5]C[5]2H)	111.0601	2.233	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pt<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]2H)	110.6791	0.383	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<6>,2|H<1>}	H(C[5]C[5]2H)	110.4853	0.112	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<7>,2|H<1>}	H(C[5]C[5]2H)	110.8131	0.521	42	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<5>,2|H<1>}	H(C[5]C[5]2H)	110.7608	0.242	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]2H)	111.0174	0.307	27	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<5>,2|H<1>}	H(C[5]C[5]2H)	110.8028	0.365	6	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<8>,2|H<1>}	H(C[5]C[5]2H)	111.1625	0.267	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<5>,2|H<1>}	H(C[5]C[5]2H)	110.6254	0.537	20	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	110.6608	0.392	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<10>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<10>,2|H<1>}	H(C[5]C[5]2H)	110.5583	0.308	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<11>,2|H<1>}	H(C[5]C[5]2H)	110.9010	0.127	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<12>,2|H<1>}	H(C[5]C[5]2H)	111.4400	1.491	18	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<5>,2|H<1>}	H(C[5]C[5]2H)	111.2271	0.133	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<6>,2|H<1>}	H(C[5]C[5]2H)	111.2499	0.215	30	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<7>,2|H<1>}	H(C[5]C[5]2H)	110.3627	0.353	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<8>,2|H<1>}	H(C[5]C[5]2H)	110.9654	0.564	18	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<9>,2|H<1>}	H(C[5]C[5]2H)	110.8670	0.037	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	111.0909	0.138	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<6>,2|H<1>}	H(C[5]C[5]2H)	111.1983	0.053	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<11>,2|H<1>}	H(C[5]C[5]2H)	110.8996	0.386	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<12>,2|H<1>}	H(C[5]C[5]2H)	110.9012	1.273	34	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<13>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<13>,2|H<1>}	H(C[5]C[5]2H)	110.8414	0.421	32	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<14>,2|H<1>}	H(C[5]C[5]2H)	110.0780	0.216	2	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<15>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<15>,2|H<1>}	H(C[5]C[5]2H)	111.7218	3.288	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<16>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<16>,2|H<1>}	H(C[5]C[5]2H)	111.2240	0.107	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<19>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<19>,2|H<1>}	H(C[5]C[5]2H)	111.2295	0.253	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<5>,2|H<1>}	H(C[5]C[5]2H)	110.3708	1.724	16	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<6>,2|H<1>}	H(C[5]C[5]2H)	111.0114	0.378	19	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<7>,2|H<1>}	H(C[5]C[5]2H)	110.7826	0.629	39	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<8>,2|H<1>}	H(C[5]C[5]2H)	111.1353	0.337	39	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<9>,2|H<1>}	H(C[5]C[5]2H)	110.7592	0.573	43	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<5>,2|H<1>}	H(C[5]C[5]2H)	110.1749	0.615	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<6>,2|H<1>}	H(C[5]C[5]2H)	110.8714	0.982	18	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<11>,2|H<1>}	H(C[5]C[5]2H)	111.1470	0.094	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<12>,2|H<1>}	H(C[5]C[5]2H)	110.7737	0.282	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<4>,2|H<1>}	H(C[5]C[5]2H)	111.0540	0.351	22	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<6>,2|H<1>}	H(C[5]C[5]2H)	111.0565	0.355	31	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<7>,2|H<1>}	H(C[5]C[5]2H)	111.1819	0.280	28	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,2|H<1>}	H(C[5]C[5]2H)	110.9805	0.399	33	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<9>,2|H<1>}	H(C[5]C[5]2H)	111.0076	0.340	34	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ta<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ta<14>,2|H<1>}	H(C[5]C[5]2H)	110.6330	0.025	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tc<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tc<6>,2|H<1>}	H(C[5]C[5]2H)	110.9764	0.294	10	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<10>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<10>,2|H<1>}	H(C[5]C[5]2H)	111.2656	0.103	11	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<11>,2|H<1>}	H(C[5]C[5]2H)	109.1043	4.911	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<12>,2|H<1>}	H(C[5]C[5]2H)	111.2111	1.364	29	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<6>,2|H<1>}	H(C[5]C[5]2H)	111.0264	0.282	30	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<7>,2|H<1>}	H(C[5]C[5]2H)	110.7159	0.626	16	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<8>,2|H<1>}	H(C[5]C[5]2H)	110.8360	0.369	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<9>,2|H<1>}	H(C[5]C[5]2H)	111.1687	0.170	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tm<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tm<11>,2|H<1>}	H(C[5]C[5]2H)	110.8850	0.459	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<11>,2|H<1>}	H(C[5]C[5]2H)	110.8432	0.305	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<13>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<13>,2|H<1>}	H(C[5]C[5]2H)	111.2184	0.265	32	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<14>,2|H<1>}	H(C[5]C[5]2H)	110.8752	0.359	20	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<9>,2|H<1>}	H(C[5]C[5]2H)	111.0497	0.280	6	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<11>,2|H<1>}	H(C[5]C[5]2H)	111.8383	0.559	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<4>,2|H<1>}	H(C[5]C[5]2H)	111.0376	0.135	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<5>,2|H<1>}	H(C[5]C[5]2H)	111.2569	0.072	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<6>,2|H<1>}	H(C[5]C[5]2H)	110.6775	1.021	50	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<7>,2|H<1>}	H(C[5]C[5]2H)	111.1909	0.780	24	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<8>,2|H<1>}	H(C[5]C[5]2H)	111.2960	0.100	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<5>,2|H<1>}	H(C[5]C[5]2H)	111.3268	0.245	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<6>,2|H<1>}	H(C[5]C[5]2H)	110.4758	0.298	26	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<9>,2|H<1>}	H(C[5]C[5]2H)	111.0910	0.179	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<12>,2|H<1>}	H(C[5]C[5]2H)	110.4730	0.194	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<15>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<15>,2|H<1>}	H(C[5]C[5]2H)	110.5127	0.199	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<16>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<16>,2|H<1>}	H(C[5]C[5]2H)	111.1865	0.111	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<8>,2|H<1>}	H(C[5]C[5]2H)	110.0675	0.059	6	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<12>,2|H<1>}	H(C[5]C[5]2H)	110.9740	0.324	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<14>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<14>,2|H<1>}	H(C[5]C[5]2H)	110.5939	0.465	14	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<15>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<15>,2|H<1>}	H(C[5]C[5]2H)	110.7410	0.533	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<5>,2|H<1>}	H(C[5]C[5]2H)	110.5746	1.427	17	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<8>,2|H<1>}	H(C[5]C[5]2H)	110.1465	0.907	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<2>,2|H<1>}	H(C[5]C[5]2H)	111.2544	0.099	20	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<3>,2|H<1>}	H(C[5]C[5]2H)	110.6292	0.586	8	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<4>,2|H<1>}	H(C[5]C[5]2H)	110.8580	0.460	85	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<10>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<10>,2|H<1>}	H(C[5]C[5]2H)	110.7033	0.567	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<11>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<11>,2|H<1>}	H(C[5]C[5]2H)	110.7653	0.202	3	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<12>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<12>,2|H<1>}	H(C[5]C[5]2H)	110.7751	0.345	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<13>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<13>,2|H<1>}	H(C[5]C[5]2H)	110.7855	0.941	32	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<6>,2|H<1>}	H(C[5]C[5]2H)	110.6274	0.598	42	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<7>,2|H<1>}	H(C[5]C[5]2H)	110.6593	1.095	12	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<8>,2|H<1>}	H(C[5]C[5]2H)	110.5895	0.403	24	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<9>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<9>,2|H<1>}	H(C[5]C[5]2H)	111.3652	0.094	13	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.9055	1.105	7535	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<4>,2|H<1>}	H(C[5]C[5]2H)	111.0560	0.000	1	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<5>,2|H<1>}	H(C[5]C[5]2H)	110.7676	0.143	7	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<5>,2|H<1>}	H(C[5]C[5]2H)	111.2775	0.061	6	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<6>,2|H<1>}	H(C[5]C[5]2H)	110.2280	0.061	2	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<7>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<7>,2|H<1>}	H(C[5]C[5]2H)	110.7545	0.536	4	110.9058	1.015	13825	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.6331	0.640	7	110.6331	0.410	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|H<1>}	H(C[5]C[5]2H)	109.4205	0.013	2	109.4205	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.2190	0.000	1	110.2190	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3179	0.198	15	111.3179	0.039	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<6>,1|H<1>}	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[5]C[5]2H)	110.1475	0.366	4	110.1475	0.134	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.4070	0.014	2	111.4070	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2000	0.027	2	111.2000	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0983	0.232	4	111.0983	0.054	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.2995	0.021	2	111.2995	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.4190	0.006	2	111.4190	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.4092	0.058	9	111.4092	0.003	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.3054	0.224	8	111.3054	0.050	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.2775	0.032	2	111.2775	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	111.4950	0.000	1	111.4950	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|P<4>}	H(C[5]C[5]2H)	111.2810	0.013	2	111.2810	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	109.7777	0.056	3	109.7777	0.003	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.7410	0.092	4	110.7410	0.008	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.1649	0.359	8	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]2H)	110.1507	0.157	7	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<6>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<6>}	H(C[5]C[5]2H)	109.9490	0.405	22	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.3302	0.590	16	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.6016	0.386	7	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.1027	0.350	7	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.9877	0.303	7	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<5>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<5>,2|C<4>}	H(C[5]C[5]2H)	109.7586	0.527	8	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<6>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<6>,2|C<4>}	H(C[5]C[5]2H)	109.8716	0.625	29	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2700	0.212	3	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.5512	0.212	4	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.1299	0.352	15	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.4340	0.448	4	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.2800	0.277	7	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2229	0.122	15	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.2086	0.224	34	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	109.7444	0.593	38	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.2239	0.110	8	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.1310	0.383	153	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.3210	0.023	2	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.1320	0.049	2	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.1315	0.364	134	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.2845	0.214	45	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	109.7395	0.005	2	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.3490	0.033	2	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	109.0572	0.848	4	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.1633	0.344	4	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.1573	0.317	107	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.1380	0.265	71	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<7>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<7>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.0327	0.313	12	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<8>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<8>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	109.9661	0.315	8	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Se<1>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Se<1>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	109.8469	0.438	14	110.0913	0.164	799	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<1>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.4100	0.166	4	110.2550	0.201	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.3303	0.145	8	110.2550	0.201	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.9705	0.261	2	110.2550	0.201	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.1210	0.045	2	110.2550	0.201	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|S<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]2H)	109.6587	0.544	4	110.2550	0.201	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<1>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2613	0.209	4	109.9445	0.197	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.8604	0.198	8	109.9445	0.197	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.0320	0.212	2	109.9445	0.197	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.1600	0.037	2	109.9445	0.197	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|S<1>,2|H<1>}	H(C[5]C[5]2H)	109.5447	1.010	3	109.9445	0.197	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Au<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Au<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.3124	1.007	8	109.8680	0.993	62	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2703	0.195	4	109.8680	0.993	62	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1130	0.304	24	109.8680	0.993	62	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2183	0.220	3	109.8680	0.993	62	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.6900	1.438	23	109.8680	0.993	62	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1940	0.689	2	110.3870	0.074	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3300	0.128	10	110.3870	0.074	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7057	0.022	3	110.3870	0.074	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.2980	0.013	2	110.3941	0.168	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.1740	0.044	2	110.3941	0.168	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.4995	0.516	6	110.3941	0.168	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]2H)	109.8960	0.035	2	109.8960	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8550	0.034	2	110.5186	0.056	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.5340	0.027	2	110.5186	0.056	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.3778	0.174	5	110.5186	0.056	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	109.7390	0.035	2	109.7390	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Au<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Au<2>,2|H<1>}	H(C[5]C[5]2H)	110.2968	0.305	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]2H)	110.4543	1.947	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]2H)	110.4658	0.048	6	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Fe<6>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Fe<6>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.0472	0.343	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ir<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]2H)	110.2797	0.369	27	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Mo<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]2H)	110.4822	0.022	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5740	0.037	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pd<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pd<4>,2|H<1>}	H(C[5]C[5]2H)	110.2990	0.070	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,1|Pt<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,1|Pt<5>,2|H<1>}	H(C[5]C[5]2H)	110.3028	0.139	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]2H)	109.3668	0.912	12	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<6>,2|H<1>}	H(C[5]C[5]2H)	110.3918	0.607	8	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Re<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]2H)	110.3051	0.330	8	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.3649	0.330	28	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	110.2998	0.358	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Te<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Te<6>,2|H<1>}	H(C[5]C[5]2H)	110.3636	0.076	8	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Zn<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Zn<4>,2|H<1>}	H(C[5]C[5]2H)	109.9810	0.091	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]2H)	109.4999	1.392	20	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.0203	0.580	15	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|Ru<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	110.5058	0.071	4	110.1437	0.556	172	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.3155	0.018	2	110.3155	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.3195	0.047	2	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5308	1.095	6	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0270	0.006	2	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8140	0.000	1	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6145	1.985	4	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8688	0.245	4	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6183	0.407	3	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.2387	0.248	4	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.6162	0.094	4	110.7967	0.716	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.2329	0.277	8	110.2329	0.077	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]2Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ru<7>,1|C<4>,1|C<5>}	C[5](C[5]C[5]2Ru)(C[5]C[5]HH)(H)2{1|Ru<7>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.6623	0.211	4	110.6623	0.045	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9345	0.033	2	110.7962	0.134	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8725	0.349	4	110.7962	0.134	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.6798	0.460	5	110.7962	0.134	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0440	0.479	2	110.0440	0.230	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.7110	0.018	2	110.7300	0.002	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|Se<4>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	H(C[5]C[5]2H)	110.7490	0.058	2	110.7300	0.002	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7274	0.674	29	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5945	0.008	2	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5303	0.049	6	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5283	1.015	49	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4635	0.006	2	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3150	0.021	2	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9603	0.076	4	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7232	2.395	4	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.3355	0.111	2	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5002	0.031	5	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6060	0.000	1	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5697	1.509	6	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7315	2.589	2	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.9601	0.448	20	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7097	0.629	13	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0478	0.223	4	110.5491	0.784	151	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|F<1>,2|H<1>}	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8187	3.871	4	110.8187	14.984	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3995	0.080	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5790	0.014	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9960	0.078	6	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9101	1.208	37	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6037	1.645	37	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0037	0.022	4	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6380	0.000	1	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8264	0.386	62	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.4175	0.009	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4708	0.139	10	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.8880	1.928	12	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8998	0.220	14	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.9985	0.039	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5295	0.068	4	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5100	0.554	83	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	H(C[5]C[5]2H)	111.2700	0.007	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7500	0.020	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6253	0.012	3	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8616	0.431	10	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2070	4.585	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8540	0.127	2	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8635	0.491	6	110.7440	0.914	305	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7087	0.349	3	110.6682	0.156	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8705	0.022	2	110.6682	0.156	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4165	0.405	15	110.6682	0.156	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0230	0.006	2	110.6682	0.156	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9608	0.213	8	110.6682	0.156	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7685	0.022	2	110.6682	0.156	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3761	0.278	95	110.4236	0.091	138	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5450	0.000	1	110.4236	0.091	138	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3860	0.021	2	110.4236	0.091	138	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4585	0.185	31	110.4236	0.091	138	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0202	0.595	6	110.4236	0.091	138	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3557	0.025	3	110.4236	0.091	138	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>,2|H<1>}	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1833	0.668	4	110.3764	0.466	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<1>,1|P<4>}	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5052	0.722	6	110.3764	0.466	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.5505	0.339	4	110.5505	0.115	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.0240	0.960	2	110.0240	0.922	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9115	0.025	2	110.6709	0.045	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.5222	0.055	4	110.6709	0.045	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.8740	0.023	2	110.6709	0.045	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0720	0.000	1	110.6709	0.045	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.5555	0.019	2	110.6709	0.045	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.5167	0.119	3	110.6709	0.045	14	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<3>,2|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.5140	0.211	6	110.5140	0.045	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2965	0.006	2	111.1230	0.090	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|Se<4>,2|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	H(C[5]C[5]2H)	110.7760	0.000	1	111.1230	0.090	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Co<6>,3|H<1>}	C[5](C[5]C[5]CoH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5203	0.159	4	110.5203	0.025	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cu<4>,2|H<1>}	C[5](C[5]C[5]CuH)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.7718	0.042	6	110.7718	0.002	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ge<2>,3|H<1>}	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6710	0.588	4	110.5740	0.214	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ge<4>,3|H<1>}	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4770	0.357	4	110.5740	0.214	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2{1|Mo<8>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2755	0.095	4	110.2755	0.009	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|Br<1>,3|H<1>}	H(C[5]C[5]2H)	110.6425	0.033	2	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5750	0.034	2	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8558	0.397	66	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3830	0.000	1	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9270	0.037	2	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5210	0.068	5	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1550	0.007	2	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5085	0.006	2	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4317	0.436	102	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3994	0.836	9	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5786	0.277	37	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.6253	0.200	11	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8247	0.349	53	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.5777	0.020	3	110.6278	0.187	297	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7500	0.311	9	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9180	0.000	1	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5678	0.313	18	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6409	0.162	8	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6290	0.057	2	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.1043	0.459	4	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.6716	1.212	9	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5710	0.492	55	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4691	0.454	15	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1263	0.057	3	110.5851	0.272	124	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<2>,1|P<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.4870	0.742	4	110.6915	0.330	353	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9365	0.212	4	110.6915	0.330	353	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|P<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9908	0.189	4	110.6915	0.330	353	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6932	0.579	337	110.6915	0.330	353	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	110.2157	0.048	4	110.6915	0.330	353	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5670	0.023	2	110.5460	0.140	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6869	0.334	8	110.5460	0.140	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6866	0.398	11	110.5460	0.140	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3642	0.101	4	110.5460	0.140	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|S<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,3|H<1>}	H(C[5]C[5]2H)	110.0487	0.099	4	110.5460	0.140	29	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6340	0.072	4	110.6340	0.005	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|S<3>}	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8260	1.470	4	110.8260	2.160	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4042	0.283	101	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3265	0.108	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.7600	0.387	3	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5382	0.320	25	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	111.1330	0.113	2	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4891	0.196	34	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[5]C[5]2H)	110.4631	0.243	7	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	110.2473	0.609	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6359	0.691	34	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3799	0.770	78	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|F<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[5]C[5]2H)	111.3268	2.227	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8636	0.275	11	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2246	0.241	8	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5940	0.653	111	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Co<6>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	110.5408	0.163	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ge<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ge<2>,3|H<1>}	H(C[5]C[5]2H)	110.6230	0.587	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ge<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ge<4>,3|H<1>}	H(C[5]C[5]2H)	110.5075	0.301	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ir<5>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ir<5>,3|H<1>}	H(C[5]C[5]2H)	110.6262	0.151	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Li<3>,1|Li<4>,1|H<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Li<3>,1|Li<4>,1|H<2>,2|H<1>}	H(C[5]C[5]2H)	110.6987	0.246	7	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	110.7994	1.000	46	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.1490	0.000	1	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7713	0.315	15	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.2941	1.365	138	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.5826	0.283	36	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1538	1.487	23	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5385	0.505	49	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|O<4>,3|H<1>}	H(C[5]C[5]2H)	110.6236	0.498	12	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|P<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|P<2>,3|H<1>}	H(C[5]C[5]2H)	110.9868	0.185	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	110.6793	0.602	322	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Rh<5>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Rh<5>,3|H<1>}	H(C[5]C[5]2H)	110.6640	0.193	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Rh<6>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]2H)	110.5480	0.221	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2H)	110.7307	0.293	7	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|S<3>,3|H<1>}	H(C[5]C[5]2H)	110.7179	0.362	12	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.3653	0.107	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	110.4166	0.630	101	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<5>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Si<5>,3|H<1>}	H(C[5]C[5]2H)	110.2313	0.556	8	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Sn<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Sn<2>,3|H<1>}	H(C[5]C[5]2H)	110.9540	0.391	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Sn<5>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Sn<5>,3|H<1>}	H(C[5]C[5]2H)	110.9357	0.369	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.2058	0.471	34	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7462	0.640	13	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.6265	0.107	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|S<3>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|S<3>}	H(C[5]C[5]2H)	112.0505	2.395	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(H)2{3|H<1>}	H(C[5]C[5]2H)	109.8528	0.752	4	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6369	1.081	217	110.5652	0.667	1519	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]IrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ir<5>,3|H<1>}	C[5](C[5]C[5]IrH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5927	0.150	3	110.5927	0.023	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]MoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Mo<10>,1|C<4>,1|H<1>}	C[5](C[5]C[5]MoC)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.9550	0.044	2	110.9550	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Mo<10>,1|C<4>,1|H<1>}	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9305	0.011	2	110.9352	0.002	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Mo<11>,2|H<1>}	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.9368	0.049	6	110.9352	0.002	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5877	0.048	3	110.5877	0.002	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4871	0.616	8	110.3675	0.189	22	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4067	0.260	10	110.3675	0.189	22	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.0300	0.206	4	110.3675	0.189	22	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8637	0.343	4	110.4823	0.551	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6082	0.516	6	110.4823	0.551	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	108.5840	0.228	2	110.4823	0.551	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8035	0.327	4	110.4823	0.551	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5403	0.176	4	110.4823	0.551	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<3>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|P<3>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9730	0.042	2	110.4838	0.144	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<4>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2392	0.022	4	110.4838	0.144	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]PdC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Pd<8>,2|C<5>}	C[5](C[5]C[5]PdC)(C[5]C[5]HH)(H)2{1|C<5>,2|H<1>}	H(C[5]C[5]2H)	111.3208	0.478	4	111.3208	0.229	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Rh<5>,3|H<1>}	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6710	0.100	4	110.6004	0.055	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Rh<6>,3|H<1>}	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5298	0.323	4	110.6004	0.055	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ru<10>,2|C<4>}	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4450	0.013	3	110.5614	0.042	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ru<7>,1|C<4>,1|C<5>}	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<5>,2|H<1>}	H(C[5]C[5]2H)	110.6488	0.247	4	110.5614	0.042	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|Se<4>,2|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Br<1>,3|H<1>}	H(C[5]C[5]2H)	110.7760	0.035	2	110.7795	0.001	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|Se<4>,2|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	H(C[5]C[5]2H)	110.7830	0.023	2	110.7795	0.001	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.2793	0.564	87	110.2720	0.312	95	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<5>,3|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1926	0.525	8	110.2720	0.312	95	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5220	0.064	2	110.5220	0.004	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Sn<2>,3|H<1>}	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9210	0.390	4	110.9230	0.118	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Sn<5>,3|H<1>}	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9250	0.350	4	110.9230	0.118	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3555	0.009	2	110.2977	0.052	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4440	0.070	4	110.2977	0.052	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9475	0.115	2	110.2977	0.052	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.6519	0.220	12	110.6519	0.048	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	113.4220	2.510	2	113.4220	6.301	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6810	0.016	3	110.6810	0.000	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9330	0.285	3	110.9330	0.081	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0132	0.149	4	110.8294	0.061	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0093	0.081	10	110.8294	0.061	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5920	0.010	2	110.8294	0.061	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0294	0.052	5	110.8294	0.061	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.5514	0.116	11	110.8294	0.061	32	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2670	0.000	1	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0545	0.022	2	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4405	0.015	2	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9335	0.386	4	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.0473	0.180	4	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4357	0.279	61	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6805	0.009	2	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5668	0.716	10	110.5208	0.150	86	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6350	0.034	3	110.6350	0.001	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6658	0.254	4	110.6658	0.064	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	115.1352	1.696	4	115.1352	2.876	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,3|H<1>}	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2{3|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.8292	0.329	10	110.8292	0.108	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]IrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]IrH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ir<5>,3|H<1>}	H(C[5]C[5]2H)	110.9977	0.114	4	110.9977	0.013	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]MoC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]MoC)(C[5]C[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Mo<10>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8850	0.033	2	110.8850	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Mo<10>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.2840	0.016	2	110.8611	0.057	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Mo<11>,2|H<1>}	H(C[5]C[5]2H)	110.7765	0.149	10	110.8611	0.057	12	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8445	0.107	4	110.8445	0.012	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6942	0.161	4	110.6942	0.026	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Al<5>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7579	0.182	22	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9560	0.212	22	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9582	0.167	6	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.3208	0.338	4	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.2500	0.000	1	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6388	0.035	4	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Co<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.5800	0.011	2	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<10>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.5569	1.122	10	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<5>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.2516	1.933	8	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6471	0.182	30	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<7>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7445	0.196	8	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mg<5>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.1567	0.357	3	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mn<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mn<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6743	0.196	17	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mo<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.8360	0.405	7	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.2110	0.000	1	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	111.0400	0.004	2	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.9038	0.320	4	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	112.1525	0.411	2	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.5542	0.021	6	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zn<4>,2|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0280	0.057	2	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|H<1>}	H(C[5]C[5]2H)	110.7387	0.118	3	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0817	0.223	4	110.8249	0.322	168	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.7265	0.226	6	110.5681	2.063	22	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0473	0.258	12	110.5681	2.063	22	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	108.8930	3.066	4	110.5681	2.063	22	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.7790	0.062	2	111.1041	0.739	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.8880	0.078	2	111.1041	0.739	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5685	0.054	2	111.1041	0.739	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	112.1810	1.401	2	111.1041	0.739	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8977	0.257	3	110.8498	0.037	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.7780	0.014	2	110.8498	0.037	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.7570	0.361	15	110.7570	0.130	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.4913	0.159	4	110.9816	0.433	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.6887	0.092	6	110.9816	0.433	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0015	0.403	4	110.9816	0.433	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	112.6255	0.152	2	110.9816	0.433	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0697	0.475	4	110.9816	0.433	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.0565	0.023	2	111.0565	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.6037	0.200	3	110.8075	0.076	33	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	110.8278	0.277	30	110.8075	0.076	33	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.0885	0.063	4	111.5145	0.769	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|C<4>}	H(C[5]C[5]2H)	112.3665	1.288	2	111.5145	0.769	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.8754	0.152	7	110.8754	0.023	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.5388	1.348	8	111.5388	1.816	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.2342	0.152	5	111.2342	0.023	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.0689	0.235	15	111.0689	0.055	15	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2320	0.323	8	111.2320	0.104	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.8487	0.055	3	110.8487	0.003	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.5250	0.004	2	111.5250	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.7155	0.018	2	110.7155	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	109.6000	0.502	2	110.1123	0.133	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.1453	0.346	10	110.1123	0.133	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.2858	0.059	4	110.1123	0.133	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|P<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<3>}	H(C[5]C[5]2H)	110.9068	0.059	4	110.9334	0.015	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]2H)	110.9600	0.171	4	110.9334	0.015	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]PdC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]PdC)(C[5]C[5]HH)(H)2{1|C<5>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Pd<8>,2|C<5>}	H(C[5]C[5]2H)	111.9008	0.592	4	111.9008	0.351	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Rh<5>,3|H<1>}	H(C[5]C[5]2H)	110.7210	0.169	4	110.8959	0.086	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]2H)	111.1290	0.272	3	110.8959	0.086	7	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ru<10>,2|C<4>}	H(C[5]C[5]2H)	110.9325	0.110	4	110.7894	0.074	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<5>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Ru<7>,1|C<4>,1|C<5>}	H(C[5]C[5]2H)	110.6462	0.327	4	110.7894	0.074	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Br<1>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|Se<4>,2|H<1>}	H(C[5]C[5]2H)	110.8180	0.018	2	110.7745	0.003	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|Se<4>,2|H<1>}	H(C[5]C[5]2H)	110.7310	0.016	2	110.7745	0.003	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	110.6231	0.330	86	110.6226	0.101	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Si<5>,3|H<1>}	H(C[5]C[5]2H)	110.6156	0.123	7	110.6226	0.101	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.6600	0.044	2	110.6600	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Sn<2>,3|H<1>}	H(C[5]C[5]2H)	109.6055	0.215	4	110.2106	0.483	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Sn<5>,3|H<1>}	H(C[5]C[5]2H)	110.8158	0.324	4	110.2106	0.483	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.8045	0.022	2	110.4804	0.088	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.2643	0.015	3	110.4804	0.088	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5875	0.019	2	110.6287	0.003	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6485	0.064	4	110.6287	0.003	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6305	0.057	2	110.6287	0.003	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8715	0.335	11	110.8715	0.112	11	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.1450	0.007	2	111.1450	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.9283	3.923	4	111.0492	4.288	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9640	0.219	3	111.0492	4.288	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5768	0.154	4	111.0492	4.288	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.3640	0.419	2	111.0492	4.288	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	111.5669	1.976	8	111.5669	3.906	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<6>,1|H<1>}	H(C[5]C[5]2H)	110.8678	0.153	4	110.8678	0.024	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.9595	4.614	2	110.9595	21.288	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.8000	0.006	3	110.8000	0.000	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7695	0.097	2	111.0158	0.286	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	112.1040	0.150	2	111.0158	0.286	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9973	0.114	6	111.0158	0.286	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4913	0.098	3	111.0158	0.286	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.0280	0.040	2	111.0280	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	111.1820	0.000	1	111.1820	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8350	0.098	2	110.8350	0.010	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.6995	0.029	2	110.6995	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|C<3>}	H(C[5]C[5]2H)	111.3950	0.000	1	111.3950	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5]2H)	109.2560	0.000	1	109.2560	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.9223	0.049	4	110.9223	0.002	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	113.7655	1.135	2	113.7655	1.288	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.3505	0.028	2	110.7954	0.048	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5]2H)	110.7720	0.098	4	110.7954	0.048	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.9099	0.123	8	110.7954	0.048	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.7488	0.163	10	110.7954	0.048	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8439	0.264	11	110.7954	0.048	35	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.1900	0.031	2	110.1900	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9390	0.101	4	110.9390	0.010	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4685	0.664	2	110.8132	1.193	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8692	1.169	6	110.8132	1.193	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9900	1.772	2	110.8132	1.193	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7258	0.229	4	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6825	0.037	2	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	110.8865	0.022	2	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7113	0.307	3	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.3280	0.030	2	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6535	0.009	2	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8089	0.289	56	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6702	0.667	9	110.7683	0.116	80	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2972	0.091	4	110.4694	0.154	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	111.1580	0.000	1	110.4694	0.154	5	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.9670	0.027	3	110.9670	0.001	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	110.3938	0.244	6	110.8021	1.936	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.8355	0.037	6	110.8021	1.936	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	111.0831	2.231	8	110.8021	1.936	20	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.9799	0.178	9	110.9799	0.032	9	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8500	0.421	4	110.8010	0.112	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.7030	0.021	2	110.8010	0.112	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0265	0.016	2	111.0101	0.030	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5200	0.021	2	111.0101	0.030	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9617	0.124	4	111.0101	0.030	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<3>}	H(C[5]C[5]2H)	111.0278	0.064	6	111.0101	0.030	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.0555	0.025	4	111.0101	0.030	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6380	0.000	1	111.0101	0.030	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0822	0.123	17	111.0101	0.030	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.9185	0.037	2	110.9185	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.4615	0.023	2	110.9310	0.139	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1658	0.104	4	110.9310	0.139	6	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5120	0.021	4	111.0395	0.607	82	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.8202	0.359	34	111.0395	0.607	82	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.4607	1.142	28	111.0395	0.607	82	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8865	0.342	8	111.0395	0.607	82	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9144	0.347	8	111.0395	0.607	82	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]2H)	111.2240	0.037	2	111.2240	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.2340	0.223	3	111.2340	0.050	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.3105	0.039	2	111.3105	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3588	0.251	8	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3356	0.193	15	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.3285	0.035	4	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2213	0.120	7	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.3129	0.294	7	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.1667	0.433	27	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4240	0.213	7	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	109.7894	0.368	7	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.0714	0.459	11	110.2122	0.130	93	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.5230	0.034	2	110.5230	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5]2H)	109.4920	0.000	1	109.4920	0.000	1	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Ge<2>,2|Si<4>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Ge<2>,2|Si<4>}	H(C[5]C[5]2H)	109.1506	1.224	8	108.5936	4.823	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	H(C[5]C[5]2H)	108.7933	0.157	4	108.5936	4.823	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	H(C[5]C[5]2H)	107.2798	4.173	4	108.5936	4.823	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7925	0.046	4	110.7008	0.033	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|Si<4>,2|H<1>}	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	110.7965	0.240	4	110.7008	0.033	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{2|B<4>,2|H<1>}	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{2|B<4>,2|H<1>}	H(C[5]C[5]2H)	110.6327	0.172	11	110.7008	0.033	19	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4812	1.108	30	110.4812	1.229	30	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.8895	0.009	2	110.8895	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4265	0.006	2	110.4265	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6086	1.185	134	110.6086	1.405	134	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4140	0.016	2	110.5890	0.042	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|In<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.7640	0.047	2	110.5890	0.042	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|H<1>,2|C<4>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8230	0.061	2	110.7600	0.007	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|In<4>,1|H<1>,2|C<4>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6970	0.024	2	110.7600	0.007	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9605	0.177	4	110.5117	0.245	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0695	0.578	4	110.5117	0.245	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2881	0.349	18	110.5117	0.245	26	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]NiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]NiH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|H<1>}	H(C[5]C[5]2H)	111.2745	0.110	4	111.2745	0.012	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.1875	0.006	2	111.1875	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.2922	0.885	4	110.5506	3.057	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	110.7235	4.296	2	110.5506	3.057	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	110.6489	1.606	7	110.5506	3.057	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]SnH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]SnH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|H<1>}	H(C[5]C[5]2H)	110.9040	2.910	2	110.9040	8.471	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<10>,1|N<3>}	H(C[5]C[5]2H)	111.5255	0.105	6	111.5792	0.594	24	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<11>,1|N<3>}	H(C[5]C[5]2H)	111.9209	1.116	10	111.5792	0.594	24	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<9>,1|N<3>}	H(C[5]C[5]2H)	111.1924	0.061	8	111.5792	0.594	24	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.4210	0.014	2	110.4210	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.2047	0.402	3	111.2047	0.161	3	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.0205	0.015	2	111.0205	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.0300	0.023	2	111.0300	0.001	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2698	0.051	8	111.2698	0.003	8	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2H)	110.7185	0.040	2	110.7185	0.002	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.4158	1.501	4	110.4158	2.254	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2951	0.164	10	111.2951	0.027	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,2|Si<4>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,2|Si<4>}	H(C[5]C[5]2H)	110.0840	0.034	3	109.6888	0.028	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<4>,2|Si<4>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<4>,2|Si<4>}	H(C[5]C[5]2H)	109.7352	0.051	6	109.6888	0.028	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<5>,2|Si<4>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<5>,2|Si<4>}	H(C[5]C[5]2H)	109.6827	0.105	6	109.6888	0.028	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	H(C[5]C[5]2H)	109.5628	0.101	9	109.6888	0.028	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	H(C[5]C[5]2H)	109.6644	0.138	12	109.6888	0.028	36	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	109.3623	0.075	4	109.3877	0.047	49	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	109.3228	0.240	25	109.3877	0.047	49	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	109.3273	0.066	4	109.3877	0.047	49	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	H(C[5]C[5]2H)	109.2710	0.075	3	109.3877	0.047	49	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|C<3>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|C<3>}	H(C[5]C[5]2H)	109.5659	0.151	13	109.3877	0.047	49	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	H(C[5]C[5]2H)	109.3272	0.090	4	109.3272	0.008	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	109.5312	0.274	4	109.5312	0.075	4	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<2>,2|Si<4>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<2>,2|Si<4>}	H(C[5]C[5]2H)	109.5260	0.218	4	109.8611	1.581	41	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	109.4069	0.117	15	109.8611	1.581	41	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	109.2760	0.073	3	109.8611	1.581	41	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	H(C[5]C[5]2H)	110.7543	2.099	12	109.8611	1.581	41	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	H(C[5]C[5]2H)	109.5760	0.013	3	109.8611	1.581	41	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{4|Si<4>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{4|Si<4>}	H(C[5]C[5]2H)	109.8725	0.059	4	109.8611	1.581	41	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	108.3745	0.022	2	108.3745	0.000	2	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	H(C[5]C[5]2H)	109.4227	0.007	3	109.5111	0.024	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	109.3727	0.206	3	109.5111	0.024	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	109.4345	0.041	4	109.5111	0.024	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	H(C[5]C[5]2H)	109.6757	0.045	6	109.5111	0.024	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	109.6977	0.051	4	109.5784	0.020	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	109.5345	0.022	4	109.5784	0.020	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>,1|O<2>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>,1|O<2>}	H(C[5]C[5]2H)	109.3852	0.062	4	109.5784	0.020	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<3>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<3>}	H(C[5]C[5]2H)	109.6960	0.055	4	109.5784	0.020	16	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.3070	0.042	2	109.9760	0.112	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|Cl<1>,2|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|Cl<1>,2|H<1>}	H(C[5]C[5]2H)	109.9133	0.038	3	109.9760	0.112	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.1668	0.144	8	109.9760	0.112	13	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,3|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,3|Si<4>}	H(C[5]C[5]2H)	109.5891	0.124	13	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<3>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<3>,2|Si<4>}	H(C[5]C[5]2H)	109.6322	0.119	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<7>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<7>,2|Si<4>}	H(C[5]C[5]2H)	109.6198	0.097	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pd<3>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pd<3>,2|Si<4>}	H(C[5]C[5]2H)	109.6557	0.029	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<3>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<3>,2|Si<4>}	H(C[5]C[5]2H)	109.5940	0.122	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<5>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<5>,2|Si<4>}	H(C[5]C[5]2H)	109.5023	0.045	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Se<1>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Se<1>,2|Si<4>}	H(C[5]C[5]2H)	109.3555	0.754	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	H(C[5]C[5]2H)	109.2980	0.107	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<3>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	109.2973	0.169	45	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Te<1>,2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Te<1>,2|Si<4>}	H(C[5]C[5]2H)	109.1617	0.317	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<2>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<2>}	H(C[5]C[5]2H)	109.1780	0.030	3	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	H(C[5]C[5]2H)	109.3920	0.055	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|H<1>,1|N<3>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	109.4163	0.036	3	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>}	H(C[5]C[5]2H)	109.4438	0.071	13	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|O<1>,1|O<2>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	109.4700	0.013	3	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|S<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|S<1>}	H(C[5]C[5]2H)	109.4430	0.020	2	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	H(C[5]C[5]2H)	110.2452	2.749	4	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|H<1>}	H(C[5]C[5]2H)	109.1490	0.029	3	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|O<2>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|O<2>}	H(C[5]C[5]2H)	109.4070	0.000	1	109.4251	0.253	126	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2{3|O<2>,4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	110.6888	0.225	10	110.6888	0.051	10	110.7908	0.933	28561	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I)	H(C[5]C[5]2H)	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2470	0.011	2	111.2470	0.000	2	111.0693	0.029	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8685	0.045	2	110.8685	0.002	2	111.0693	0.029	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.0925	0.008	2	111.0925	0.000	2	111.0693	0.029	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2892	2.495	12	111.2892	6.223	12	111.2892	6.223	12	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	109.1537	2.932	3	109.1537	8.594	3	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4153	0.132	4	110.4153	0.018	4	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3885	0.040	4	110.3885	0.002	4	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1980	0.030	2	111.1980	0.001	2	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|F<1>,3|H<1>}	H(C[5]C[5]2H)	110.5997	0.046	6	110.5997	0.002	6	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	H(C[5]C[5]2H)	110.7000	0.299	8	110.7000	0.089	8	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7308	1.693	12	110.7308	2.868	12	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|B<5>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7970	0.019	3	110.7543	0.008	6	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|B<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7117	0.114	3	110.7543	0.008	6	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5570	0.464	8	110.5781	0.170	10	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6625	0.026	2	110.5781	0.170	10	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.1595	0.046	8	111.1595	0.002	8	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7482	0.219	4	110.4734	3.293	243	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4688	1.829	239	110.4734	3.293	243	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7941	0.437	17	110.5410	0.204	178	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4828	0.426	146	110.5410	0.204	178	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8205	0.536	15	110.5410	0.204	178	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9205	0.125	6	110.9205	0.016	6	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8216	0.213	8	110.6211	1.125	249	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7718	1.109	109	110.6211	1.125	249	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4782	0.912	31	110.6211	1.125	249	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	109.3621	2.427	8	110.6211	1.125	249	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,2|P<4>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]2H)	110.1533	0.648	6	110.6211	1.125	249	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6127	0.837	87	110.6211	1.125	249	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	109.4591	0.057	8	109.4591	0.003	8	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4180	0.000	1	110.4180	0.000	1	110.5457	1.589	748	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]B[5]CC)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(P[5]B[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.6870	0.000	1	109.6870	0.000	1	110.6380	0.351	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]BC)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(P[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0727	0.213	4	111.0727	0.045	4	110.6380	0.351	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]O[5]CW)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,1|W<6>}	C[5](C[5]C[5]HH)(P[5]O[5]CW)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.2440	0.021	2	110.2440	0.000	2	110.6380	0.351	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3740	0.038	2	109.8697	0.814	22	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5765	0.021	2	109.8697	0.814	22	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.7352	0.947	18	109.8697	0.814	22	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|F<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.2800	0.006	2	110.0380	0.205	10	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4168	0.102	4	110.0380	0.205	10	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.5383	0.201	4	110.0380	0.205	10	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]N[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[5]HH)(S[5]N[5]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5745	0.033	2	110.5745	0.001	2	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(S[5]O[5]OO)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2{2|O<1>}	C[5](C[5]C[5]HH)(S[5]O[5]OO)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.5057	0.111	8	110.5057	0.012	8	110.0645	0.535	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	C[5](N[4,5]B[4,5a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{2|B<4>,2|H<1>}	C[5](N[4,5]B[4,5a]2C[5])(C[5]C[5]HH)(H)2{1|N<4>,4|H<1>,4|O<2>}	H(C[5]C[5]2H)	110.4857	0.155	6	110.4857	0.024	6	110.6802	0.029	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	C[5](N[4,5]B[4]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{2|B<4>,2|H<1>}	C[5](N[4,5]B[4]2C[5])(C[5]C[5]HH)(H)2{4|Br<1>,1|N<4>,4|H<1>}	H(C[5]C[5]2H)	110.7568	0.033	6	110.7568	0.001	6	110.6802	0.029	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	C[5](N[4,5]C[4,6,6]B[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](N[4,5]C[4,6,6]B[4]C[5])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7957	0.069	3	110.7957	0.005	3	110.6802	0.029	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	C[5](N[4,5]Ga[4]Si[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|Si<4>,2|H<1>}	C[5](N[4,5]Ga[4]Si[4]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.7705	0.141	4	110.7705	0.020	4	110.6802	0.029	19	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5985	0.056	2	110.5985	0.003	2	110.5985	0.003	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|In<5>,1|H<1>,2|C<4>}	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.9817	0.303	3	110.9817	0.092	3	110.0165	0.658	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5]2H)	109.9231	0.785	31	109.9231	0.616	31	110.0165	0.658	34	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.9240	0.010	2	109.9240	0.000	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1060	0.033	2	111.1060	0.001	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.9700	0.028	2	110.9700	0.001	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|B<4>}	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3615	0.037	2	110.3615	0.001	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4875	0.093	2	110.4875	0.009	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.8727	0.508	3	109.8727	0.258	3	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9190	1.677	2	110.9190	2.813	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1179	0.873	18	111.1179	0.762	18	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9153	0.289	3	111.1741	1.369	7	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.3683	1.601	4	111.1741	1.369	7	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8880	2.226	2	110.8880	4.955	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.7420	0.694	2	111.7420	0.482	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3535	0.046	2	111.3535	0.002	2	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{3|C<3>,7|H<1>}	H(C[5]C[5]2H)	110.4250	0.016	2	110.5648	2.026	136	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.5669	1.434	134	110.5648	2.026	136	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)2(H)2	C[5](N[5,5]N[5,5]B[5]Fe)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)2(H)2{1|Fe<10>,2|B<4>}	C[5](N[5,5]N[5,5]B[5]Fe)(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9779	0.088	8	110.9779	0.008	8	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)2(H)2	C[5](N[5,5]N[5,5]B[5]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)2(H)2{1|Ru<10>,2|B<4>}	C[5](N[5,5]N[5,5]B[5]Ru)(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1388	0.034	4	111.1388	0.001	4	110.6838	1.655	194	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2525	0.009	2	110.2525	0.000	2	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4230	0.006	2	110.8877	0.489	7	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1850	0.832	4	110.8877	0.489	7	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6280	0.000	1	110.8877	0.489	7	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|F<1>,6|H<1>}	H(C[5]C[5]2H)	110.9985	0.168	4	110.9985	0.028	4	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.2656	0.386	20	110.2656	0.149	20	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[5]C[5]2H)	110.3752	0.427	4	110.3752	0.183	4	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|H<1>,2|C<4>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.8115	0.052	2	110.8115	0.003	2	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|In<4>,1|H<1>,2|C<4>}	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.6435	0.023	2	110.6435	0.001	2	110.4984	0.249	41	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2{4|C<4>}	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1555	1.183	2	110.1555	1.399	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6805	0.028	2	110.6805	0.001	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5525	0.030	2	110.5525	0.001	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5015	0.028	2	110.5015	0.001	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6487	0.112	3	110.7870	0.091	27	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|H<1>,2|C<4>}	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8043	0.315	24	110.7870	0.091	27	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5497	0.029	3	110.5497	0.001	3	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0187	0.187	4	111.0187	0.035	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6735	0.072	4	110.7713	0.063	12	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8203	0.299	8	110.7713	0.063	12	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|H<1>,2|C<4>}	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5095	0.217	10	110.5095	0.047	10	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1852	0.039	4	110.9847	2.330	36	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1239	2.066	15	110.9847	2.330	36	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7325	0.046	2	110.9847	2.330	36	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,3|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8256	1.220	15	110.9847	2.330	36	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|H<1>,2|C<4>}	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4357	0.417	8	110.5815	0.159	12	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8730	0.075	4	110.5815	0.159	12	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8135	7.203	4	110.8860	31.143	6	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0310	0.028	2	110.8860	31.143	6	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]DyC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Dy<17>,1|C<5>,2|H<1>}	C[5](N[5]C[5]DyC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8673	0.175	3	110.8673	0.031	3	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9937	0.116	6	110.7953	0.310	76	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7717	0.037	4	110.7953	0.310	76	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|H<1>,2|C<4>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6564	1.055	17	110.7953	0.310	76	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.4410	0.079	4	110.7953	0.310	76	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|H<1>,2|C<4>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7347	0.256	31	110.7953	0.310	76	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9254	0.277	8	110.7953	0.310	76	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|H<1>,2|C<4>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7147	0.252	6	110.7953	0.310	76	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1800	0.123	2	110.1800	0.015	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,1|C<3>,2|H<1>}	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9675	0.235	4	110.8550	0.083	8	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,3|H<1>}	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7425	0.324	4	110.8550	0.083	8	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Li<4>,1|H<1>,2|C<4>}	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7938	0.084	11	110.7938	0.007	11	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]LuSi)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Lu<13>,1|Si<5>,2|H<1>}	C[5](N[5]C[5]LuSi)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7338	0.160	4	110.7338	0.026	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MgB)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|B<4>,2|H<1>}	C[5](N[5]C[5]MgB)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9115	0.387	4	110.9115	0.149	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<5>,1|H<1>,2|C<4>}	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8623	0.188	12	110.8401	0.043	20	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8070	0.246	8	110.8401	0.043	20	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mn<6>,1|H<1>,2|C<4>}	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7847	0.176	21	110.7847	0.031	21	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8427	0.096	8	110.9261	0.038	16	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>,2|C<4>}	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0094	0.239	8	110.9261	0.038	16	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6420	0.331	4	110.6420	0.110	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9346	0.602	67	110.9118	0.323	80	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|C<4>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2940	0.027	2	110.9118	0.323	80	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5805	0.105	4	110.9118	0.323	80	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1905	0.052	4	110.9118	0.323	80	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8847	0.029	3	110.9118	0.323	80	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9913	0.300	9	110.9913	0.090	9	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]PdC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]PdC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8438	0.140	4	110.8438	0.020	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.0600	0.054	4	110.8537	0.130	34	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9994	0.268	14	110.8537	0.130	34	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6161	0.391	14	110.8537	0.130	34	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0845	0.005	2	110.8537	0.130	34	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.5275	0.011	2	111.5275	0.000	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5725	0.040	2	110.8092	0.057	6	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<7>,1|C<4>,2|H<1>}	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.9275	0.196	4	110.8092	0.057	6	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2200	0.023	2	111.0244	0.032	5	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8940	0.021	3	111.0244	0.032	5	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8885	0.193	4	110.8908	0.020	9	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8926	0.113	5	110.8908	0.020	9	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,3|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.4913	0.084	4	110.7261	5.967	18	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,1|C<4>,2|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5470	5.708	4	110.7261	5.967	18	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,3|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8695	0.294	4	110.7261	5.967	18	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,2|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2700	0.064	2	110.7261	5.967	18	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7248	0.894	4	110.7261	5.967	18	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]SbC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sb<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]SbC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7963	0.252	8	110.7963	0.064	8	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|B<4>,2|H<1>}	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.2412	1.184	4	110.2412	1.402	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]SiY)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|Y<13>,2|H<1>}	C[5](N[5]C[5]SiY)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7700	0.055	4	110.7700	0.003	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]SnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]SnC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8379	0.110	7	110.8379	0.012	7	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6668	0.078	4	110.5529	0.510	24	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5509	0.099	8	110.5529	0.510	24	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5455	0.080	4	110.5529	0.510	24	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5016	1.285	8	110.5529	0.510	24	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1765	0.057	2	110.7703	0.074	13	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6621	0.167	8	110.7703	0.074	13	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,3|H<1>}	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7880	0.364	3	110.7703	0.074	13	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZrC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|H<1>}	C[5](N[5]C[5]ZrC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6880	0.048	4	110.6880	0.002	4	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1335	0.005	2	111.1335	0.000	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|Pd<4>,3|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.7665	0.037	2	110.7665	0.001	2	110.8114	0.829	522	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|Li<5>,2|H<1>}	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2317	0.045	3	110.9555	0.051	12	110.9250	0.132	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<4>,2|H<1>}	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.0650	0.004	2	110.9555	0.051	12	110.9250	0.132	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<5>,2|H<1>}	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.8059	0.154	7	110.9555	0.051	12	110.9250	0.132	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<5>,2|H<1>}	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	111.2752	0.031	5	110.8884	0.244	10	110.9250	0.132	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<6>,2|H<1>}	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.2630	0.068	2	110.8884	0.244	10	110.9250	0.132	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<7>,2|H<1>}	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.6607	0.501	3	110.8884	0.244	10	110.9250	0.132	22	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2	C[5](P[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2{1|H<1>,1|S<1>,2|C<4>}	C[5](P[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	108.9852	3.181	4	108.9852	10.119	4	108.9852	10.119	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,3|C<3>}	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.0600	0.018	2	110.0600	0.000	2	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](P[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8880	0.024	2	109.8880	0.001	2	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](P[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0915	0.033	2	110.0915	0.001	2	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[5]AuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Au<3>,1|C<4>,2|H<1>}	C[5](P[5]C[5]AuC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.3079	1.017	8	109.3079	1.034	8	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1590	0.318	21	110.1590	0.101	21	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<4>,2|H<1>}	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1537	1.563	20	110.2119	1.556	31	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3176	0.100	11	110.2119	1.556	31	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6980	0.051	4	110.6980	0.003	4	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2255	0.169	4	109.9498	0.079	12	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8120	0.217	8	109.9498	0.079	12	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1015	0.009	2	110.1015	0.000	2	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.2770	0.112	4	110.2770	0.012	4	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.2873	0.252	4	110.2873	0.064	4	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.2780	1.006	4	109.2780	1.011	4	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|Pd<4>,2|H<1>,3|C<3>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8315	0.023	2	109.8315	0.001	2	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2{1|P<4>,2|C<3>}	C[5](P[5]C[6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.1465	0.234	2	110.1465	0.055	2	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]HH)2(H)2	C[5](P[5]C[6a]P[5]W)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]P[5]HH)2(H)2{2|C<3>,2|W<6>}	C[5](P[5]C[6a]P[5]W)(C[5]C[5]HH)(H)2{1|W<6>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	108.8720	0.051	3	108.8720	0.003	3	110.0270	0.731	103	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2	C[5](S[5]C[5,5,6]OO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2{2|C<4>,2|O<1>}	C[5](S[5]C[5,5,6]OO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4650	0.088	2	110.4650	0.008	2	110.3552	0.110	44	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](S[5]C[5]FeO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Fe<6>,1|O<1>,2|H<1>}	C[5](S[5]C[5]FeO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.0390	0.393	4	110.0390	0.154	4	110.3552	0.110	44	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](S[5]C[5]Pt2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,1|Pt<5>,2|H<1>}	C[5](S[5]C[5]Pt2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.2978	0.098	4	110.2978	0.010	4	110.3552	0.110	44	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](S[5]C[5]Ru2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|Ru<6>,2|H<1>}	C[5](S[5]C[5]Ru2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.5307	0.085	3	110.5307	0.007	3	110.3552	0.110	44	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	C[5](S[5]C[5]RuO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,1|O<1>,2|H<1>}	C[5](S[5]C[5]RuO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.3794	0.351	31	110.3794	0.123	31	110.3552	0.110	44	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	H(C[5]C[5]2H)	108.4430	0.058	2	108.4430	0.003	2	108.4430	0.003	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|Cl<1>,2|H<1>}	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	109.9370	0.042	3	109.9370	0.002	3	109.8505	0.122	13	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.1205	0.148	6	110.1205	0.022	6	109.8505	0.122	13	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	109.3805	0.046	4	109.3805	0.002	4	109.8505	0.122	13	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2	H(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2I)	109.2270	0.000	1	109.2270	0.000	1	108.8110	1.218	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2	H(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2I)	109.6460	0.000	1	109.6460	0.000	1	108.8110	1.218	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I)	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2	H(C[5]C[5]2I)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I){2|C<3>,2|H<1>}	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]2I)	107.5600	0.000	1	107.5600	0.000	1	108.8110	1.218	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2O)	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.3558	0.391	4	111.3558	0.153	4	111.3558	0.153	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.5810	3.068	6	110.5810	9.411	6	110.5810	9.411	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	113.6700	1.099	2	113.6700	1.207	2	112.2205	12.506	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	106.8450	0.000	1	106.8450	0.000	1	112.2205	12.506	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	H(C[5]C[5]2O)	115.1345	0.090	2	115.1345	0.008	2	112.2205	12.506	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	108.8690	0.000	1	108.8690	0.000	1	112.2205	12.506	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	111.0560	0.018	2	111.0560	0.000	2	111.4463	2.967	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	110.8783	0.218	4	110.8783	0.048	4	111.4463	2.967	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	111.3965	0.018	2	111.3965	0.000	2	111.4463	2.967	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2{2|C<4>,6|H<1>}	H(C[5]C[5]N[5]H)	113.0225	4.471	2	113.0225	19.990	2	111.4463	2.967	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.4715	0.035	2	110.4715	0.001	2	111.1676	1.646	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5960	0.041	2	110.5960	0.002	2	111.1676	1.646	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7515	0.013	2	110.7515	0.000	2	111.1676	1.646	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.5890	0.018	2	110.5890	0.000	2	111.1676	1.646	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	113.4300	1.390	2	113.4300	1.933	2	111.1676	1.646	10	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7320	0.049	4	110.7320	0.002	4	110.5336	0.193	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	109.7795	0.972	2	110.4542	0.253	10	110.5336	0.193	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){4|H<1>}	H(C[5]C[5]N[5]H)	110.6229	0.166	8	110.4542	0.253	10	110.5336	0.193	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	111.4912	1.248	4	111.4912	1.557	4	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.5354	1.883	11	111.5354	3.547	11	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|B<5>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5833	0.126	4	110.6026	0.017	8	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|B<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6220	0.149	4	110.6026	0.017	8	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6855	0.019	2	110.6254	0.065	10	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6104	0.287	8	110.6254	0.065	10	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.5932	0.115	8	110.5932	0.013	8	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5516	0.365	5	110.5516	0.133	5	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.8980	0.100	4	111.2236	4.765	238	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2291	2.201	234	111.2236	4.765	238	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7765	0.015	2	110.7765	0.000	2	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	110.4963	0.086	4	110.4963	0.007	4	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3522	0.040	4	110.3522	0.002	4	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8079	0.289	18	110.8885	0.257	177	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.1871	0.915	14	110.8885	0.257	177	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.8696	0.467	145	110.8885	0.257	177	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	111.1313	0.108	6	111.1313	0.012	6	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.2870	0.008	2	111.2870	0.000	2	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	111.2379	0.429	7	111.2379	0.184	7	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9729	0.237	7	111.1310	1.616	261	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1646	1.277	121	111.1310	1.616	261	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9740	0.814	32	111.1310	1.616	261	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]N[5]H)	113.1984	3.168	8	111.1310	1.616	261	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{2|H<1>,2|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	113.7565	1.356	6	111.1310	1.616	261	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	110.7834	0.656	87	111.1310	1.616	261	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	109.4824	0.060	8	109.4824	0.004	8	111.0648	2.233	755	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	112.3004	1.592	8	112.3004	2.535	8	112.3004	2.535	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]B[5]CC)(H)2	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]HH)(P[5]B[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]P[5]H)	110.4010	0.033	2	110.4010	0.001	2	110.9002	0.183	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]BC)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]HH)(P[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]H)	110.9570	0.394	4	110.9570	0.155	4	110.9002	0.183	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]O[5]CW)(H)2	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]HH)(P[5]O[5]CW)(H)2{2|H<1>}	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,1|W<6>}	H(C[5]C[5]P[5]H)	111.2860	0.051	2	111.2860	0.003	2	110.9002	0.183	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]P[5]HH)(P[5]P[5]CC)(H)2	C[5](C[5]P[5]HH)(P[5]P[5]CC)(H)2	H(C[5]C[5]P[5]H)	C[5](C[5]P[5]HH)(P[5]P[5]CC)(H)2{3|C<4>}	C[5](C[5]P[5]HH)(P[5]P[5]CC)(H)2{3|C<4>}	H(C[5]C[5]P[5]H)	109.8303	0.418	11	109.8303	0.175	11	109.8303	0.175	11	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(S[5]N[3,5]OO)(H)2	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[3,5]HH)(S[5]N[3,5]OO)(H)2{1|C<3>,1|C<4>}	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]S[5]H)	111.1625	0.023	2	111.1625	0.001	2	111.1625	0.001	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5]S[5]H)	110.8310	0.058	2	110.8310	0.003	2	110.8310	0.003	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5]S[5]H)	110.7440	0.072	2	110.7440	0.005	2	111.1237	1.040	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[5]C[5]S[5]H)	111.3135	1.260	4	111.3135	1.588	4	111.1237	1.040	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(S[5]C[5]OO)(H)2	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]ClH)(S[5]C[5]OO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H){2|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.5865	0.013	4	110.5865	0.000	4	110.5865	0.000	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.3700	0.016	2	110.8367	1.059	23	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.9995	0.012	2	110.8367	1.059	23	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.8687	1.125	19	110.8367	1.059	23	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.4550	0.026	4	110.7578	0.072	10	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|F<1>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|F<1>,2|O<1>,3|C<3>}	H(C[5]C[5]S[5]H)	110.8670	0.064	2	110.7578	0.072	10	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]S[5]H)	111.0060	0.041	4	110.7578	0.072	10	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]N[5]OO)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]N[5]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5]S[5]H)	110.8690	0.018	2	110.8690	0.000	2	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]O[5]OO)(H)2	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]O[5]OO)(H)2{2|H<1>}	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2{2|O<1>}	H(C[5]C[5]S[5]H)	111.3591	0.124	7	111.3591	0.015	7	110.9065	0.629	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]OO)(H)2	C[5](C[5]S[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]OO)(H)2{1|C<4>,1|H<1>,2|O<1>}	C[5](C[5]S[5]HH)(S[5]C[5]OO)(H)2{1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	111.8021	2.447	8	111.8021	5.988	8	111.8021	5.988	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	H(C[5]Si[5]C[5]H)	110.1071	0.310	16	110.1092	0.113	20	110.7910	6.303	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	H(C[5]Si[5]C[5]H)	110.1175	0.484	4	110.1092	0.113	20	110.7910	6.303	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]Si[5]C[5]H)	111.5540	1.711	4	111.5540	2.927	4	110.7910	6.303	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,1|C<3>,1|C<4>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,2|C<4>}	H(C[5]Si[5]C[5]H)	111.1895	7.420	2	111.6729	17.157	12	110.7910	6.303	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,1|C<3>,1|C<4>}	H(C[5]Si[5]C[5]H)	111.4645	5.122	2	111.6729	17.157	12	110.7910	6.303	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	H(C[5]Si[5]C[5]H)	111.8459	3.903	8	111.6729	17.157	12	110.7910	6.303	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|O<2>,5|H<1>}	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]N[3x5]C[5]H)	109.5404	0.068	7	109.5404	0.005	7	109.5404	0.005	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[4,5]B[4,5a]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]B[4,5a]2C[5])(C[5]C[5]HH)(H)2{1|N<4>,4|H<1>,4|O<2>}	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{2|B<4>,2|H<1>}	H(C[5]N[4,5]C[5]H)	111.0033	0.135	6	111.0033	0.018	6	110.7631	0.076	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[4,5]B[4]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]B[4]2C[5])(C[5]C[5]HH)(H)2{4|Br<1>,1|N<4>,4|H<1>}	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{2|B<4>,2|H<1>}	H(C[5]N[4,5]C[5]H)	110.8493	0.050	6	110.8493	0.003	6	110.7631	0.076	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[4,5]C[4,6,6]B[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]C[4,6,6]B[4]C[5])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]N[4,5]C[5]H)	110.3683	0.025	3	110.3683	0.001	3	110.7631	0.076	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[4,5]Ga[4]Si[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]Ga[4]Si[4]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|Si<4>,2|H<1>}	H(C[5]N[4,5]C[5]H)	110.5050	0.262	3	110.5050	0.068	3	110.7631	0.076	18	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2	H(C[5]N[5,3x6]C[5]H)	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]N[5,3x6]C[5]H)	110.6585	0.019	2	110.6585	0.000	2	110.6585	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]N[5,5,6]C[5]H)	110.9110	0.018	2	110.9110	0.000	2	110.9110	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,5,6]C[5]H)	111.0674	1.932	33	111.0674	3.732	33	111.0558	3.415	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|O<2>,5|H<1>}	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|In<5>,1|H<1>,2|C<4>}	H(C[5]N[5,5,6]C[5]H)	110.9280	0.177	3	110.9280	0.032	3	111.0558	3.415	36	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,2|N<4>,2|O<2>,3|C<4>}	H(C[5]N[5,5,6]C[5]H)	109.5750	0.105	7	109.5750	0.011	7	109.5750	0.011	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,4|C<4>}	H(C[5]N[5,5]C[5]H)	112.7182	0.823	4	112.7182	0.677	4	112.7182	0.677	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|B<4>}	H(C[5]N[5,5]C[5]H)	110.4850	0.007	2	110.4850	0.000	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	110.6140	0.025	2	110.6140	0.001	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.1250	0.014	2	110.1250	0.000	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	110.7100	0.126	4	110.7100	0.016	4	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	111.0125	0.012	2	111.0125	0.000	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	113.1455	6.457	2	113.1455	41.688	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	110.7655	2.531	2	110.7655	6.405	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.1780	0.018	2	111.1780	0.000	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	111.7977	1.648	19	111.7977	2.714	19	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.7025	0.202	2	111.7025	0.041	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	109.8683	4.769	4	109.9920	9.770	8	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5]C[5]H)	110.1157	0.118	4	109.9920	9.770	8	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	110.9165	0.030	2	110.9165	0.001	2	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	110.9481	2.086	127	110.9440	4.286	129	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{3|C<3>,7|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.6805	0.019	2	110.9440	4.286	129	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]B[5]Fe)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)2(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]B[5]Fe)(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)2(H)2{1|Fe<10>,2|B<4>}	H(C[5]N[5,5]C[5]H)	111.0086	0.114	7	111.0086	0.013	7	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]N[5,5]B[5]Ru)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5]HH)2(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]B[5]Ru)(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)2(H)2{1|Ru<10>,2|B<4>}	H(C[5]N[5,5]C[5]H)	111.0563	0.052	3	111.0563	0.003	3	111.0044	3.999	188	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,2|N<4>,2|O<2>,3|C<4>}	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	H(C[5]N[5,5]C[5]H)	110.3858	0.160	8	110.3858	0.026	8	110.3858	0.026	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	109.7275	0.021	2	109.7275	0.000	2	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	H(C[5]N[5,5]C[5]H)	107.7037	0.261	10	107.7037	0.068	10	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	109.9150	0.069	4	109.9150	0.005	4	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]N[5,5]C[5]H)	109.8173	0.014	3	109.4936	0.093	7	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,2|O<2>,3|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	109.2508	0.058	4	109.4936	0.093	7	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,2|C<4>,2|N<4>,3|H<1>}	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,2|C<4>,2|N<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	109.9184	0.494	14	109.9184	0.244	14	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	109.7844	0.092	9	109.7844	0.009	9	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	109.7400	0.043	4	109.7400	0.002	4	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	H(C[5]N[5,5]C[5]H)	109.1526	0.054	10	109.1382	0.010	22	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{3|Br<1>,1|N<4>,2|H<1>,3|C<4>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{3|Br<1>,1|N<4>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	109.1262	0.131	12	109.1382	0.010	22	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Te<2>,2|C<4>,2|N<4>,3|H<1>}	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Te<2>,2|C<4>,2|N<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	108.8550	0.023	2	108.8550	0.001	2	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	H(C[5]N[5,5]C[5]H)	109.9055	0.015	2	109.9055	0.000	2	109.3032	0.563	76	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2{1|N<4>,2|C<4>,2|O<2>}	H(C[5]N[5,5]C[5]H)	109.4487	0.232	3	109.4487	0.054	3	109.4292	0.028	5	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2{2|Te<2>,1|C<4>,2|N<4>,4|H<1>}	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2{2|Te<2>,1|C<4>,1|H<1>,2|N<4>}	H(C[5]N[5,5]C[5]H)	109.4000	0.025	2	109.4000	0.001	2	109.4292	0.028	5	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	H(C[5]N[5,6,6]C[5]H)	110.9119	0.071	7	110.9119	0.005	7	110.9119	0.005	7	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6,6]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,2|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]N[5,6,6]C[5]H)	108.8430	0.326	5	108.8430	0.106	5	108.8430	0.106	5	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.0307	1.232	96	111.0307	1.517	96	111.0307	1.517	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	110.9255	1.580	2	110.9255	2.498	2	110.9255	2.498	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|F<1>,6|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.5572	0.045	4	110.5572	0.002	4	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	110.4155	0.026	2	110.4155	0.001	2	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.8570	0.041	2	110.3904	0.699	8	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	109.9325	1.035	4	110.3904	0.699	8	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.8395	0.009	2	110.3904	0.699	8	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.6257	0.212	20	110.6257	0.045	20	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,2|F<1>,4|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	113.7470	3.024	4	113.7470	9.142	4	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.7555	0.029	2	110.7555	0.001	2	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,2|O<2>,5|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|In<4>,1|H<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	110.6430	0.021	2	110.6430	0.000	2	110.8686	1.714	42	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]N[5,6]C[5]H)	109.6841	0.466	8	109.6841	0.217	8	109.6841	0.217	8	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	109.3880	0.072	3	109.3880	0.005	3	109.3880	0.005	3	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>}	H(C[5]N[5,6]C[5]H)	109.4075	0.029	2	109.4075	0.001	2	109.4297	0.002	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	109.4520	0.052	2	109.4520	0.003	2	109.4297	0.002	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2{4|C<4>}	H(C[5]C[5]N[5]H)	113.1255	2.839	2	113.1255	8.060	2	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	110.7465	0.063	2	110.7465	0.004	2	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7160	0.052	2	110.7160	0.003	2	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5830	0.166	24	110.6309	0.045	28	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9180	0.250	4	110.6309	0.045	28	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7370	0.120	3	110.7370	0.015	3	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8517	0.116	4	110.8517	0.013	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9753	0.123	3	110.8436	0.084	10	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7871	0.329	7	110.8436	0.084	10	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.3862	0.140	10	110.3862	0.020	10	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7717	0.021	4	110.8204	2.189	36	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5878	1.479	15	110.8204	2.189	36	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6380	0.042	2	110.8204	2.189	36	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]N[5]H)	111.0904	1.773	15	110.8204	2.189	36	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9007	0.101	3	110.6706	0.080	11	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5844	0.283	8	110.6706	0.080	11	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	115.5695	13.195	4	113.7040	112.823	6	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9730	0.016	2	113.7040	112.823	6	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]DyC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]DyC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Dy<17>,1|C<5>,2|H<1>}	H(C[5]C[5]N[5]H)	110.3115	0.039	4	110.3115	0.002	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8417	0.248	6	110.6254	0.128	71	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7420	0.077	4	110.6254	0.128	71	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6056	0.303	7	110.6254	0.128	71	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6146	0.661	17	110.6254	0.128	71	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5839	0.149	29	110.6254	0.128	71	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6212	0.122	6	110.6254	0.128	71	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5185	0.030	2	110.6254	0.128	71	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	112.8090	4.800	2	112.8090	23.038	2	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8350	0.060	4	110.7030	0.058	11	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,3|H<1>}	H(C[5]C[5]N[5]H)	110.6276	0.276	7	110.7030	0.058	11	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Li<4>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7143	0.112	11	110.7143	0.013	11	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]LuSi)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]LuSi)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Lu<13>,1|Si<5>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6460	0.117	4	110.6460	0.014	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgB)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgB)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|B<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5880	0.243	4	110.5880	0.059	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<5>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.4993	0.093	12	110.6128	0.059	19	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8076	0.299	7	110.6128	0.059	19	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mn<6>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.5874	0.150	20	110.5874	0.022	20	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.6786	0.093	7	110.8673	0.044	14	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0560	0.054	7	110.8673	0.044	14	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0055	0.178	4	111.0055	0.032	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7510	0.000	1	110.9926	0.142	82	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.0093	0.384	69	110.9926	0.142	82	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	111.2405	0.103	4	110.9926	0.142	82	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0242	0.162	4	110.9926	0.142	82	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.4860	0.027	4	110.9926	0.142	82	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7216	0.249	8	110.7216	0.062	8	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7420	0.151	3	110.7420	0.023	3	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.9610	0.089	3	110.7117	0.069	29	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6105	0.273	12	110.7117	0.069	29	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7600	0.260	12	110.7117	0.069	29	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.6555	0.011	2	110.7117	0.069	29	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.3150	0.054	2	111.3150	0.003	2	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7140	0.024	2	110.7140	0.001	2	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.6970	0.049	2	110.7170	0.036	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<7>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7370	0.322	2	110.7170	0.036	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9360	0.024	2	110.8632	0.004	6	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8268	0.043	4	110.8632	0.004	6	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.7690	0.063	5	110.6572	0.021	9	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5175	0.051	4	110.6572	0.021	9	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.7350	0.014	2	110.5060	3.364	18	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.9922	4.119	4	110.5060	3.364	18	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0225	1.125	4	110.5060	3.364	18	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,3|H<1>}	H(C[5]C[5]N[5]H)	110.3600	0.182	4	110.5060	3.364	18	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,3|H<1>}	H(C[5]C[5]N[5]H)	110.5348	0.150	4	110.5060	3.364	18	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]SbC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SbC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sb<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8847	0.288	8	110.8847	0.083	8	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|B<4>,2|H<1>}	H(C[5]C[5]N[5]H)	112.5807	3.086	4	112.5807	9.525	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]SiY)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SiY)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|Y<13>,2|H<1>}	H(C[5]C[5]N[5]H)	110.5213	0.037	3	110.5213	0.001	3	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]SnC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SnC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0455	0.204	8	111.0455	0.041	8	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.5820	0.051	3	110.8737	0.303	23	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	110.3540	0.354	8	110.8737	0.303	23	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.0058	0.177	4	110.8737	0.303	23	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.4366	0.309	8	110.8737	0.303	23	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9190	0.011	2	110.7678	0.047	13	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8647	0.090	7	110.7678	0.047	13	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,3|H<1>}	H(C[5]C[5]N[5]H)	110.5228	0.230	4	110.7678	0.047	13	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZrC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZrC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|H<1>}	H(C[5]C[5]N[5]H)	110.5867	0.127	4	110.5867	0.016	4	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.2790	0.014	2	111.2790	0.000	2	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	110.3650	0.000	1	110.3650	0.000	1	110.8187	1.764	507	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2{1|N<4>,2|C<4>,2|O<2>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	109.6257	0.316	4	109.6257	0.100	4	109.7086	0.109	5	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2{2|Te<2>,1|C<4>,1|H<1>,2|N<4>}	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2{2|Te<2>,1|C<4>,2|N<4>,4|H<1>}	H(C[5]C[5]N[5]H)	110.0400	0.000	1	110.0400	0.000	1	109.7086	0.109	5	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,2|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	109.2285	0.073	6	109.2285	0.005	6	109.2285	0.005	6	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>}	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	109.4885	0.036	2	109.4885	0.001	2	109.2450	0.080	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	109.0015	0.012	2	109.0015	0.000	2	109.2450	0.080	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7129	0.128	16	110.7129	0.016	16	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2{1|Mg<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8140	0.017	2	110.8535	0.002	4	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2{1|Mg<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8930	0.004	2	110.8535	0.002	4	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7040	0.071	22	110.7040	0.005	22	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7046	0.156	37	110.7046	0.024	37	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8564	0.075	7	110.8479	0.004	10	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8340	0.000	1	110.8479	0.004	10	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	110.8250	0.013	2	110.8479	0.004	10	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2{4|C<4>}	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2{4|C<4>}	H(C[5]C[5]N[5]H)	109.6642	0.034	4	109.6642	0.001	4	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,4|O<2>}	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,4|O<2>}	H(C[5]C[5]N[5]H)	110.3470	0.024	2	110.3470	0.001	2	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	H(C[5]C[5]N[5]H)	109.1537	0.193	3	109.1537	0.037	3	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Nb<7>,3|Cl<2>,2|C<4>}	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Nb<7>,3|Cl<2>,2|C<4>}	H(C[5]C[5]N[5]H)	109.0624	0.055	7	109.0624	0.003	7	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	H(C[5]C[5]N[5]H)	109.8667	0.283	4	109.8667	0.080	4	110.5007	0.286	109	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|Li<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.4970	0.053	4	110.5277	0.013	12	110.6142	0.062	23	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6000	0.000	1	110.5277	0.013	12	110.6142	0.062	23	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.5349	0.146	7	110.5277	0.013	12	110.6142	0.062	23	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<5>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6344	0.055	5	110.7086	0.102	11	110.6142	0.062	23	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<6>,2|H<1>}	H(C[5]C[5]O[5]H)	111.0005	0.062	2	110.7086	0.102	11	110.6142	0.062	23	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<7>,2|H<1>}	H(C[5]C[5]O[5]H)	110.6555	0.515	4	110.7086	0.102	11	110.6142	0.062	23	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5,6]-4:C[5]-4:H-1:H-1:	B[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5,6]B[5,6]C[5,6]C[6a])(C[5]B[5,6]HH)(H)2	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2	H(C[5]P[5,6]C[5]H)	C[5](P[5,6]B[5,6]C[5,6]C[6a])(C[5]B[5,6]HH)(H)2{1|H<1>,1|P<4>,3|C<4>,4|C<3>}	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2{1|B<4>,1|H<1>,3|C<4>,4|C<3>}	H(C[5]P[5,6]C[5]H)	110.2185	0.135	4	110.2185	0.018	4	110.2185	0.018	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5,6]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5,6]C[5,6]C[6a]C[6])(C[5]B[5]HH)(H)2	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2	H(C[5]P[5,6]C[5]H)	C[5](P[5,6]C[5,6]C[6a]C[6])(C[5]B[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]P[5,6]C[5]H)	110.6155	0.019	2	110.6155	0.000	2	110.6155	0.000	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2	H(C[5]P[5,6]C[5]H)	C[5](P[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2{1|H<1>,1|S<1>,2|C<4>}	H(C[5]P[5,6]C[5]H)	113.5143	2.568	4	113.5143	6.595	4	113.5143	6.595	4	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|H<1>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|H<1>,6|C<3>}	H(C[5]C[5]P[5]H)	111.5130	0.013	2	111.0088	0.623	6	110.7099	0.374	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|N<2>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|N<2>,6|C<3>}	H(C[5]C[5]P[5]H)	109.9900	0.020	2	111.0088	0.623	6	110.7099	0.374	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|O<2>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|O<2>,6|C<3>}	H(C[5]C[5]P[5]H)	111.5235	0.018	2	111.0088	0.623	6	110.7099	0.374	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]B[5]HH)(H)2	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]B)(C[5]B[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,3|C<3>}	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]P[5]H)	110.1315	0.021	2	110.1315	0.000	2	110.7099	0.374	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]C)(C[5]B[5]HH)(H)2	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]C)(C[5]B[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]P[5]H)	110.2355	0.057	2	110.2355	0.003	2	110.7099	0.374	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]H)(C[5]B[5]HH)(H)2	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]H)(C[5]B[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]P[5]H)	110.7880	0.151	4	110.7880	0.023	4	110.7099	0.374	14	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5]P[5]H)	110.3590	0.051	2	110.3590	0.003	2	110.3590	0.003	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]AuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]AuC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Au<3>,1|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	110.6855	0.206	8	110.6855	0.042	8	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	110.7725	0.222	22	110.7725	0.049	22	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]H)	110.3875	0.135	11	110.9311	1.818	32	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	111.2158	1.600	21	110.9311	1.818	32	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]H)	110.1755	0.094	4	110.1755	0.009	4	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]P[5]H)	111.1635	0.035	2	111.1635	0.001	2	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]H)	110.6527	0.021	4	110.3967	0.042	12	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]H)	110.2686	0.096	8	110.3967	0.042	12	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	110.9495	0.029	2	110.9495	0.001	2	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	111.5385	0.005	2	111.5385	0.000	2	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]P[5]H)	110.5405	0.019	2	110.5405	0.000	2	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|Pd<4>,2|H<1>,3|C<3>}	H(C[5]C[5]P[5]H)	110.3580	0.042	2	110.3580	0.002	2	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[5]C[5]P[5]H)	110.6445	0.058	4	110.6445	0.003	4	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<3>,2|H<1>}	H(C[5]C[5]P[5]H)	110.5117	0.244	3	110.5117	0.060	3	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]P[5]H)	112.1975	10.429	4	112.1975	108.763	4	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2{1|P<4>,2|C<3>}	H(C[5]C[5]P[5]H)	111.5015	0.158	2	111.5015	0.025	2	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]P[5]W)(C[5]C[5]HH)(H)2	C[5](C[5]P[5]HH)2(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5]W)(C[5]C[5]HH)(H)2{1|W<6>,2|H<1>,3|C<3>}	C[5](C[5]P[5]HH)2(H)2{2|C<3>,2|W<6>}	H(C[5]C[5]P[5]H)	109.0657	0.023	3	109.0657	0.001	3	110.7686	3.969	104	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]As[5]C[6a]2)(C[5]P[5]HH)(H)2	C[5](P[5]As[5]C[6a]2)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]As[5]C[6a]2)(C[5]P[5]HH)(H)2{6|C<3>}	C[5](P[5]As[5]C[6a]2)(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	110.1572	0.244	6	110.1572	0.059	6	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2{1|Br<1>,3|H<1>,6|C<4>}	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2{1|Br<1>,3|H<1>,6|C<4>}	H(C[5]C[5]P[5]H)	109.4905	0.101	8	109.5393	0.149	12	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2{4|H<1>,6|C<4>}	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2{4|H<1>,6|C<4>}	H(C[5]C[5]P[5]H)	109.6370	0.711	4	109.5393	0.149	12	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2Ge[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(C[5]P[5]HH)(H)2{4|F<1>,6|C<3>}	C[5](P[5]C[6a]2Ge[5])(C[5]P[5]HH)(H)2{4|F<1>,6|C<3>}	H(C[5]C[5]P[5]H)	109.1252	0.078	4	109.1252	0.006	4	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	110.5950	0.000	1	110.5950	0.000	1	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2{1|C<4>,6|C<3>}	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2{1|C<4>,6|C<3>}	H(C[5]C[5]P[5]H)	109.4940	0.439	8	109.8408	0.257	35	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2{6|C<3>}	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	109.9436	0.486	27	109.8408	0.257	35	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2Se[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]2Se[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2Se[5])(C[5]P[5]HH)(H)2{6|C<3>}	C[5](P[5]C[6a]2Se[5])(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	109.8140	0.099	2	109.8140	0.010	2	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]Ge[5]CC)(C[5]P[5]HH)(H)2	C[5](P[5]Ge[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]Ge[5]CC)(C[5]P[5]HH)(H)2{2|C<4>}	C[5](P[5]Ge[5]CC)(C[5]P[5]HH)(H)2{2|C<4>}	H(C[5]C[5]P[5]H)	109.6978	0.057	6	109.6978	0.003	6	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2{4|Br<1>,2|C<4>,2|P<4>}	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2{4|Br<1>,2|C<4>,2|P<4>}	H(C[5]C[5]P[5]H)	109.8744	0.095	8	109.8456	0.009	12	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2{4|Cl<1>,2|C<4>,2|P<4>}	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2{4|Cl<1>,2|C<4>,2|P<4>}	H(C[5]C[5]P[5]H)	109.7880	0.069	4	109.8456	0.009	12	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]Nb[5]CC)(C[5]P[5]HH)(H)2	C[5](P[5]Nb[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]Nb[5]CC)(C[5]P[5]HH)(H)2{3|Cl<1>,1|O<1>,1|P<4>,2|C<4>}	C[5](P[5]Nb[5]CC)(C[5]P[5]HH)(H)2{3|Cl<1>,1|O<1>,1|P<4>,2|C<4>}	H(C[5]C[5]P[5]H)	110.0045	0.131	8	110.0045	0.017	8	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2{4|Br<1>,2|C<4>}	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2{4|Br<1>,2|C<4>}	H(C[5]C[5]P[5]H)	109.4412	0.038	4	109.4996	0.028	10	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2{4|Cl<1>,2|C<4>}	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2{4|Cl<1>,2|C<4>}	H(C[5]C[5]P[5]H)	109.5385	0.212	6	109.4996	0.028	10	109.7701	0.174	96	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5,5,6]OO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,5,6]OO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2{2|C<4>,2|O<1>}	H(C[5]C[5]S[5]H)	110.5810	0.004	2	110.5810	0.000	2	110.6858	0.094	43	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5]FeO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]FeO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Fe<6>,1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	110.7385	0.516	4	110.7385	0.267	4	110.6858	0.094	43	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5]Pt2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]Pt2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,1|Pt<5>,2|H<1>}	H(C[5]C[5]S[5]H)	110.7115	0.094	4	110.7115	0.009	4	110.6858	0.094	43	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5]Ru2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]Ru2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|Ru<6>,2|H<1>}	H(C[5]C[5]S[5]H)	110.7048	0.026	4	110.7048	0.001	4	110.6858	0.094	43	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](S[5]C[5]RuO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]RuO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,1|O<1>,2|H<1>}	H(C[5]C[5]S[5]H)	110.6796	0.332	29	110.6796	0.110	29	110.6858	0.094	43	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	Si[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]Si[5,5]C[5]H)	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]Si[5,5]C[5]H)	110.9835	0.060	2	110.9835	0.004	2	110.9835	0.004	2	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|Cl<1>,2|H<1>}	H(C[5]Si[5]C[5]H)	111.3297	0.015	3	111.3297	0.000	3	110.9384	0.160	13	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]Si[5]C[5]H)	110.6158	0.363	6	110.6158	0.132	6	110.9384	0.160	13	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	111.1287	0.092	4	111.1287	0.008	4	110.9384	0.160	13	110.7853	1.050	42785	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|C<4>}	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]H)	111.1583	0.060	4	111.1583	0.004	4	111.1583	0.004	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[3,5]C[5]H)	110.5235	0.016	2	110.5235	0.000	2	110.6153	0.012	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.7070	0.042	2	110.7070	0.002	2	110.6153	0.012	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H)	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H)	H(C[5]C[4,5]C[5]Br)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H){1|C<4>,5|H<1>}	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]Br)	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H){1|S<4>,3|C<4>}	H(C[5]C[4,5]C[5]H)	110.2410	0.181	2	110.2410	0.033	2	110.5272	0.145	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2{1|Br<1>,1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.3365	0.033	2	110.3365	0.001	2	110.5272	0.145	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,2|C<3>}	H(C[5]C[4,5]C[5]H)	111.0040	0.025	2	111.0040	0.001	2	110.5272	0.145	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H){1|S<2>,2|C<3>}	H(C[5]C[5,3x6]C[5]H)	111.0540	0.016	2	111.0540	0.000	2	111.0540	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2{1|O<2>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.3893	0.066	3	110.3893	0.004	3	110.3893	0.004	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.0100	0.007	2	111.0100	0.000	2	111.0100	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|Si<4>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.5825	2.585	8	111.5825	6.683	8	111.5825	6.683	8	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.7705	0.040	4	110.8136	0.007	22	110.8300	0.009	29	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Cl<1>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8232	0.086	18	110.8136	0.007	22	110.8300	0.009	29	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)2(OC)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)2(OC)(H){4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8275	0.105	4	110.8816	0.016	7	110.8300	0.009	29	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5,6]HH)2(OC)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{4|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)2(OC)(H){4|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9537	0.135	3	110.8816	0.016	7	110.8300	0.009	29	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.4651	0.078	7	110.4651	0.006	7	110.4651	0.006	7	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.3431	0.091	7	110.3431	0.008	7	110.3431	0.008	7	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.2993	0.058	3	111.2993	0.003	3	111.1827	0.057	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2{2|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.8330	0.000	1	110.8330	0.000	1	111.1827	0.057	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.8543	0.059	3	110.8543	0.003	3	110.8543	0.003	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H){1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9405	0.006	2	110.9405	0.000	2	110.9405	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)2(OSi)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)2(OSi)(H){1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.2780	0.038	4	110.2780	0.001	4	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	112.0830	3.107	2	112.0830	9.654	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3585	1.531	2	111.3585	2.344	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.8295	0.046	2	110.8295	0.002	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)2(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)2(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3305	0.045	2	110.7442	0.229	4	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)2(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)2(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1580	0.023	2	110.7442	0.229	4	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)2(OSi)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(OSi)(H){1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6395	0.028	4	110.6395	0.001	4	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,4|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4630	0.014	2	110.4630	0.000	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8290	0.013	2	110.8290	0.000	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	111.0600	0.024	2	111.0600	0.001	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.6770	0.008	2	110.6770	0.000	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]H)	107.9745	4.362	2	107.9745	19.028	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9515	0.050	2	110.9515	0.003	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.1455	0.009	2	111.1455	0.000	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.2205	0.016	2	111.2205	0.000	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	111.3690	0.366	3	110.9175	0.187	11	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7705	0.063	2	110.9175	0.187	11	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.7407	0.388	6	110.9175	0.187	11	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){3|C<3>}	H(C[5]C[5,5]C[5]H)	110.7305	0.013	2	110.7305	0.000	2	110.7529	1.212	47	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|H<1>,3|O<2>,6|C<4>}	H(C[5]C[5,5]C[5]H)	111.3665	0.016	2	111.3665	0.000	2	111.3665	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.0150	0.007	2	111.0150	0.000	2	111.0150	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	111.2710	0.011	2	111.0615	0.053	6	111.0615	0.053	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	110.9567	0.212	4	111.0615	0.053	6	111.0615	0.053	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	110.2870	0.835	4	110.2870	0.697	4	110.2870	0.697	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6360	0.007	2	110.6360	0.000	2	110.6360	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2{3|H<1>,5|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.8452	0.141	4	110.8452	0.020	4	110.8452	0.020	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.4250	0.010	2	110.4250	0.000	2	110.4250	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4500	0.033	2	110.4488	0.001	4	110.4488	0.001	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4475	0.046	2	110.4488	0.001	4	110.4488	0.001	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.4280	0.047	2	111.4280	0.002	2	111.2670	0.016	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.1945	0.013	2	111.1945	0.000	2	111.2670	0.016	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.1785	0.013	2	111.1785	0.000	2	111.2670	0.016	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.9685	0.011	2	110.9685	0.000	2	110.9685	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7206	0.117	9	110.7206	0.014	9	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.4524	0.159	8	110.4524	0.025	8	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.7765	1.019	2	111.3502	0.412	5	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0090	0.000	1	111.3502	0.412	5	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0945	0.006	2	111.3502	0.412	5	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.7122	0.111	4	110.6173	0.029	6	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.4275	0.029	2	110.6173	0.029	6	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.6760	0.000	1	110.6760	0.000	1	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7080	0.030	2	110.7080	0.001	2	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|S<2>,3|C<3>}	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0275	0.325	4	111.0275	0.106	4	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8285	0.021	2	110.8293	0.008	8	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8907	0.062	4	110.8293	0.008	8	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7070	0.007	2	110.8293	0.008	8	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5420	0.027	2	110.4605	0.009	6	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4197	0.086	4	110.4605	0.009	6	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.2393	0.108	6	111.2393	0.012	6	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2{1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2795	0.134	2	111.2795	0.018	2	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.6030	0.000	1	110.6030	0.000	1	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8528	0.094	4	110.8528	0.009	4	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2{3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6250	0.024	2	110.6250	0.001	2	110.8034	0.127	64	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H){1|C<4>,1|O<2>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.1085	0.016	2	111.1085	0.000	2	111.1085	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]H)	110.4990	0.030	2	110.4990	0.001	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1870	0.098	4	111.1870	0.010	4	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8230	0.000	1	110.8230	0.000	1	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)2(OC[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.5755	0.045	2	111.5755	0.002	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9295	0.029	2	110.9295	0.001	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	H(C[5]C[5,6]C[5]H)	110.8695	0.057	4	110.7681	0.016	9	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.5830	0.096	2	110.7681	0.016	9	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7563	0.024	3	110.7681	0.016	9	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7090	0.048	2	110.6037	0.049	10	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6490	0.066	2	110.6037	0.049	10	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.2990	0.027	2	110.6037	0.049	10	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6808	0.255	4	110.6037	0.049	10	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	110.5410	0.049	2	110.5410	0.002	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	111.5453	0.081	3	111.1256	0.103	9	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9157	0.063	6	111.1256	0.103	9	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7595	0.045	2	110.8872	0.030	6	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9510	0.181	4	110.8872	0.030	6	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.3337	4.425	4	110.3337	19.577	4	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8115	0.012	2	110.8115	0.000	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)2(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.2175	1.722	2	109.2175	2.965	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.6715	0.005	2	110.6715	0.000	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.7005	0.033	2	110.7005	0.001	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4787	0.466	3	110.4787	0.217	3	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7400	0.068	2	110.7400	0.005	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0785	0.050	2	111.0785	0.003	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4300	0.013	2	110.4300	0.000	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5885	0.015	2	110.5423	0.007	3	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4500	0.000	1	110.5423	0.007	3	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)2(OC[6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8030	0.023	2	110.8030	0.001	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)2(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4995	0.005	2	109.4502	2.519	5	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)2(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	108.7507	1.790	3	109.4502	2.519	5	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7542	0.036	4	110.7542	0.001	4	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	H(C[5]C[5,6]C[5]H)	110.5850	0.187	2	110.5850	0.035	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H){2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1395	0.056	2	111.1395	0.003	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	111.3245	0.043	2	111.3245	0.002	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.9475	0.026	2	110.9475	0.001	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.7280	0.023	2	110.7280	0.001	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9910	0.008	2	110.9910	0.000	2	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.1191	0.129	8	111.1191	0.017	8	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.3860	0.000	1	111.3860	0.000	1	110.7418	0.934	103	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0260	0.048	2	111.0260	0.002	2	111.0260	0.002	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	111.4725	0.008	2	111.4725	0.000	2	111.4725	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2Br)	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2Br)	108.2360	0.000	1	108.2360	0.000	1	109.4470	2.053	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2Br)	111.0290	0.000	1	111.0290	0.000	1	109.4470	2.053	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2Br)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2Br)	109.0760	0.000	1	109.0760	0.000	1	109.4470	2.053	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H){2|H<1>,2|O<1>}	H(C[5]C[5]2Cl)	110.0590	0.000	2	110.0590	0.000	2	110.0590	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2F)	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2F)	112.0983	0.404	3	111.4360	1.863	4	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2F)	109.4490	0.000	1	111.4360	1.863	4	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2F)	112.0027	0.594	6	112.0027	0.353	6	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	108.8440	0.000	1	110.4772	3.061	5	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	110.8855	1.723	4	110.4772	3.061	5	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	111.4250	0.000	1	111.4250	0.000	1	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	109.0110	0.000	1	111.5794	2.095	5	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	112.2215	0.212	4	111.5794	2.095	5	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	111.0070	0.000	1	111.0070	0.000	1	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2F)	111.5750	0.461	2	111.5750	0.213	2	111.4010	1.522	24	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|O<2>}	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]2H)	111.4554	0.115	5	111.4554	0.013	5	111.4554	0.013	5	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3940	0.013	2	111.3940	0.000	2	111.3940	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2{3|C<4>}	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.7310	0.017	2	110.7310	0.000	2	110.8430	0.061	8	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5270	0.021	2	110.5270	0.000	2	110.8430	0.061	8	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.0570	0.082	4	111.0570	0.007	4	110.8430	0.061	8	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8425	0.011	2	110.8425	0.000	2	110.5276	0.209	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4772	0.048	4	110.4772	0.002	4	110.5276	0.209	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2{1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H){1|N<3>,2|H<1>}	H(C[5]C[5]2H)	109.7615	1.039	2	109.7615	1.079	2	110.5276	0.209	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H){1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.5940	0.010	2	110.5940	0.000	2	110.5276	0.209	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	H(C[5]C[5]2H)	110.7703	0.030	4	110.7703	0.001	4	110.5276	0.209	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.1400	0.008	2	111.1400	0.000	2	111.1390	0.001	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.1380	0.040	2	111.1380	0.002	2	111.1390	0.001	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9170	0.007	2	110.9170	0.000	2	110.9170	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9340	0.065	2	110.9340	0.004	2	110.9340	0.004	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2785	0.090	2	111.2772	0.004	4	111.2772	0.004	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2760	0.058	2	111.2772	0.004	4	111.2772	0.004	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2330	0.024	2	111.2330	0.001	2	111.0042	0.172	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2{1|Si<4>,1|C<3>,2|C<4>}	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3075	0.022	2	111.3075	0.000	2	111.0042	0.172	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4720	0.045	2	110.4720	0.002	2	111.0042	0.172	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.8760	0.020	2	110.8760	0.000	2	111.0034	0.553	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){4|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5787	0.040	3	110.5787	0.002	3	111.0034	0.553	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	111.1430	0.000	1	111.1430	0.000	1	111.0034	0.553	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9705	0.011	2	110.9705	0.000	2	111.0034	0.553	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.9555	0.014	4	110.9555	0.000	4	111.0034	0.553	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.8265	2.286	2	111.8265	5.226	2	111.0034	0.553	14	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.4885	3.754	2	109.4885	14.093	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	111.0570	0.000	1	111.0570	0.000	1	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	H(C[5]C[5]2H)	111.0770	0.693	2	111.0770	0.480	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8885	0.021	2	111.1305	0.078	4	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.3725	0.021	2	111.1305	0.078	4	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4040	0.028	4	110.4467	0.005	6	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5320	0.038	2	110.4467	0.005	6	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3670	0.072	2	110.8594	0.256	5	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.1877	0.324	3	110.8594	0.256	5	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	110.7825	0.028	2	110.7825	0.001	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.5310	0.033	2	110.5310	0.001	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9947	0.121	4	110.9947	0.015	4	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.3585	0.016	2	110.3585	0.000	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6450	0.031	2	110.6450	0.001	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.6147	0.097	10	110.6147	0.009	10	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.3310	0.000	1	111.3761	0.226	7	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2903	0.645	4	111.3761	0.226	7	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.5705	0.046	2	111.3761	0.226	7	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.7079	1.162	8	111.7079	1.350	8	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H){1|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.3650	0.069	2	111.3650	0.005	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1360	0.000	1	111.1360	0.000	1	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)2(H)2	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)2(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	111.7170	0.081	2	111.7170	0.006	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)2(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)2(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	111.6890	0.033	2	111.6890	0.001	2	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7440	0.011	3	110.7440	0.000	3	110.9650	0.665	67	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	109.9355	2.235	2	109.9355	4.996	2	110.0949	2.698	10	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.4585	0.032	2	110.4585	0.001	2	110.0949	2.698	10	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.2125	4.109	2	109.2125	16.884	2	110.0949	2.698	10	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5615	0.008	2	110.5615	0.000	2	110.0949	2.698	10	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3065	0.025	2	110.3065	0.001	2	110.0949	2.698	10	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H){1|Fe<10>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.2860	0.086	2	111.2860	0.007	2	111.3443	0.007	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,4|H<1>,6|C<4>}	H(C[5]C[5]2H)	111.4025	0.026	2	111.4025	0.001	2	111.3443	0.007	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.5830	0.016	2	110.5830	0.000	2	111.1199	0.701	11	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.5612	0.942	6	111.2392	0.788	9	111.1199	0.701	11	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5953	0.030	3	111.2392	0.788	9	111.1199	0.701	11	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3430	0.034	2	110.3430	0.001	2	110.3430	0.001	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.1415	0.030	2	111.1415	0.001	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.3790	0.013	2	110.3790	0.000	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	111.2265	0.033	2	111.2265	0.001	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	111.2210	0.035	2	111.2210	0.001	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.1180	0.044	2	110.1180	0.002	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9575	0.793	2	110.9575	0.628	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	H(C[5]C[5]2H)	109.9793	0.013	4	109.9793	0.000	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0025	0.013	2	111.0530	0.003	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1035	0.005	2	111.0530	0.003	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5823	0.054	4	110.6584	0.654	79	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5020	0.266	4	110.6584	0.654	79	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5989	0.722	69	110.6584	0.654	79	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	113.1750	1.515	2	110.6584	0.654	79	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2240	0.026	3	110.5890	2.430	96	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6360	0.055	2	110.5890	2.430	96	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5935	1.655	85	110.5890	2.430	96	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5487	0.115	4	110.5890	2.430	96	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9790	0.025	2	110.5890	2.430	96	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6720	0.041	2	110.5927	0.009	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5135	0.012	2	110.5927	0.009	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6635	0.063	2	110.6635	0.004	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3072	0.493	10	110.3072	0.243	10	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3505	0.012	2	110.3505	0.000	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3280	0.000	1	110.2120	0.009	5	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1830	0.081	4	110.2120	0.009	5	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8622	0.088	4	110.8622	0.008	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6005	0.019	2	110.6005	0.000	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.4030	0.038	2	110.4030	0.001	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6470	0.232	6	110.6470	0.054	6	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.0920	0.017	2	110.0920	0.000	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4985	0.028	2	110.4985	0.001	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5285	0.030	2	110.5285	0.001	2	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0330	0.006	2	110.8077	0.068	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5825	0.011	2	110.8077	0.068	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[5]C[5]2H)	110.9463	0.019	3	110.8157	0.748	7	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8665	0.005	2	110.8157	0.748	7	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5690	2.076	2	110.8157	0.748	7	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2065	0.100	2	110.6566	0.263	5	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2900	0.129	3	110.6566	0.263	5	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8775	0.087	4	110.8775	0.008	4	110.6148	1.167	258	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.1460	0.000	1	111.1460	0.000	1	111.1460	0.000	1	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.8115	0.006	2	110.8115	0.000	2	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1034	0.067	17	111.1034	0.004	17	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0057	0.068	3	111.0057	0.005	3	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9990	1.584	2	110.9990	2.509	2	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1668	0.055	4	111.1668	0.003	4	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	H(C[5]C[5]2H)	110.9195	0.092	4	110.9195	0.008	4	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	111.4490	0.028	2	111.4490	0.001	2	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0520	0.214	4	111.0520	0.046	4	111.0749	0.091	38	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H){4|H<1>}	H(C[5]C[5]2H)	110.1380	0.014	2	110.1380	0.000	2	110.1655	0.001	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H){4|H<1>}	H(C[5]C[5]2H)	110.1930	0.018	2	110.1930	0.000	2	110.1655	0.001	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8600	0.033	2	110.8600	0.001	2	110.8600	0.001	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	110.9385	0.019	2	110.8705	0.006	4	110.8422	0.006	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.8025	0.009	2	110.8705	0.006	4	110.8422	0.006	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7855	0.013	2	110.7855	0.000	2	110.8422	0.006	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Ge-2:H-1:	C[5]-4:	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(GeN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(GeN)(H){4|H<1>}	H(C[5]C[5]2H)	110.6515	0.167	4	110.6515	0.028	4	110.6515	0.028	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4565	0.026	2	110.4565	0.001	2	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.1730	0.006	2	111.1730	0.000	2	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6196	0.402	21	110.6196	0.162	21	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	H(C[5]C[5]2H)	110.5260	0.000	1	110.5260	0.000	1	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	H(C[5]C[5]2H)	110.8928	0.345	10	110.8928	0.119	10	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NC)(H){4|H<1>}	H(C[5]C[5]2H)	110.7395	0.046	2	110.7395	0.002	2	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.6360	0.024	2	110.6360	0.001	2	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	112.2933	2.428	4	112.2933	5.893	4	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.1135	0.354	2	110.1135	0.126	2	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	107.0670	7.490	2	107.0670	56.095	2	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2245	0.062	2	111.2245	0.004	2	110.6892	2.390	50	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1930	0.034	2	111.1930	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6630	0.011	2	110.6630	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.0760	0.020	2	110.0760	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){1|O<2>,3|C<3>}	H(C[5]C[5]2H)	111.5310	1.573	2	111.5310	2.473	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4745	0.029	2	110.4745	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.5558	0.036	4	110.5558	0.001	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.3267	0.558	9	110.5281	0.258	17	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6411	0.150	7	110.5281	0.258	17	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.5500	0.000	1	110.5281	0.258	17	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2082	0.140	4	111.2082	0.020	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4885	0.194	8	110.6729	0.180	10	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.4105	0.018	2	110.6729	0.180	10	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.3670	0.010	2	111.3670	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1515	2.879	2	110.1515	8.287	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5363	0.188	3	110.5363	0.035	3	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.3520	0.018	2	110.3520	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2318	1.301	4	111.2318	1.692	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8499	0.382	31	110.8499	0.146	31	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5635	0.221	19	110.5635	0.049	19	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.3485	0.006	2	110.3485	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){1|O<2>,3|C<3>}	H(C[5]C[5]2H)	111.0660	2.076	2	111.0660	4.310	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5075	0.030	2	110.5075	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2075	0.042	2	110.2075	0.002	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5280	0.014	4	110.5950	0.023	5	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){4|H<1>}	H(C[5]C[5]2H)	110.8630	0.000	1	110.5950	0.023	5	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8233	0.096	6	110.8726	0.034	12	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6260	0.031	2	110.8726	0.034	12	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0697	0.106	4	110.8726	0.034	12	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7475	0.018	2	110.6755	0.007	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6035	0.022	2	110.6755	0.007	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){4|H<1>}	H(C[5]C[5]2H)	110.3005	0.047	2	110.4192	0.023	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4785	0.153	4	110.4192	0.023	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8700	0.000	1	110.7065	0.021	13	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6666	0.142	10	110.7065	0.021	13	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8245	0.021	2	110.7065	0.021	13	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9255	0.824	2	109.9255	0.679	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.9320	0.000	1	110.9320	0.000	1	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6760	0.000	1	110.4995	1.560	11	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	H(C[5]C[5]2H)	110.4819	1.315	10	110.4995	1.560	11	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.6280	0.079	2	110.6440	2.113	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	H(C[5]C[5]2H)	109.8210	2.792	2	110.6440	2.113	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	H(C[5]C[5]2H)	111.4830	0.023	2	110.6440	2.113	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	H(C[5]C[5]2H)	110.6765	0.025	2	110.6765	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.1260	0.416	2	110.1260	0.173	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.9906	0.450	20	110.8594	0.143	45	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.8865	0.049	2	110.8594	0.143	45	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){4|H<1>}	H(C[5]C[5]2H)	110.7429	0.285	23	110.8594	0.143	45	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	H(C[5]C[5]2H)	110.6840	0.239	30	110.6840	0.057	30	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(OP)(H){4|H<1>}	H(C[5]C[5]2H)	111.0643	0.041	4	111.0643	0.002	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)2(OS)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	111.0122	0.134	4	111.0122	0.018	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.0745	0.131	2	109.0745	0.017	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6137	0.206	4	110.6137	0.042	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3923	0.045	4	110.3923	0.002	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6415	0.113	4	110.6415	0.013	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|N<3>}	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2H)	110.9960	0.011	2	110.9960	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.0570	0.030	2	111.0570	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7145	0.005	2	110.7145	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(OC)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.7000	0.024	2	110.7000	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(OS)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	111.0962	0.062	4	111.0962	0.004	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8500	0.004	2	110.7940	0.010	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8680	0.006	2	110.7940	0.010	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.6640	0.035	2	110.7940	0.010	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8529	0.115	8	110.7773	0.036	10	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.4750	0.024	2	110.7773	0.036	10	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0929	0.251	17	111.0031	0.079	23	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7487	0.197	6	111.0031	0.079	23	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0170	0.027	2	111.0170	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0053	0.078	6	111.0053	0.006	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8110	0.027	2	110.9648	0.849	83	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0162	0.968	70	110.9648	0.849	83	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4048	0.949	4	110.9648	0.849	83	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|Co<6>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7453	0.238	3	110.9648	0.849	83	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.6630	0.054	2	110.9648	0.849	83	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0705	0.583	2	110.9648	0.849	83	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4990	0.000	1	110.4990	0.000	1	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.4680	0.000	1	109.4680	0.000	1	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.3765	0.088	2	110.8952	0.231	5	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4190	0.011	2	110.8952	0.231	5	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8850	0.000	1	110.8952	0.231	5	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1170	0.004	2	111.1170	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.8040	0.017	4	110.8040	0.000	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0555	0.039	2	111.0555	0.002	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2630	0.033	2	111.2630	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.2320	0.006	2	111.2320	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){2|C<4>}	H(C[5]C[5]2H)	110.6755	0.037	2	110.6755	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.5765	0.040	2	110.5765	0.002	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.7235	0.029	2	111.7235	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<2>,1|H<1>}	H(C[5]C[5]2H)	111.3795	0.046	2	110.8306	1.136	16	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7522	1.121	14	110.8306	1.136	16	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5720	0.007	2	111.2284	0.597	25	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.3511	0.910	14	111.2284	0.597	25	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.1834	0.554	9	111.2284	0.597	25	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]2H)	109.1188	3.652	4	109.1188	13.338	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8745	0.023	2	110.8745	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.7260	1.575	2	110.7260	2.482	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.2495	0.045	2	111.2495	0.002	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.3910	0.025	2	111.3910	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H){2|H<1>}	H(C[5]C[5]2H)	111.5290	0.007	2	111.5290	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.3440	0.231	4	111.3440	0.053	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.8180	0.004	2	110.8180	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.1885	0.032	2	111.1885	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.4140	0.296	2	110.4140	0.087	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.6665	0.045	2	110.6665	0.002	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]2H)	110.6912	0.126	4	110.6912	0.016	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.1930	0.020	2	110.1930	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5755	0.011	2	110.5755	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7635	0.019	2	110.7635	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8480	0.011	2	110.8075	0.026	8	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8750	0.045	2	110.8075	0.026	8	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.7535	0.230	4	110.8075	0.026	8	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){1|Br<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.1600	0.035	2	110.1600	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	111.8445	2.362	2	111.8445	5.581	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	108.4145	4.088	2	108.4145	16.710	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.8635	0.768	4	109.8635	0.591	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.2400	0.024	2	110.2400	0.001	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5395	0.127	6	110.5395	0.016	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6895	0.012	2	110.6895	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.0518	0.783	24	111.0518	0.613	24	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.4309	0.527	20	111.4309	0.278	20	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.7660	0.180	4	110.7660	0.032	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.9973	0.461	7	110.9973	0.212	7	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.0827	0.296	29	111.1862	0.311	97	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2304	0.634	68	111.1862	0.311	97	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2682	0.295	10	111.2682	0.087	10	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	109.3230	4.616	2	109.3230	21.307	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	112.5750	3.067	2	110.5648	7.865	12	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.1627	2.737	10	110.5648	7.865	12	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2088	0.093	6	111.2088	0.009	6	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2050	0.336	25	111.2050	0.113	25	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.0668	0.369	6	111.2868	1.860	93	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.3020	1.407	87	111.2868	1.860	93	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.1555	0.019	2	111.1555	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	110.7420	0.011	2	110.5500	7.126	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.3580	4.608	2	110.5500	7.126	4	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.1110	0.006	2	110.1110	0.000	2	110.9244	0.832	857	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0365	0.015	2	111.3330	0.035	8	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.4318	0.050	6	111.3330	0.035	8	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1330	0.059	2	111.1330	0.004	2	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3860	0.065	3	111.3860	0.004	3	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.5065	0.032	2	111.5065	0.001	2	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.1188	0.243	16	111.1188	0.059	16	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8757	0.066	3	111.1743	0.121	18	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2985	0.019	4	111.1743	0.121	18	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2105	0.412	11	111.1743	0.121	18	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3970	0.006	2	111.2412	0.034	4	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0855	0.071	2	111.2412	0.034	4	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	112.8840	1.066	4	112.8840	1.136	4	111.3270	0.316	57	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC)(H){4|H<1>}	H(C[5]C[5]2H)	110.5713	0.333	3	110.5713	0.111	3	110.5713	0.111	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC)(H){4|H<1>}	H(C[5]C[5]2H)	110.6937	0.218	3	110.6937	0.048	3	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)2(SC[6a])(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	111.2255	0.056	2	111.3685	0.022	6	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC[6a])(H){4|H<1>}	H(C[5]C[5]2H)	111.4400	0.120	4	111.3685	0.022	6	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	114.1755	3.863	2	114.1755	14.922	2	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.6050	0.011	2	111.6050	0.000	2	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)2(H)2	C[5](C[5]C[5]HH)2(SC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC[6a])(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.6975	0.023	2	110.6975	0.001	2	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.4895	0.332	2	110.4895	0.110	2	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.7095	0.057	2	110.7095	0.003	2	111.3498	1.988	19	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Se-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7790	3.132	2	110.7790	9.812	2	110.7790	9.812	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.4540	0.204	2	111.4540	0.041	2	111.4490	0.021	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	111.4390	0.000	1	111.4390	0.000	1	111.4490	0.021	3	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2440	0.004	2	111.2440	0.000	2	111.2440	0.000	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.1270	0.036	3	111.1270	0.001	3	111.3258	1.472	11	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1870	0.017	2	111.1870	0.000	2	111.3258	1.472	11	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8650	0.068	4	110.8650	0.005	4	111.3258	1.472	11	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	112.6845	3.163	2	112.6845	10.004	2	111.3258	1.472	11	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2I)	108.3430	0.000	1	108.3430	0.000	1	108.5450	0.082	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2I)	108.7470	0.000	1	108.7470	0.000	1	108.5450	0.082	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.6200	0.000	1	110.6200	0.000	1	110.5062	1.628	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2O)	112.1310	0.000	1	112.1310	0.000	1	110.5062	1.628	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.0370	0.000	1	109.0370	0.000	1	110.5062	1.628	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	H(C[5]C[5]2O)	110.2370	0.000	1	110.2370	0.000	1	110.5062	1.628	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	111.5168	0.952	4	111.5168	0.907	4	111.2301	0.867	15	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.9309	0.184	7	110.9309	0.034	7	111.2301	0.867	15	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	111.8240	2.744	2	111.8240	7.527	2	111.2301	0.867	15	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.1105	0.021	2	111.1105	0.000	2	111.2301	0.867	15	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	111.5540	0.981	2	111.5540	0.963	2	111.5540	0.963	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]S[5]H)	114.3065	3.180	2	114.3065	10.112	2	113.0035	8.975	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]S[5]H)	111.7005	3.166	2	111.7005	10.022	2	113.0035	8.975	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){2|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.7353	0.073	4	110.7353	0.005	4	110.5916	0.026	8	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|Cl<1>,3|H<1>}	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H){2|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.4480	0.005	4	110.4480	0.000	4	110.5916	0.026	8	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	N[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	H(C[5]N[3,5]C[5]H)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]N[3,5]C[5]H)	110.7240	0.038	2	110.7240	0.001	2	110.7240	0.001	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	110.5400	0.025	2	110.5400	0.001	2	110.9263	0.200	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	111.3125	0.047	2	111.3125	0.002	2	110.9263	0.200	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	111.3748	3.857	4	111.3748	14.878	4	111.3748	14.878	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.6215	0.014	4	110.6470	0.002	6	110.6470	0.002	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.6980	0.035	2	110.6470	0.002	6	110.6470	0.002	6	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|Co<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	110.8762	0.438	4	110.8762	0.192	4	110.8762	0.192	4	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]C[5]CH)(H)2{6|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H){6|C<3>}	H(C[5]C[5]P[5]H)	111.6345	0.037	2	111.6345	0.001	2	111.6345	0.001	2	110.8777	0.933	1896	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2{2|H<1>,5|C<4>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.2150	0.065	2	110.2150	0.004	2	110.2150	0.004	2	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CN)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)2(CN)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5170	0.000	1	110.9057	0.113	3	110.9057	0.113	3	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CN)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CN)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1000	0.010	2	110.9057	0.113	3	110.9057	0.113	3	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7195	0.037	2	110.7195	0.001	2	110.7195	0.001	2	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC){3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0170	0.031	2	111.0170	0.001	2	111.0170	0.001	2	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]2H)	111.0400	0.053	8	111.0400	0.003	8	111.0400	0.003	8	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	110.8510	0.023	2	110.8510	0.001	2	110.8510	0.001	2	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5244	0.147	5	110.5244	0.022	5	110.3116	1.662	112	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2430	0.360	4	110.3016	1.737	107	110.3116	1.662	112	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3039	1.342	103	110.3016	1.737	107	110.3116	1.662	112	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7870	0.000	1	110.7870	0.000	1	110.9803	0.028	3	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO){2|C<4>}	H(C[5]C[5]2H)	111.0770	0.011	2	111.0770	0.000	2	110.9803	0.028	3	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(CN)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.8440	0.000	1	110.8440	0.000	1	110.6581	0.031	20	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{1|C<2>,1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	110.2180	0.000	1	110.6011	0.024	15	110.6581	0.031	20	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{1|C<2>,1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4950	0.024	4	110.6011	0.024	15	110.6581	0.031	20	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6818	0.091	10	110.6011	0.024	15	110.6581	0.031	20	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	110.7045	0.012	2	110.7045	0.000	2	110.6581	0.031	20	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CN)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9460	0.010	2	110.9460	0.000	2	110.6581	0.031	20	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC)(OH){4|H<1>}	H(C[5]C[5]2H)	110.7338	0.223	91	110.7338	0.050	91	110.7338	0.050	91	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4710	0.021	2	110.4710	0.000	2	110.4710	0.000	2	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7720	0.025	2	110.7720	0.001	2	110.7720	0.001	2	110.5498	0.820	249	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0415	0.088	6	111.0415	0.008	6	110.9548	0.031	8	110.8693	0.293	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>}	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6945	0.026	2	110.6945	0.001	2	110.9548	0.031	8	110.8693	0.293	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8150	0.004	2	110.8150	0.000	2	110.6983	0.941	4	110.8693	0.293	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5815	1.664	2	110.5815	2.768	2	110.6983	0.941	4	110.8693	0.293	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3){2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.0960	0.010	2	111.0960	0.000	2	111.0960	0.000	2	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[5]C[5]2H)	110.9900	0.000	1	110.9900	0.000	1	110.7481	0.012	9	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7179	0.070	8	110.7179	0.005	8	110.7481	0.012	9	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:C-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.1100	0.010	2	110.1100	0.000	2	110.1100	0.000	2	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.8400	0.029	4	110.8400	0.001	4	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3980	1.635	2	110.3980	2.673	2	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0113	0.029	3	110.8955	0.063	35	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0685	0.037	4	110.8955	0.063	35	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0640	0.021	2	110.8955	0.063	35	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.1655	0.030	2	110.8955	0.063	35	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.8156	0.265	24	110.8955	0.063	35	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9015	0.021	2	110.9015	0.000	2	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1990	0.000	2	110.8901	0.052	18	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0370	0.023	2	110.8901	0.052	18	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8855	0.448	2	110.8901	0.052	18	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7396	0.154	8	110.8901	0.052	18	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9652	0.166	4	110.8901	0.052	18	110.8741	0.103	61	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8615	0.217	4	110.8615	0.047	4	110.9684	0.043	7	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.0280	0.000	1	111.0280	0.000	1	110.9684	0.043	7	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.1525	0.009	2	111.1525	0.000	2	110.9684	0.043	7	110.8549	0.100	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2{6|C<3>}	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H){6|C<3>}	H(C[5]B[5]C[5]H)	110.6230	0.085	2	110.6230	0.007	2	110.6230	0.007	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H){2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[3,5,6]C[5]H)	111.3490	0.028	2	111.3490	0.001	2	111.3490	0.001	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2{3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	111.4020	0.023	2	111.4020	0.001	2	111.4020	0.001	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	111.2237	0.043	3	111.2237	0.002	3	111.2237	0.002	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2{2|C<3>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[3,5]C[5]H)	111.1090	0.037	5	111.1090	0.001	5	111.1090	0.001	5	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)(H)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5,5]C[5]H)	110.5895	0.005	2	110.5895	0.000	2	110.5895	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.5405	0.036	2	110.5405	0.001	2	110.5405	0.001	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[4,5]C[5]H)	110.6820	0.025	2	110.6820	0.001	2	110.5940	4.121	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	110.5060	3.511	2	110.5060	12.331	2	110.5940	4.121	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	108.9862	1.634	4	108.9862	2.669	4	108.9862	2.669	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5,6]HH)2(COO)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)2(COO)(H){2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	111.3509	1.282	8	111.3509	1.643	8	111.3509	1.643	8	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H){1|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.9795	0.009	2	110.9795	0.000	2	110.9795	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2{2|H<1>,3|C<4>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.7575	0.013	2	110.7575	0.000	2	110.7575	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8930	0.079	3	110.8930	0.006	3	110.8860	0.003	5	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8755	0.009	2	110.8755	0.000	2	110.8860	0.003	5	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1865	0.013	2	111.1833	0.001	4	111.1833	0.001	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.1800	0.049	2	111.1833	0.001	4	111.1833	0.001	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	111.1710	0.020	2	111.1710	0.000	2	111.1710	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.7365	0.018	2	110.7365	0.000	2	110.4357	0.042	8	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3355	0.103	6	110.3355	0.011	6	110.4357	0.042	8	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9023	0.180	3	110.9023	0.032	3	110.9023	0.032	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:Cl-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)(CCO)(Cl)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2{1|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)(CCO)(Cl){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.2130	0.007	2	110.2130	0.000	2	110.2130	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H){1|H<1>,2|C<4>,4|O<2>}	H(C[5]C[5,5]C[5]H)	110.2110	0.020	2	110.2110	0.000	2	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)2(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(COO)(H){2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0080	3.761	4	111.0080	14.147	4	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7730	0.031	2	110.7730	0.001	2	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9465	0.042	2	110.9465	0.002	2	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.3680	0.020	2	110.3680	0.000	2	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.2133	0.030	3	110.2133	0.001	3	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6530	0.044	2	110.6530	0.002	2	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.1667	0.037	3	110.1667	0.001	3	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	111.1958	0.126	4	111.1958	0.016	4	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H){1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0155	0.030	2	111.0155	0.001	2	110.6880	1.858	26	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	110.9760	0.021	2	110.9760	0.000	2	110.9582	0.011	8	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2{2|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	111.1080	0.044	2	111.1080	0.002	2	110.9582	0.011	8	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.8600	0.048	2	110.8600	0.002	2	110.9582	0.011	8	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	110.8890	0.024	2	110.8890	0.001	2	110.9582	0.011	8	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5]HH)2(NCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)2(NCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	109.8194	2.822	8	109.8194	7.963	8	109.9771	6.304	10	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6080	0.025	2	110.6080	0.001	2	109.9771	6.304	10	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.3040	0.473	3	111.3040	0.224	3	111.3040	0.224	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,5]NiC)(C[5]C[5,5]HH)(COO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	C[5](N[5]C[5,5]NiC)(C[5]C[5,5]HH)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6343	0.292	4	110.6343	0.086	4	110.6343	0.086	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.3010	0.030	3	110.3010	0.001	3	110.4436	0.039	5	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.6575	0.049	2	110.6575	0.002	2	110.4436	0.039	5	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.2365	0.015	2	109.8598	0.103	6	109.8598	0.103	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	109.8195	0.023	2	109.8598	0.103	6	109.8598	0.103	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	109.5235	0.025	2	109.8598	0.103	6	109.8598	0.103	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H){2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.2600	0.008	2	110.2600	0.000	2	110.5042	0.080	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7485	0.043	2	110.7485	0.002	2	110.5042	0.080	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	108.7485	6.048	2	108.7485	36.577	2	109.7733	5.604	10	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.6630	3.203	2	109.6630	10.260	2	109.7733	5.604	10	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.7500	0.047	2	109.9615	0.060	4	109.7733	5.604	10	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.1730	0.013	2	109.9615	0.060	4	109.7733	5.604	10	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5320	0.004	2	110.5320	0.000	2	109.7733	5.604	10	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.4305	0.039	4	110.4305	0.002	4	110.4305	0.002	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.3075	0.085	4	111.3075	0.007	4	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7428	0.135	4	110.7428	0.018	4	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.2330	0.004	2	111.2330	0.000	2	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5745	0.008	2	110.5745	0.000	2	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7680	0.030	2	110.7680	0.001	2	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0905	0.159	4	111.0905	0.025	4	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(CCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(CCO)(H){1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.6495	0.028	2	110.6495	0.001	2	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1575	0.078	2	111.1575	0.006	2	110.9695	0.080	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2{1|C<2>,1|C<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9040	0.022	3	110.9040	0.000	3	110.9040	0.000	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	110.5647	0.510	3	110.5647	0.261	3	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.4825	0.033	2	110.4825	0.001	2	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.9300	0.061	2	110.9300	0.004	2	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0490	0.000	1	111.0490	0.000	1	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	111.0795	0.013	2	111.0795	0.000	2	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2495	0.022	2	110.2495	0.000	2	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.7553	0.030	4	110.7553	0.001	4	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8100	0.010	2	110.8100	0.000	2	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7930	0.047	3	110.7930	0.002	3	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2{1|C<2>,1|O<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7133	0.180	4	110.7133	0.032	4	110.7240	0.073	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.0450	0.016	2	111.0450	0.000	2	111.0450	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2565	0.067	2	111.2565	0.005	2	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	111.1660	1.787	6	111.1660	3.192	6	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9330	0.000	1	110.8322	0.005	5	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8070	0.054	4	110.8322	0.005	5	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	109.8410	0.089	2	109.8410	0.008	2	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3425	0.042	2	110.3653	0.002	3	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{4|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4110	0.000	1	110.3653	0.002	3	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H){2|C<4>}	H(C[5]C[5,6]C[5]H)	110.6880	0.000	1	110.6880	0.000	1	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H){2|C<3>}	H(C[5]C[5,6]C[5]H)	111.0220	0.018	2	111.0220	0.000	2	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.7048	0.560	4	110.7048	0.313	4	110.8000	0.863	25	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.0285	0.820	2	111.0285	0.672	2	110.8914	0.129	14	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	111.2055	0.140	4	111.2055	0.020	4	110.8914	0.129	14	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4270	0.017	2	110.4270	0.000	2	110.8914	0.129	14	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.8705	0.036	2	110.8705	0.001	2	110.8914	0.129	14	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7512	0.027	4	110.7512	0.001	4	110.8914	0.129	14	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H){2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9925	0.032	2	110.9925	0.001	2	110.6605	0.148	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(NCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2{2|C<2>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(NCH)(H){1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.3285	0.030	2	110.3285	0.001	2	110.6605	0.148	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	109.3905	1.046	2	109.3905	1.094	2	109.3905	1.094	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H){4|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	H(C[5]C[5]2Br)	111.3280	0.000	1	111.3280	0.000	1	109.8015	4.660	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2Br)	108.2750	0.000	1	108.2750	0.000	1	109.8015	4.660	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5]2Cl)	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B-4:C[5]-4:B[5]-3:H-1:	C[5]-4:	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H){4|H<1>}	H(C[5]C[5]2H)	110.0890	0.013	2	110.0890	0.000	2	110.0890	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){4|H<1>}	H(C[5]C[5]2H)	110.7200	0.025	2	110.7200	0.001	2	110.7200	0.001	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	109.7175	4.123	2	109.7175	17.000	2	109.7175	17.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.7570	1.167	2	109.7570	1.361	2	110.4475	0.431	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H){2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1705	0.013	2	110.3683	0.054	4	110.4475	0.431	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H){5|H<1>}	H(C[5]C[5]2H)	110.5660	0.069	2	110.3683	0.054	4	110.4475	0.431	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]HH)(NC[6a]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]HH)(NC[6a]H)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6430	0.000	1	110.6430	0.000	1	110.4475	0.431	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H){3|H<1>}	H(C[5]C[5]2H)	110.3520	0.955	6	110.3520	0.911	6	110.4475	0.431	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NHS)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6156	0.122	7	110.6156	0.015	7	110.4475	0.431	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2{1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H){1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8970	1.103	2	110.8970	1.217	2	110.4475	0.431	22	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.6930	0.021	2	110.7450	0.008	3	110.7450	0.008	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){2|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8490	0.000	1	110.7450	0.008	3	110.7450	0.008	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7998	0.106	6	110.7998	0.011	6	110.7998	0.011	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	110.8400	0.023	2	110.8400	0.001	2	110.8400	0.001	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.7647	0.158	4	110.7647	0.025	4	110.7647	0.025	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.2507	0.129	4	111.2443	0.010	6	110.9377	0.181	12	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2315	0.013	2	111.2443	0.010	6	110.9377	0.181	12	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0310	0.018	2	111.0310	0.000	2	110.9377	0.181	12	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.3665	0.047	2	110.4313	0.110	4	110.9377	0.181	12	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4960	0.557	2	110.4313	0.110	4	110.9377	0.181	12	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	H(C[5]C[5]2H)	111.0577	0.041	7	110.9387	0.031	11	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]2H)	110.7305	0.087	4	110.9387	0.031	11	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.7165	0.026	2	110.7165	0.001	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.9780	0.000	1	110.9780	0.000	1	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.2155	0.042	2	111.2155	0.002	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(C[5]C[5]2H)	110.4981	0.175	8	110.5175	0.026	10	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.5950	0.010	2	110.5175	0.026	10	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.2490	0.000	1	111.2490	0.000	1	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7870	0.024	2	110.7870	0.001	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.1245	0.009	2	111.1245	0.000	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(CNO)(H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8130	2.342	4	110.8130	5.486	4	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.9285	0.019	2	110.9285	0.000	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7245	0.032	2	110.7245	0.001	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8480	0.028	2	110.8480	0.001	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2422	0.018	4	111.2422	0.000	4	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.4995	0.012	2	111.4995	0.000	2	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2{1|S<2>,4|C<3>}	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7159	0.181	8	110.7159	0.033	8	110.8612	0.383	55	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	111.4045	0.005	2	111.4045	0.000	2	111.0612	0.068	17	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2{2|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	110.9795	0.023	2	110.9795	0.001	2	111.0612	0.068	17	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NCH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.9321	0.267	9	110.9321	0.071	9	111.0612	0.068	17	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NNiC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NNiC)(H){1|N<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	111.2210	0.060	4	111.2210	0.004	4	111.0612	0.068	17	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)2(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)2(H)2{4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.6748	0.036	4	111.6748	0.001	4	111.6748	0.001	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2795	0.220	6	110.3506	0.033	23	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3757	0.168	17	110.3506	0.033	23	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5220	0.024	2	110.5220	0.001	2	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4715	0.042	2	110.4690	0.001	8	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4682	0.035	6	110.4690	0.001	8	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3725	0.015	2	110.3725	0.000	2	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4728	0.117	6	110.4551	0.288	48	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4683	0.601	38	110.4551	0.288	48	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3025	0.057	4	110.4551	0.288	48	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4478	0.049	10	110.4478	0.002	10	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3685	0.005	2	110.3685	0.000	2	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	109.9543	0.492	4	109.9543	0.242	4	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3380	0.000	1	110.4286	0.010	5	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4513	0.097	4	110.4286	0.010	5	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.4147	0.096	4	110.2354	0.044	8	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.9800	0.011	2	110.2354	0.044	8	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.1320	0.027	2	110.2354	0.044	8	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3827	0.044	3	110.3827	0.002	3	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6420	0.083	4	110.5219	0.023	8	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4017	0.090	4	110.5219	0.023	8	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.6295	0.091	4	110.6295	0.008	4	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	110.7750	0.000	1	110.7750	0.000	1	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.9462	3.441	4	111.9462	11.840	4	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.0427	0.042	4	110.0427	0.002	4	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H){1|Si<4>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3920	0.068	2	110.3920	0.005	2	110.4483	0.457	138	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5]C[5]2H)	110.4755	0.328	21	110.4564	0.102	23	110.4564	0.102	23	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	H(C[5]C[5]2H)	110.2380	0.000	1	110.4564	0.102	23	110.4564	0.102	23	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2750	0.000	1	110.4564	0.102	23	110.4564	0.102	23	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6780	0.064	4	110.6780	0.004	4	110.6780	0.004	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.6892	0.036	6	110.6892	0.001	6	110.6892	0.001	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.4850	0.024	2	110.4850	0.001	2	110.4850	0.001	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B[5]-3:H-1:	C[5]-4:	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3960	0.010	2	110.3960	0.000	2	110.3960	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:Br-1:	C[5]-4:	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(Br)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(Br){4|H<1>}	H(C[5]C[5]2H)	110.2895	0.301	2	110.2895	0.090	2	110.2895	0.090	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.4017	0.062	4	110.4017	0.004	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.6543	0.191	3	110.6543	0.036	3	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.2980	0.021	2	111.1075	0.049	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9170	0.030	2	111.1075	0.049	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]2H)	110.4690	0.033	3	110.4690	0.001	3	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8415	0.029	2	110.8415	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.2095	0.026	4	110.3279	0.195	15	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0405	1.197	2	110.3279	0.195	15	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]2H)	110.7154	0.133	5	110.3279	0.195	15	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.1055	0.135	4	110.3279	0.195	15	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9327	0.255	3	110.9327	0.065	3	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6600	1.747	2	110.6600	3.050	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7075	0.005	2	110.7075	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]2H)	110.1770	0.017	2	110.1770	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<2>,2|C<2>,2|C<3>}	H(C[5]C[5]2H)	110.6693	0.074	4	110.6693	0.006	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5127	0.245	7	110.5127	0.060	7	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6863	0.120	4	110.7008	0.012	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7812	0.035	4	110.7008	0.012	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5690	0.007	2	110.7008	0.012	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(CCC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.3235	0.016	2	110.3235	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6395	0.127	8	110.6395	0.016	8	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|Re<7>,1|C<4>,1|H<1>}	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>}	H(C[5]C[5]2H)	111.2510	2.697	2	111.2510	7.273	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5204	0.186	5	110.5204	0.034	5	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.2820	0.021	2	110.2820	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6720	0.452	8	110.6720	0.204	8	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7125	0.013	2	110.7125	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2748	1.393	6	110.2748	1.941	6	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8397	0.196	6	110.8397	0.038	6	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1780	0.078	2	110.1780	0.006	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	108.9745	0.674	2	109.6525	0.764	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3305	0.016	2	109.6525	0.764	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5455	0.152	22	110.5177	0.030	24	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.2125	0.023	2	110.5177	0.030	24	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2055	0.064	2	110.6428	0.104	11	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){4|H<1>}	H(C[5]C[5]2H)	110.4665	0.031	4	110.6428	0.104	11	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5588	0.244	5	110.6428	0.104	11	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8165	0.107	2	110.8165	0.011	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7257	2.355	18	110.7098	4.963	20	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5660	0.024	2	110.7098	4.963	20	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){4|H<1>}	H(C[5]C[5]2H)	110.4027	0.101	4	110.4027	0.010	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6323	0.472	3	110.6323	0.223	3	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6508	0.233	4	110.5860	0.043	6	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4565	0.015	2	110.5860	0.043	6	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.2010	0.471	2	110.6273	0.370	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0535	0.401	2	110.6273	0.370	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H){4|H<1>}	H(C[5]C[5]2H)	108.6560	0.027	2	108.6560	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8289	0.291	49	110.8289	0.085	49	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0955	0.158	6	110.6416	0.166	25	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8539	0.280	17	110.6416	0.166	25	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.4760	0.017	2	110.6416	0.166	25	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4753	0.081	4	110.4753	0.007	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6520	0.011	2	110.6520	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7055	0.071	4	110.7055	0.005	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6135	0.046	6	110.6135	0.002	6	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	111.2895	0.012	2	111.2895	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CCH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7230	0.018	2	110.7230	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8355	0.402	4	110.8355	0.162	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CNO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5828	0.217	4	110.5828	0.047	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.0025	0.006	2	112.2401	3.535	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(COO)(H){4|H<1>}	H(C[5]C[5]2H)	112.5495	1.999	8	112.2401	3.535	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6570	0.011	2	110.6570	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2200	3.944	2	111.2200	15.557	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6840	0.038	2	110.6840	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6800	0.076	4	110.6800	0.006	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.7480	0.068	3	110.7480	0.005	3	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CNO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.5247	0.121	4	111.5247	0.015	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.5935	0.015	2	110.5935	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	113.4622	4.120	4	112.0731	5.333	13	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1273	0.175	4	112.0731	5.333	13	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]2H)	112.2465	0.350	2	112.0731	5.333	13	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.3663	0.031	3	112.0731	5.333	13	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.0262	1.580	13	111.0262	2.495	13	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(CCC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.5740	0.008	2	111.5740	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.8178	0.958	4	110.7390	0.719	5	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H){1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4240	0.000	1	110.7390	0.719	5	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.7487	0.130	3	110.7487	0.017	3	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8240	0.405	4	110.8240	0.164	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.9385	0.008	2	110.9385	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9300	0.030	2	110.9300	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7265	0.006	2	110.7265	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	111.0072	0.084	4	110.9773	0.026	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7610	0.021	2	110.9773	0.026	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|Cu<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.9040	0.031	2	110.9773	0.026	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2070	0.048	2	110.9773	0.026	10	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2H)	111.3130	0.004	2	111.3130	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.9030	0.383	2	110.9030	0.147	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.4805	0.033	2	111.4805	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4217	0.082	3	110.4217	0.007	3	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5550	0.004	2	110.5550	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8980	0.000	1	110.8980	0.000	1	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0885	0.200	4	111.0885	0.040	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9825	0.228	2	110.9825	0.052	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.7590	0.000	1	110.7590	0.000	1	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	116.9980	1.824	2	116.9980	3.328	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H){2|H<1>}	H(C[5]C[5]2H)	111.2090	0.020	2	111.2090	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2H)	111.5070	0.337	2	111.5070	0.113	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9733	0.022	6	109.9733	0.000	6	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8710	0.069	2	110.7200	0.032	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5690	0.006	2	110.7200	0.032	4	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1220	0.000	1	111.1220	0.000	1	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5375	0.029	2	110.5375	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7250	0.176	6	110.7250	0.031	6	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)2(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.0078	0.050	8	110.0078	0.002	8	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)2(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4135	0.009	2	110.4135	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|Re<7>,1|C<4>,1|H<1>}	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.9540	2.558	2	109.9540	6.545	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|Re<7>,1|C<4>,1|H<1>}	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	111.5780	2.413	2	111.5780	5.821	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4305	0.033	2	110.4305	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8245	0.035	2	110.8245	0.001	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9205	0.074	2	110.9205	0.006	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<2>,2|C<3>}	H(C[5]C[5]2H)	110.8415	0.005	2	110.8415	0.000	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|O<2>,1|S<4>}	H(C[5]C[5]2H)	110.2355	0.050	2	110.2355	0.003	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8705	0.056	2	110.8705	0.003	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	105.7740	6.474	2	105.7740	41.916	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	110.2290	0.047	2	110.2290	0.002	2	110.7536	1.260	445	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6582	0.292	4	110.6582	0.085	4	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.2110	0.011	2	110.2110	0.000	2	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5100	0.025	2	110.5100	0.001	2	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3195	0.040	2	110.3195	0.002	2	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	109.7630	1.345	2	109.7630	1.809	2	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2H)	111.2075	0.011	2	111.2075	0.000	2	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|S<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5215	0.006	2	110.5215	0.000	2	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2{1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.9260	0.024	2	110.9260	0.001	2	110.5306	0.284	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.6565	2.029	2	111.6565	4.116	2	111.9442	2.503	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H){1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6625	0.036	2	110.6625	0.001	2	111.9442	2.503	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2{4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	113.5135	0.145	2	113.5135	0.021	2	111.9442	2.503	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(C)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(C){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	109.6765	0.022	2	109.6765	0.000	2	109.6765	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.6255	0.026	2	110.6255	0.001	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5746	0.240	9	110.5746	0.058	9	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(NHS)(H){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4650	0.006	2	110.4650	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8492	0.094	4	110.8492	0.009	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.5678	0.048	4	111.5678	0.002	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.9300	0.816	2	111.9300	0.666	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(NHS)(H){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.5110	0.007	2	111.5110	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.5975	0.006	2	110.5975	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|Br<1>,3|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.4345	0.012	2	110.4345	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NBC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NBC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.6153	0.014	3	110.6153	0.000	3	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.4500	0.000	1	110.4500	0.000	1	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCS)(H){4|H<1>}	H(C[5]C[5]2H)	111.0525	0.015	2	111.0525	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NC[5]Zn)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NC[5]Zn)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.1800	0.102	7	110.1800	0.010	7	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.8205	0.032	2	110.3515	0.053	13	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.2853	0.113	7	110.3515	0.053	13	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.2327	0.107	4	110.3515	0.053	13	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.7002	0.029	4	110.7002	0.001	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5038	0.380	11	110.5038	0.144	11	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiC)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.4190	0.101	6	110.4190	0.010	6	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.4792	0.116	4	110.3155	0.038	8	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.1517	0.054	4	110.3155	0.038	8	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4655	0.008	2	110.6906	1.487	8	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7657	1.434	6	110.6906	1.487	8	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8017	0.377	64	110.8017	0.142	64	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.2260	0.027	2	110.2260	0.001	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H){4|H<1>}	H(C[5]C[5]2H)	111.2495	0.037	4	111.2495	0.001	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.7976	0.372	57	110.7976	0.138	57	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9235	1.111	2	109.7062	0.929	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	109.4890	1.168	2	109.7062	0.929	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H){4|H<1>}	H(C[5]C[5]2H)	111.0290	0.016	2	111.0290	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(NCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7580	0.029	4	110.8127	0.099	26	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)2(NCC)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.6910	0.054	2	110.8127	0.099	26	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NCC)(H){4|H<1>}	H(C[5]C[5]2H)	110.8358	0.356	20	110.8127	0.099	26	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(NCH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.4340	0.703	2	110.6382	0.084	25	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6559	0.255	23	110.6382	0.084	25	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NC[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NC[5]C)(H){4|H<1>}	H(C[5]C[5]2H)	110.9295	0.397	4	110.9295	0.158	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NC[5a]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NC[5a]H)(H){4|H<1>}	H(C[5]C[5]2H)	110.8823	0.144	7	110.8823	0.021	7	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NC[6a]Al)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NC[6a]Al)(H){4|H<1>}	H(C[5]C[5]2H)	110.8425	0.209	11	110.8425	0.044	11	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NC[6a]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NC[6a]C)(H){4|H<1>}	H(C[5]C[5]2H)	110.5760	0.031	3	110.5760	0.001	3	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NCuC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NCuC)(H){4|H<1>}	H(C[5]C[5]2H)	110.9619	0.285	17	110.9619	0.081	17	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.9802	1.061	4	110.9802	1.125	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NHP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NHP)(H){4|H<1>}	H(C[5]C[5]2H)	110.5837	0.244	7	110.5837	0.060	7	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.7782	0.278	4	110.7782	0.077	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NNiC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NNiC)(H){4|H<1>}	H(C[5]C[5]2H)	111.1407	0.480	4	111.1407	0.231	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.0570	0.017	2	111.0570	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(NCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NCC)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2H)	111.3430	0.052	2	111.3430	0.003	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.4850	0.014	2	110.4850	0.000	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3345	0.098	2	110.3345	0.010	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	110.3490	0.025	2	110.4295	5.058	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	110.5100	3.892	2	110.4295	5.058	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){2|H<1>}	H(C[5]C[5]2H)	111.2070	0.027	2	111.2070	0.001	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H){2|H<1>}	H(C[5]C[5]2H)	111.2907	0.090	3	111.2907	0.008	3	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5203	0.054	3	110.5203	0.003	3	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)2(H)2	C[5](C[5]C[5]HH)2(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)2(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(NCH)(H){2|H<1>,2|N<3>}	H(C[5]C[5]2H)	110.4367	0.089	3	110.5782	2.940	5	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)2(H)2	C[5](C[5]C[5]HH)2(NCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NCH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.7905	3.405	2	110.5782	2.940	5	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2H)	110.8520	0.054	2	110.8520	0.003	2	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.4230	0.342	3	111.4230	0.117	3	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	111.2067	0.096	4	111.2067	0.009	4	110.7491	0.275	371	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<10>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0186	0.686	9	111.0186	0.471	9	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0210	0.008	2	111.0048	0.000	4	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9885	0.009	2	111.0048	0.000	4	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,6|H<1>}	H(C[5]C[5]2H)	110.8705	0.218	4	109.6248	6.826	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0975	0.256	4	109.6248	6.826	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[5]2H)	106.9062	3.178	4	109.6248	6.826	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6175	0.013	2	110.8331	0.049	11	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.8624	0.223	8	110.8331	0.049	11	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.0300	0.000	1	110.8331	0.049	11	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8113	0.514	4	111.1677	2.882	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.8240	3.999	2	111.1677	2.882	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2H)	112.0280	3.176	2	111.1677	2.882	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6195	0.141	2	111.1677	2.882	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.9120	1.105	2	111.1677	2.882	12	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	107.4855	1.582	2	110.0795	4.368	8	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8175	0.030	2	110.0795	4.368	8	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.1375	1.713	2	110.0795	4.368	8	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.8775	2.661	2	110.0795	4.368	8	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7945	0.008	2	110.7945	0.000	2	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Ga<4>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.2120	0.030	2	110.9400	0.099	4	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|In<4>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6680	0.013	2	110.9400	0.099	4	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	111.1570	0.491	2	111.0305	0.102	4	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.9040	0.007	2	111.0305	0.102	4	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9565	0.015	2	110.9565	0.000	2	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.3360	0.054	2	111.3360	0.003	2	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.0780	0.240	5	111.0780	0.058	5	110.6925	2.241	75	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.4870	0.157	4	110.4870	0.025	4	110.7772	0.102	44	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[5]C[5]2H)	111.0323	0.433	4	110.8648	0.153	24	110.7772	0.102	44	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	H(C[5]C[5]2H)	110.6052	0.466	8	110.8648	0.153	24	110.7772	0.102	44	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.9300	0.096	8	110.8648	0.153	24	110.7772	0.102	44	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.0860	0.410	4	110.8648	0.153	24	110.7772	0.102	44	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	H(C[5]C[5]2H)	110.6679	0.133	8	110.7184	0.013	16	110.7772	0.102	44	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.7689	0.069	8	110.7184	0.013	16	110.7772	0.102	44	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|P<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.9000	0.053	4	110.9000	0.003	4	110.9000	0.003	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){3|H<1>}	H(C[5]C[5]2H)	105.5790	4.565	2	109.2132	12.106	6	110.2900	4.625	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){4|H<1>}	H(C[5]C[5]2H)	111.0302	0.151	4	109.2132	12.106	6	110.2900	4.625	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SAl2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SAl2)(H){4|H<1>}	H(C[5]C[5]2H)	110.9123	0.041	3	110.9123	0.002	3	110.2900	4.625	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[5a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC[5a]O)(H){4|H<1>}	H(C[5]C[5]2H)	110.7943	0.237	7	110.7943	0.056	7	110.2900	4.625	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8220	2.701	2	110.8220	7.296	2	110.2900	4.625	18	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	111.1265	0.012	2	111.1265	0.000	2	111.1265	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2{2|C<3>,4|C<4>}	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.2140	0.033	3	111.2140	0.001	3	111.2140	0.001	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1043	0.187	4	111.1043	0.035	4	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|F<1>,3|H<1>}	H(C[5]C[5]2H)	110.6565	2.343	2	110.6565	5.488	2	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0133	0.299	11	111.0133	0.090	11	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.0300	1.772	2	110.0300	3.140	2	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0855	0.210	6	111.0855	0.044	6	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9567	0.256	13	110.9567	0.066	13	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H){4|H<1>}	H(C[5]C[5]2H)	110.5235	0.484	2	110.5235	0.235	2	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H){4|H<1>}	H(C[5]C[5]2H)	110.7070	0.017	2	110.7070	0.000	2	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.6070	0.221	10	110.8655	0.888	97	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7802	0.957	87	110.8655	0.888	97	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1575	1.154	4	111.1575	1.331	4	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7012	0.187	10	110.7012	0.035	10	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){1|S<2>,3|H<1>}	H(C[5]C[5]2H)	109.8275	4.598	2	109.8275	21.145	2	110.8619	0.825	155	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.0795	0.251	4	111.0795	0.063	4	111.0795	0.063	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	H(C[5]C[5]2H)	110.4873	0.069	3	110.4873	0.005	3	110.4873	0.005	3	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H){4|H<1>}	H(C[5]C[5]2H)	110.5095	1.354	2	110.5095	1.834	2	111.1238	6.947	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H){4|H<1>}	H(C[5]C[5]2H)	111.7380	4.183	2	111.7380	17.500	2	111.1238	6.947	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9360	0.051	2	110.9360	0.003	2	110.7688	0.037	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8400	0.041	2	110.8400	0.002	2	110.7688	0.037	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5305	0.008	2	110.5305	0.000	2	110.7688	0.037	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7105	0.054	2	110.7105	0.003	2	111.2313	0.131	7	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.4396	0.074	5	111.4396	0.006	5	111.2313	0.131	7	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H){2|C<3>,8|H<1>}	H(C[5]C[5]2H)	110.8890	0.020	2	110.8890	0.000	2	110.8890	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9380	0.054	2	110.9380	0.003	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9287	1.429	15	110.9287	2.042	15	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6713	0.072	4	110.6713	0.005	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,3|H<1>}	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	111.5417	10.933	4	111.5417	119.520	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,3|H<1>}	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9465	0.084	2	110.9465	0.007	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6545	0.019	2	110.9403	0.109	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	111.2260	0.018	2	110.9403	0.109	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7407	0.070	4	110.9959	0.133	14	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	111.4405	0.036	2	110.9959	0.133	14	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0122	0.388	8	110.9959	0.133	14	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	109.1495	1.740	2	109.1495	3.028	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<8>,3|H<1>}	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9537	0.341	4	110.9537	0.116	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8411	0.323	69	110.8411	0.104	69	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7170	0.050	4	110.7170	0.002	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,3|H<1>}	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0588	0.119	10	111.0588	0.014	10	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8526	0.346	14	110.8526	0.120	14	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,3|H<1>}	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0690	0.088	2	111.0690	0.008	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7270	0.037	2	110.7270	0.001	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7625	0.023	2	110.7625	0.001	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7030	0.045	2	110.7030	0.002	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6663	0.062	4	110.6663	0.004	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.7060	0.014	2	110.7060	0.000	2	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7477	0.262	4	110.7477	0.068	4	110.8638	2.490	166	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(C[5]N[5]2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zn<4>,2|N<3>,3|H<1>}	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.4610	0.014	2	109.4610	0.000	2	109.8358	0.188	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2105	0.032	2	110.2105	0.001	2	109.8358	0.188	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2O)	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	110.7735	0.012	2	110.7735	0.000	2	110.6898	0.010	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H){4|H<1>}	H(C[5]C[5]N[5]H)	110.6060	0.048	2	110.6060	0.002	2	110.6898	0.010	4	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	110.9030	0.045	2	110.9030	0.002	2	110.9030	0.002	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(S[5]C[5,5]OO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HN)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]S[5]H)	111.2995	0.056	2	111.2995	0.003	2	111.2995	0.003	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H){2|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	110.8205	0.131	4	110.8205	0.017	4	110.8972	0.025	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H){2|O<1>,3|C<3>}	H(C[5]C[5]S[5]H)	111.0505	0.050	2	111.0505	0.003	2	110.8972	0.025	6	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	110.6090	0.004	2	110.6090	0.000	2	110.6090	0.000	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2{10|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	H(C[5]Si[5]C[5]H)	111.8200	0.052	2	111.8200	0.003	2	111.8200	0.003	2	110.7350	1.018	1912	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	110.3885	0.119	10	110.3927	0.013	11	110.3927	0.013	11	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|O<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	110.4350	0.000	1	110.3927	0.013	11	110.3927	0.013	11	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.4630	0.042	2	110.4630	0.002	2	110.4206	7.596	28	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.6455	0.036	2	110.6455	0.001	2	110.4206	7.596	28	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	110.3983	2.985	24	110.3983	8.911	24	110.4206	7.596	28	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2{2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.1405	0.721	2	110.1405	0.519	2	110.1405	0.519	2	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2Br)	107.8260	0.000	1	108.1063	0.169	4	108.1063	0.169	4	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2Br)	108.1997	0.448	3	108.1063	0.169	4	108.1063	0.169	4	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO)	H(C[5]C[5]2H)	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO){1|O<1>,4|H<1>}	H(C[5]C[5]2H)	110.6095	0.006	2	110.6095	0.000	2	110.6095	0.000	2	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5]2H)	110.9565	0.019	2	110.9607	0.000	3	111.1015	0.034	6	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9690	0.000	1	110.9607	0.000	3	111.1015	0.034	6	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5]C[5]2H)	111.3345	0.013	2	111.3345	0.000	2	111.1015	0.034	6	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0580	0.000	1	111.0580	0.000	1	111.1015	0.034	6	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3105	0.022	2	110.3105	0.000	2	110.2319	0.227	36	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	108.5250	1.107	2	108.5250	1.226	2	110.2319	0.227	36	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3348	0.031	6	110.3348	0.001	6	110.2319	0.227	36	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2782	0.043	6	110.3441	0.025	20	110.2319	0.227	36	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3242	0.141	12	110.3441	0.025	20	110.2319	0.227	36	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6620	0.074	2	110.3441	0.025	20	110.2319	0.227	36	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.2975	0.107	6	110.2975	0.011	6	110.2319	0.227	36	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.7130	0.000	1	110.7130	0.000	1	110.3771	0.040	8	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.2000	0.036	3	110.2000	0.001	3	110.3771	0.040	8	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(CN){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3080	0.048	2	110.3080	0.002	2	110.3771	0.040	8	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(CN){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5440	0.059	2	110.5440	0.004	2	110.3771	0.040	8	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[6a]O)(NC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]O)(NC){4|H<1>}	H(C[5]C[5]2H)	110.7395	0.321	4	110.7395	0.103	4	110.7395	0.103	4	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4437	0.032	4	110.4084	0.044	23	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4010	0.231	19	110.4084	0.044	23	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2183	0.171	7	110.2183	0.029	7	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3975	0.035	2	110.3975	0.001	2	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0985	0.037	2	111.0985	0.001	2	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH){4|H<1>}	H(C[5]C[5]2H)	110.3540	0.000	1	110.3540	0.000	1	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[6a]N)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]N)(OH){4|H<1>}	H(C[5]C[5]2H)	111.0715	0.107	2	111.0715	0.011	2	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCuC)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCuC)(OH){4|H<1>}	H(C[5]C[5]2H)	110.8895	0.155	18	110.8895	0.024	18	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(COO)(OH){4|H<1>}	H(C[5]C[5]2H)	110.8980	0.234	11	110.8980	0.055	11	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.3145	0.537	2	110.3145	0.288	2	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.4214	0.104	5	110.4214	0.011	5	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.2440	0.066	2	110.2440	0.004	2	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC){2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]2H)	109.9590	0.006	2	109.9590	0.000	2	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3405	0.083	4	110.3405	0.007	4	110.5778	0.119	81	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:S-2:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]N[5]CC)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8555	0.008	2	110.8555	0.000	2	110.8413	0.001	3	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:S-2:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.8130	0.000	1	110.8130	0.000	1	110.8413	0.001	3	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0340	0.044	2	110.8986	0.024	11	110.8986	0.024	11	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8686	0.157	9	110.8986	0.024	11	110.8986	0.024	11	110.4600	1.311	196	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[3,5]C[5]H)	111.6620	2.085	2	111.6620	4.345	2	111.6620	4.345	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[3,5]HH)2(COO)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CC)(H)2{1|C<3>,4|H<1>}	C[5](C[5]C[3,5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.2585	0.101	2	110.2585	0.010	2	110.4651	0.028	8	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5]H)	110.5885	0.008	2	110.5885	0.000	2	110.4651	0.028	8	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[3,5]C[5]H)	110.5190	0.045	2	110.5190	0.002	2	110.4651	0.028	8	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3,5]HH)2(COO)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[3,5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.4945	0.252	2	110.4945	0.064	2	110.4651	0.028	8	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[3,5]C[5]H)	118.0630	2.393	2	118.0630	5.726	2	118.0630	5.726	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)2	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[3x5,6]C[5]H)	110.6190	0.030	2	110.6190	0.001	2	110.6190	0.001	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)2	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5,5]C[5]H)	110.1640	0.033	2	110.1640	0.001	2	110.1640	0.001	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(COO)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.6835	0.032	2	110.6835	0.001	2	110.6835	0.001	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5]C[5]H)	110.4590	0.038	2	110.4590	0.001	2	110.4282	0.043	10	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[4,5]HH)2(COO)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[4,5]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.7110	0.010	2	110.4450	0.096	4	110.4282	0.043	10	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[4,5]HH)2(COO)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[4,5]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.1790	0.078	2	110.4450	0.096	4	110.4282	0.043	10	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(COO)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[4,5]C[5]H)	110.5425	0.019	2	110.5425	0.000	2	110.4282	0.043	10	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[4,5]C[5]H)	110.2495	0.006	2	110.2495	0.000	2	110.4282	0.043	10	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.6405	0.008	2	110.6405	0.000	2	110.7007	0.074	6	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]C[5]H)	111.0295	0.026	2	111.0295	0.001	2	110.7007	0.074	6	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(COO)2{1|C<4>,2|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.4320	0.058	2	110.4320	0.003	2	110.7007	0.074	6	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5,6]C[5]H)	110.2975	0.071	4	110.2975	0.005	4	110.2975	0.005	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(COO)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.7088	0.060	4	110.7088	0.004	4	110.6686	0.037	23	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.7670	0.053	4	110.7670	0.003	4	110.6686	0.037	23	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.5475	0.021	2	110.5475	0.000	2	110.6686	0.037	23	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6115	0.036	4	110.6115	0.001	4	110.6686	0.037	23	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)2(COO)2{1|Ru<8>,2|C<4>}	H(C[5]C[5,5]C[5]H)	111.0380	0.029	3	111.0380	0.001	3	110.6686	0.037	23	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.4250	0.101	4	110.4250	0.010	4	110.6686	0.037	23	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.5600	0.062	2	110.5600	0.004	2	110.6686	0.037	23	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2515	0.042	2	110.7913	0.141	17	110.7913	0.141	17	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	111.2608	0.178	4	110.7913	0.141	17	110.7913	0.141	17	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,1|S<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5790	0.192	4	110.7913	0.141	17	110.7913	0.141	17	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5205	0.039	2	110.7913	0.141	17	110.7913	0.141	17	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	110.5098	0.061	5	110.7913	0.141	17	110.7913	0.141	17	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.7432	0.039	4	110.7432	0.002	4	110.7432	0.002	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2{2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(COO)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.7365	0.066	2	110.7365	0.004	2	110.7365	0.004	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.7500	0.058	3	110.7500	0.003	3	110.6254	0.021	16	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.5420	0.046	11	110.5420	0.002	11	110.6254	0.021	16	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.7900	0.000	1	110.7900	0.000	1	110.6254	0.021	16	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(COO)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0040	0.000	1	111.0040	0.000	1	110.6254	0.021	16	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO){4|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	111.1813	0.041	4	111.1813	0.002	4	111.1813	0.002	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8407	0.121	4	110.8407	0.015	4	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.4835	2.320	2	110.4835	5.382	2	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9370	0.070	4	110.9370	0.005	4	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	110.7441	0.213	7	110.7441	0.045	7	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3850	2.654	2	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8220	0.024	2	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8107	0.136	4	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.9052	0.044	4	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	108.3785	3.965	4	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.9195	0.036	2	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5765	0.030	2	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(COO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3600	0.782	2	110.2956	3.507	22	110.5075	2.156	39	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8090	0.010	2	110.8090	0.000	2	110.9087	0.014	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2{4|C<3>}	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0085	0.030	2	111.0085	0.001	2	110.9087	0.014	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.9445	0.030	2	110.9445	0.001	2	110.9445	0.001	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5185	0.018	2	110.5185	0.000	2	110.6195	0.061	26	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	110.7373	0.074	3	110.7373	0.006	3	110.6195	0.061	26	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.6790	0.000	1	110.6790	0.000	1	110.6195	0.061	26	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2{2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.4690	0.042	2	110.4690	0.002	2	110.6195	0.061	26	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	111.2050	0.016	3	111.2050	0.000	3	110.6195	0.061	26	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2{5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	110.5037	0.115	9	110.5037	0.013	9	110.6195	0.061	26	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.5155	0.119	6	110.5155	0.014	6	110.6195	0.061	26	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4020	0.042	2	110.4020	0.002	2	110.7827	3.631	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1635	3.211	2	111.1635	10.310	2	110.7827	3.631	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.4730	0.013	2	110.4730	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.4729	0.142	10	110.4729	0.020	10	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.8043	0.132	3	110.8043	0.017	3	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	110.6750	0.010	2	110.6750	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.5918	0.062	4	110.5918	0.004	4	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.7155	0.085	6	110.7155	0.007	6	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO){1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.3575	0.016	2	110.3575	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5395	0.145	4	110.5395	0.021	4	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.3105	0.035	2	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.5138	2.109	8	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6355	1.590	4	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3560	0.034	2	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.0989	1.460	8	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.7470	0.008	2	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8370	0.028	2	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.5913	0.016	3	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.7348	0.038	4	110.7045	1.642	35	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6520	0.030	2	110.6520	0.001	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2H)	110.7370	0.006	2	110.3956	0.109	5	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.1680	0.153	3	110.3956	0.109	5	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.7675	0.015	2	110.7675	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3880	0.014	2	110.3880	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CHN)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	H(C[5]C[5]2H)	110.6680	0.333	20	110.6680	0.111	20	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.9583	0.079	3	110.9583	0.006	3	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(COO)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6940	2.843	2	110.6940	8.080	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	110.9650	0.017	2	110.9650	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.7800	0.000	1	110.7800	0.000	1	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.7895	0.088	2	110.9380	0.032	6	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0122	0.169	4	110.9380	0.032	6	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.3870	0.006	2	110.3870	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.1425	0.012	2	111.1425	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5885	0.016	2	110.5885	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	110.3165	0.008	2	110.3165	0.000	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6165	0.036	2	110.6165	0.001	2	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	109.9333	1.294	4	109.9333	1.673	4	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(COO)2	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	110.8380	0.000	1	110.8380	0.000	1	110.6395	0.608	128	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CNO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(CNO)(NCH){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7774	0.226	14	110.7812	0.063	18	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CNO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CNO)(NCH){4|H<1>}	H(C[5]C[5]2H)	110.7945	0.366	4	110.7812	0.063	18	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CNO)(NHH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CNO)(NHH){4|H<1>}	H(C[5]C[5]2H)	111.3083	2.176	8	111.3083	4.737	8	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(COO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)(NCH){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.9667	0.035	3	110.7297	0.068	7	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(COO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(COO)(NCH){4|H<1>}	H(C[5]C[5]2H)	110.5520	0.194	4	110.7297	0.068	7	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(CNO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)2(CNO)(NCH){2|H<1>,2|N<2>}	H(C[5]C[5]2H)	110.6928	0.328	17	110.6928	0.108	17	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(COO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)(NCH){2|H<1>,2|N<2>}	H(C[5]C[5]2H)	110.6397	0.723	4	110.6397	0.523	4	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(CNO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(CNO)(NCH){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.8251	0.422	18	110.6920	0.131	37	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(CNO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CNO)(NCH){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5659	0.244	19	110.6920	0.131	37	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(COO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(COO)(NCH){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.8431	0.347	11	110.7555	0.115	15	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(COO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(COO)(NCH){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.5148	0.170	4	110.7555	0.115	15	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(NCH){2|H<1>}	H(C[5]C[5]2H)	110.7255	0.060	2	110.7255	0.004	2	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1132	0.260	31	111.1132	0.068	31	110.8408	0.377	139	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:N-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2	C[5](C[5]C[5]HH)2(NC[6]H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NC[6]H)2{4|H<1>}	H(C[5]C[5]2H)	111.0583	0.106	4	111.0583	0.011	4	111.0583	0.011	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]H)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]H)(COO){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1015	0.018	2	111.1015	0.000	2	111.1015	0.000	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-3:S-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2	C[5](C[5]C[5]HH)2(SRh2)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SRh2)2{4|H<1>}	H(C[5]C[5]2H)	110.4002	1.967	4	110.4002	3.869	4	110.4002	3.869	4	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	108.9320	3.468	2	108.9320	12.025	2	108.9320	12.025	2	110.7270	0.849	458	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]O)(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]O)(CHHO){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4395	0.019	2	110.4395	0.000	2	110.4395	0.000	2	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.5490	0.020	2	110.5490	0.000	2	110.7140	0.044	7	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3920	0.000	1	110.3920	0.000	1	110.7140	0.044	7	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8770	0.021	4	110.8770	0.000	4	110.7140	0.044	7	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(CH3){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.0673	0.043	7	110.0673	0.002	7	110.0083	0.057	22	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(CH3){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	109.8895	0.269	11	109.8895	0.073	11	110.0083	0.057	22	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(CH3){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.2318	0.168	4	110.2318	0.028	4	110.0083	0.057	22	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(N[5]C[5]2)(COPP)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(N[5]C[5]2)(COPP){1|C<3>,1|N<3>,6|H<1>}	H(C[5]C[5]2H)	110.8833	0.133	4	110.8833	0.018	4	110.8210	0.020	6	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]O[5]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.6965	0.021	2	110.6965	0.000	2	110.8210	0.020	6	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:3:4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	109.9763	0.123	4	109.9763	0.015	4	109.9763	0.015	4	110.2656	0.168	41	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|P<4>,3|H<1>,4|C<3>}	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]B[5]C[5]H)	110.7210	0.027	2	110.7210	0.001	2	110.7210	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H){2|C<3>,2|H<1>}	H(C[5]B[5]C[5]H)	110.7905	0.035	2	110.7905	0.001	2	111.1707	0.193	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{4|C<3>,4|H<1>}	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H){2|C<3>,2|H<1>}	H(C[5]B[5]C[5]H)	111.5510	0.025	2	111.5510	0.001	2	111.1707	0.193	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{2|C<4>,5|C<3>}	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H){3|C<3>}	H(C[5]B[5]C[5]H)	109.6830	0.418	4	109.6830	0.174	4	109.4943	0.190	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|Si<4>,2|C<4>,4|C<3>}	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H){1|Si<4>,2|C<3>}	H(C[5]B[5]C[5]H)	109.1170	0.018	2	109.1170	0.000	2	109.4943	0.190	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|N<2>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|N<2>,6|C<3>}	H(C[5]B[5]C[5]H)	110.0950	0.028	2	110.2120	0.011	6	110.2120	0.011	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<1>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<1>,6|C<3>}	H(C[5]B[5]C[5]H)	110.3245	0.018	2	110.2120	0.011	6	110.2120	0.011	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<2>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<2>,6|C<3>}	H(C[5]B[5]C[5]H)	110.2165	0.026	2	110.2120	0.011	6	110.2120	0.011	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[3,5]C[5]H)	109.8305	4.748	2	109.8305	22.546	2	110.3330	7.852	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2{3|C<4>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]H)	110.8355	0.015	2	110.8355	0.000	2	110.3330	7.852	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H){1|C<3>,3|C<4>}	H(C[5]C[3x5]C[5]H)	110.2265	3.277	2	110.2265	10.742	2	110.2265	10.742	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H){1|O<2>,3|C<4>}	H(C[5]C[4,5,6]C[5]H)	110.7523	0.146	3	110.7523	0.021	3	110.7523	0.021	3	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]O)(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H){1|O<2>,3|C<4>}	H(C[5]C[4,5]C[5]H)	110.5750	0.164	2	110.5750	0.027	2	110.5750	0.027	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,3x6]C[5]H)	110.8980	0.004	2	110.8980	0.000	2	110.8980	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	111.1650	0.054	3	111.1650	0.003	3	111.1650	0.003	3	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:F-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]CF)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]CF)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F){3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.4740	0.055	2	110.4740	0.003	2	110.4740	0.003	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2{1|C<3>,2|O<2>,7|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H){2|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.8896	0.103	8	110.8896	0.011	8	110.8896	0.011	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]Cl)	108.2060	0.000	1	108.2775	0.010	2	108.2775	0.010	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]Cl)	108.3490	0.000	1	108.2775	0.010	2	108.2775	0.010	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2{1|C<3>,4|C<4>}	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	H(C[5]C[5,5]C[5]H)	111.0120	0.037	2	111.0120	0.001	2	111.0120	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.6510	0.000	1	110.6510	0.000	1	110.8880	0.734	3	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2{2|H<1>,3|C<4>}	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	111.0065	1.176	2	111.0065	1.383	2	110.8880	0.734	3	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2{1|O<2>,4|C<4>}	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	111.1877	0.060	4	111.1877	0.004	4	111.1877	0.004	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8485	0.019	2	110.8485	0.000	2	110.8485	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H){2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6345	0.030	2	110.6345	0.001	2	110.6345	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	110.6950	0.000	1	110.6950	0.000	1	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)2(CC3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]HH)2(CC3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8270	0.023	2	110.8270	0.001	2	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7605	0.013	2	110.7605	0.000	2	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)2(CC3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]HH)2(CC3)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.8050	0.039	4	110.8488	0.006	6	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)2(CC3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(CC3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.9365	0.011	2	110.8488	0.006	6	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)2(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.2730	0.021	2	110.2730	0.000	2	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)2(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)2(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.9750	0.000	1	110.9750	0.000	1	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.4670	0.037	2	110.4670	0.001	2	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7395	0.009	2	110.7395	0.000	2	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.2730	0.000	1	110.2730	0.000	1	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3395	0.172	4	110.3395	0.030	4	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.6010	0.210	4	110.6010	0.044	4	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.8691	0.092	8	110.8691	0.009	8	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.3426	0.270	5	110.3426	0.073	5	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	110.4370	0.018	4	110.4370	0.000	4	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	110.8385	0.078	4	110.8385	0.006	4	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|H<1>,2|S<2>}	H(C[5]C[5,5]C[5]H)	110.7823	0.058	3	110.7823	0.003	3	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7815	0.032	2	110.7815	0.001	2	110.6530	0.062	53	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2{1|C<3>,1|N<2>,3|O<2>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.8260	0.013	2	110.8260	0.000	2	111.4486	1.047	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	111.1335	0.019	2	111.6562	1.258	6	111.4486	1.047	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	111.9175	1.351	4	111.6562	1.258	6	111.4486	1.047	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H){1|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	111.2445	2.469	2	111.2445	6.094	2	111.2445	6.094	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	109.8335	0.009	2	109.8335	0.000	2	109.8335	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.3670	0.040	2	110.3670	0.002	2	110.3670	0.002	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.4375	0.034	6	110.4375	0.001	6	110.3863	0.010	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.2325	0.037	2	110.2325	0.001	2	110.3863	0.010	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6,6]HH)2(CH3)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)2(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	112.3770	0.522	2	112.3770	0.272	2	112.3320	0.297	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6,6]HH)2(CH3)(H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]HH)2(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	112.2870	0.781	2	112.2870	0.609	2	112.3320	0.297	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	109.7130	0.211	2	109.7130	0.044	2	109.7130	0.044	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1600	0.000	1	111.1600	0.000	1	110.6965	0.056	15	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.4385	0.015	2	110.4385	0.000	2	110.6965	0.056	15	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5355	0.019	2	110.5355	0.000	2	110.6965	0.056	15	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5217	0.126	4	110.5217	0.016	4	110.6965	0.056	15	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	H(C[5]C[5,6]C[5]H)	110.9415	0.057	2	110.9415	0.003	2	110.6965	0.056	15	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.8505	0.015	2	110.8505	0.000	2	110.6965	0.056	15	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8345	0.054	2	110.8345	0.003	2	110.6965	0.056	15	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7385	0.011	2	110.7385	0.000	2	110.7385	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|O<2>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.0480	0.065	2	111.0480	0.004	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.1265	0.052	2	111.1265	0.003	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8390	2.194	6	110.8307	3.439	8	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8060	0.018	2	110.8307	3.439	8	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.9340	0.191	24	110.9446	0.038	25	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1990	0.000	1	110.9446	0.038	25	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8332	0.056	4	110.8332	0.003	4	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.2883	0.224	9	111.2883	0.050	9	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.7430	0.007	2	110.7430	0.000	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8530	0.030	2	110.8530	0.001	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6385	0.033	2	110.6385	0.001	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.3705	0.009	2	110.3742	0.001	6	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3760	0.036	4	110.3742	0.001	6	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.8590	0.011	2	110.8590	0.000	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)2(CHHS)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4765	4.673	2	110.4765	21.839	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.0370	0.054	2	111.0370	0.003	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)2(CHHS)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)2(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.1355	0.641	2	109.1355	0.411	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)2(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	110.7385	0.074	2	110.7385	0.006	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)2(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]H)	111.1085	0.053	2	111.1085	0.003	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	110.3530	0.040	2	110.3530	0.002	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3400	0.004	2	110.3400	0.000	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.1480	0.021	2	110.1480	0.000	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6790	0.016	2	110.6790	0.000	2	110.8049	0.736	82	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.3115	1.337	2	111.3115	1.788	2	111.3115	1.788	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7190	0.333	4	110.7190	0.111	4	111.0620	0.120	17	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.7920	0.072	2	111.1675	0.082	13	111.0620	0.120	17	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	111.2358	0.253	11	111.1675	0.082	13	111.0620	0.120	17	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.0975	0.025	2	111.0975	0.001	2	111.0975	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<1>,3|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	110.5850	0.014	2	110.5850	0.000	2	110.5850	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H){4|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	H(C[5]C[5]2Br)	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H){4|H<1>}	H(C[5]C[5]2Cl)	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	H(C[5]C[5]2Cl)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H)	H(C[5]C[5]2F)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]2F)	111.7640	0.263	2	111.7640	0.069	2	111.7640	0.069	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2F)	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.8995	0.022	2	109.8995	0.000	2	109.8995	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.8887	3.028	3	110.8887	9.169	3	110.9890	4.603	5	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2{2|C<3>}	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H){2|C<4>,4|C<3>}	H(C[5]C[5]2H)	111.1395	0.012	2	111.1395	0.000	2	110.9890	4.603	5	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{2|C<4>}	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.2355	0.006	2	111.2355	0.000	2	111.2355	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2{3|C<4>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7360	0.030	2	110.7360	0.001	2	110.7360	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.9015	0.029	2	110.9015	0.001	2	110.9015	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.7485	0.030	2	110.7485	0.001	2	110.4846	0.624	30	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3195	0.368	4	110.3195	0.135	4	110.4846	0.624	30	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3520	0.000	1	110.3520	0.000	1	110.4846	0.624	30	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2635	0.250	6	110.2635	0.063	6	110.4846	0.624	30	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6715	0.219	11	110.6715	0.048	11	110.4846	0.624	30	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H){1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.1955	3.970	2	110.1955	15.764	2	110.4846	0.624	30	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.5132	0.059	4	110.5132	0.003	4	110.4846	0.624	30	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.8823	0.087	3	110.8823	0.008	3	111.0302	0.594	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	111.2035	1.679	2	111.1780	1.412	3	111.0302	0.594	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.1270	0.000	1	111.1780	1.412	3	111.0302	0.594	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9950	0.031	2	109.8292	4.273	6	110.5289	2.493	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	107.1985	0.715	2	109.8292	4.273	6	110.5289	2.493	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.2940	0.004	2	109.8292	4.273	6	110.5289	2.493	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.0335	0.021	2	111.0335	0.000	2	110.5289	2.493	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3263	0.153	4	111.3263	0.023	4	110.5289	2.493	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7815	0.053	2	110.7815	0.003	2	110.7815	0.003	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8895	0.052	2	110.8895	0.003	2	110.8895	0.003	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1985	0.021	2	110.3197	0.020	4	110.6873	0.590	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.4410	0.021	2	110.3197	0.020	4	110.6873	0.590	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.5575	1.404	2	111.5575	1.970	2	110.6873	0.590	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5520	0.100	2	110.5520	0.010	2	110.6873	0.590	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.0295	0.046	2	110.0295	0.002	2	110.0295	0.002	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	111.9590	3.562	2	111.2459	1.173	22	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.1160	1.426	6	111.2459	1.173	22	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.7810	0.008	2	111.2459	1.173	22	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.2694	0.145	12	111.2459	1.173	22	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.8650	0.020	2	110.8650	0.000	2	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8885	0.005	2	110.0770	5.426	18	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	105.3340	0.523	2	110.0770	5.426	18	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	111.7835	1.396	6	110.0770	5.426	18	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	H(C[5]C[5]2H)	109.7800	1.592	8	110.0770	5.426	18	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	111.1970	2.803	2	110.6612	3.002	4	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.1255	0.043	2	110.6612	3.002	4	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.4746	1.533	7	110.4746	2.351	7	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4635	0.011	2	110.4635	0.000	2	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6290	0.010	2	110.6290	0.000	2	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2{2|C<4>,2|O<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H){2|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4125	0.023	2	110.4125	0.001	2	110.6695	2.658	59	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7110	0.028	2	110.7110	0.001	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.5445	0.021	2	110.5445	0.000	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[5]C[5]2H)	110.9795	0.008	2	110.9348	0.003	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5]2H)	110.8900	0.018	2	110.9348	0.003	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7185	0.018	2	110.8032	0.010	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.8880	0.020	2	110.8032	0.010	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5665	2.187	2	110.5665	4.783	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	111.0590	0.089	2	111.0590	0.008	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.3525	0.028	2	111.3525	0.001	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){3|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.3430	0.031	2	111.3430	0.001	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]2H)	110.4895	0.042	2	110.6600	0.041	6	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	110.7452	0.199	4	110.6600	0.041	6	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.3780	0.025	4	110.3780	0.001	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.8470	0.000	1	110.7243	0.012	3	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6630	0.025	2	110.7243	0.012	3	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8498	0.281	5	110.8498	0.079	5	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.4350	0.008	2	110.4350	0.000	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.9995	0.021	2	110.9995	0.000	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6755	0.021	2	110.6755	0.000	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3500	4.446	2	110.3500	19.769	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{3|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6785	0.028	2	110.6785	0.001	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.4345	0.022	2	111.4345	0.000	2	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	110.5870	0.042	2	111.2880	16.787	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.9890	6.957	2	111.2880	16.787	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9393	0.110	4	110.9393	0.012	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1610	0.058	4	111.1610	0.003	4	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2{1|Zr<12>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]2H)	109.4760	0.000	1	109.4760	0.000	1	110.8282	1.338	63	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9350	0.023	2	110.9350	0.001	2	110.9350	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	H(C[5]C[5]2H)	110.2558	0.119	4	110.2558	0.014	4	110.2558	0.014	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.0083	1.856	4	110.0083	3.444	4	110.5546	0.951	16	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	111.0960	0.000	1	111.0960	0.000	1	110.5546	0.951	16	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.7465	0.015	2	110.7465	0.000	2	110.5546	0.951	16	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.3610	0.006	2	110.3610	0.000	2	110.5546	0.951	16	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.2373	0.027	4	110.7899	0.319	7	110.5546	0.951	16	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.1085	0.029	2	110.7899	0.319	7	110.5546	0.951	16	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.3630	0.000	1	110.7899	0.319	7	110.5546	0.951	16	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2740	0.106	2	110.2740	0.011	2	110.2740	0.011	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7970	0.048	2	110.7970	0.002	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9320	0.000	1	110.9320	0.000	1	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0584	0.237	7	111.0584	0.056	7	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2580	0.077	5	110.2580	0.006	5	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>}	H(C[5]C[5]2H)	110.9185	0.076	4	110.9185	0.006	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|F<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4794	0.090	7	110.4794	0.008	7	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.0700	0.812	2	109.0700	0.659	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H){3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.5743	0.113	4	110.5743	0.013	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H){3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.7240	0.000	1	110.7240	0.000	1	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1470	0.007	2	110.1470	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8388	0.052	4	110.8388	0.003	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3028	0.184	38	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3557	0.643	12	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2342	0.066	10	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.8040	2.589	2	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6263	0.133	14	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2580	0.201	35	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.0918	0.380	4	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3077	0.042	6	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2805	0.023	4	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.1050	1.208	233	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2850	0.360	288	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1630	0.011	2	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4625	0.046	2	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.0640	0.025	2	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.0427	0.912	23	110.2249	0.626	675	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3377	0.055	4	110.3224	0.003	16	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.2949	0.049	8	110.3224	0.003	16	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3623	0.020	4	110.3224	0.003	16	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.6415	0.025	2	110.6415	0.001	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1693	0.063	3	110.1693	0.004	3	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2823	0.032	6	110.2823	0.001	6	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3040	0.103	6	110.3629	0.020	8	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5395	0.032	2	110.3629	0.020	8	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.3220	0.010	2	110.3220	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3355	0.033	2	110.2460	0.011	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.1565	0.021	2	110.2460	0.011	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.5025	0.069	2	110.6469	2.311	9	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.9739	1.587	7	110.6469	2.311	9	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	109.9237	0.694	6	109.9237	0.481	6	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3750	0.018	2	110.3750	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.8095	0.776	2	110.6639	0.234	10	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3663	0.082	4	110.6639	0.234	10	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.3600	0.021	2	110.6639	0.234	10	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|N<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4175	0.009	2	110.6639	0.234	10	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	110.5990	0.016	2	110.5115	0.006	6	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4677	0.046	4	110.5115	0.006	6	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.5010	0.000	1	109.5320	5.841	3	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.0475	3.205	2	109.5320	5.841	3	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.1833	0.096	3	110.3748	0.074	5	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6620	0.062	2	110.3748	0.074	5	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2736	0.123	12	110.2736	0.015	12	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	109.0733	1.005	4	110.3209	2.806	32	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7385	0.377	2	110.3209	2.806	32	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.1883	0.047	3	110.3209	2.806	32	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.9745	4.341	2	110.3209	2.806	32	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3546	0.084	14	110.3209	2.806	32	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.2978	3.322	6	110.3209	2.806	32	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2350	0.000	1	110.3209	2.806	32	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9865	0.197	4	110.9865	0.039	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3760	0.085	4	110.3760	0.007	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	111.1967	0.078	3	111.1830	0.004	5	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1625	0.029	2	111.1830	0.004	5	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4755	0.072	4	110.4755	0.005	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	109.9725	0.013	2	109.9725	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3570	0.016	2	110.3570	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7205	0.035	2	110.7205	0.001	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3342	0.023	4	110.3342	0.001	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.9527	0.056	3	109.9527	0.003	3	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	109.0310	0.124	2	109.0310	0.015	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.8360	0.027	2	110.8360	0.001	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.4995	0.011	2	110.4995	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6200	0.000	1	110.6200	0.000	1	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	H(C[5]C[5]2H)	109.5015	0.462	2	109.5015	0.213	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.4582	0.022	4	110.4582	0.000	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.7830	0.004	2	110.7830	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6265	0.028	2	110.6265	0.001	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5]2H)	111.2685	0.029	2	111.2685	0.001	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0153	0.103	3	110.8128	0.083	5	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5090	0.034	2	110.8128	0.083	5	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.3900	0.057	2	111.3900	0.003	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7163	0.032	3	110.7163	0.001	3	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0040	0.025	2	111.0040	0.001	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)2(H)2{2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.0355	0.022	4	110.0355	0.000	4	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.9305	0.016	2	110.9305	0.000	2	110.2811	0.649	907	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.4855	0.171	4	110.4855	0.029	4	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H){4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5240	0.000	1	110.5240	0.000	1	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.2293	0.034	4	110.2293	0.001	4	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.5730	0.044	4	110.5730	0.002	4	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.4207	0.138	9	110.4207	0.019	9	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5975	0.132	4	110.4483	0.031	34	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4216	0.185	26	110.4483	0.031	34	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.4728	0.058	4	110.4483	0.031	34	110.4411	0.028	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.2917	0.046	3	110.2652	0.002	5	110.2652	0.002	5	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.2255	0.013	2	110.2652	0.002	5	110.2652	0.002	5	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	111.5000	0.008	2	111.5000	0.000	2	111.5000	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.3290	0.040	2	110.3290	0.002	2	110.3290	0.002	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H){3|C<4>,3|O<2>,7|H<1>}	H(C[5]C[5]2H)	108.9625	0.139	2	108.9625	0.019	2	108.9625	0.019	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:B-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7415	0.026	2	110.7415	0.001	2	110.7415	0.001	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.9185	0.015	2	111.0353	0.012	6	110.6510	0.288	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0938	0.078	4	111.0353	0.012	6	110.6510	0.288	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.9265	0.028	2	110.9265	0.001	2	110.6510	0.288	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0020	0.061	2	110.0020	0.004	2	110.6510	0.288	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.8715	0.057	2	109.8715	0.003	2	110.6510	0.288	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(F)	H(C[5]C[5]2H)	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCHH)(F){4|H<1>}	H(C[5]C[5]2H)	108.4300	4.858	4	108.4300	23.597	4	108.4300	23.597	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H){1|B<3>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4580	0.010	2	110.4580	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7050	0.340	4	110.7050	0.115	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.3430	0.048	4	110.3430	0.002	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2075	0.052	2	111.2075	0.003	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4625	0.053	2	110.4625	0.003	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.8195	0.054	2	110.8195	0.003	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7655	0.022	2	110.7655	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.5645	0.018	2	110.5645	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.4235	0.156	4	110.4235	0.024	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.3700	0.010	2	110.3700	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3970	0.006	2	110.4952	0.013	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5935	0.008	2	110.4952	0.013	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5670	0.006	2	110.5670	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2H)	110.6107	0.112	4	110.6107	0.012	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5165	0.124	4	110.5165	0.015	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.6810	0.023	2	110.6810	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4125	0.107	4	110.4125	0.011	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(CHHN)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.5600	0.042	3	110.5600	0.002	3	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.6278	0.338	16	110.4161	0.085	53	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	110.4445	0.040	4	110.4161	0.085	53	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.3506	0.208	27	110.4161	0.085	53	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.1270	0.224	6	110.4161	0.085	53	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.4525	0.849	4	109.4525	0.721	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.0267	3.167	4	111.0267	10.028	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H){1|C<2>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	110.7600	0.025	2	110.7600	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.2400	0.478	2	110.2400	0.228	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.0770	0.146	6	110.5296	0.142	16	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.8011	0.083	10	110.5296	0.142	16	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8005	0.008	2	111.1915	1.297	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.5825	1.811	2	111.1915	1.297	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8477	0.646	6	110.8477	0.418	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.4635	1.221	2	110.4635	1.491	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4518	0.051	4	111.2247	1.727	10	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	112.3937	1.463	4	111.2247	1.727	10	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4325	0.006	2	111.2247	1.727	10	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.2817	1.288	6	110.7261	0.504	23	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9547	0.111	6	110.7261	0.504	23	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.5350	0.069	2	110.7261	0.504	23	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8604	0.355	7	110.7261	0.504	23	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.0945	0.021	2	110.7261	0.504	23	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8847	0.074	6	110.8847	0.005	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.6120	0.045	2	110.5396	1.958	24	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.8505	0.054	2	110.5396	1.958	24	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.4535	2.623	2	110.5396	1.958	24	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6483	1.294	10	110.5396	1.958	24	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	109.8385	2.608	4	110.5396	1.958	24	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8205	0.126	4	110.5396	1.958	24	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H){4|H<1>}	H(C[5]C[5]2H)	111.1535	0.084	4	111.1535	0.007	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9620	0.218	3	110.9620	0.047	3	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.3285	0.064	2	110.3285	0.004	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.0791	2.417	7	110.0791	5.842	7	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.8915	0.028	2	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7810	0.035	2	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9040	0.037	7	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7960	0.175	4	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.2705	0.392	4	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.8143	0.599	17	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0905	0.009	2	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.2480	0.016	2	110.8115	0.207	40	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.9327	0.151	4	110.9327	0.023	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6945	0.100	2	110.6945	0.010	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.3940	0.000	1	110.3940	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3215	0.006	2	110.5248	0.067	12	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5010	0.259	8	110.5248	0.067	12	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8235	0.028	2	110.5248	0.067	12	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.5720	0.006	2	110.5035	0.007	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4350	0.038	2	110.5035	0.007	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.5985	0.029	2	110.5985	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.7100	0.336	6	110.7100	0.113	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3980	0.086	4	110.6099	0.075	14	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6946	0.278	10	110.6099	0.075	14	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.2228	0.332	4	110.2228	0.110	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H){4|H<1>}	H(C[5]C[5]2H)	111.2370	0.004	2	111.2370	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	109.7340	0.000	1	109.7340	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H){4|H<1>}	H(C[5]C[5]2H)	111.1800	0.004	2	111.1800	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1440	0.206	5	110.2447	0.058	7	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4965	0.008	2	110.2447	0.058	7	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4635	0.033	2	110.4635	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4220	0.025	2	110.4220	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0767	0.094	3	110.8868	0.052	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6970	0.117	3	110.8868	0.052	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8030	0.017	2	110.8030	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.8745	0.018	2	110.8745	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.1885	0.040	2	111.1885	0.002	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9100	0.010	2	110.9100	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	H(C[5]C[5]2H)	110.7951	0.297	8	110.7951	0.088	8	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(CCCN)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.3563	2.307	4	111.2846	2.330	8	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCCN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCCN)(H){4|H<1>}	H(C[5]C[5]2H)	111.2130	0.320	4	111.2846	2.330	8	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7155	0.202	4	110.7155	0.041	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.7702	0.247	15	110.7702	0.061	15	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8470	3.137	2	110.6599	1.251	9	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6064	0.116	7	110.6599	1.251	9	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[5]HO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6400	0.043	3	110.6400	0.002	3	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.4260	0.069	3	110.4260	0.005	3	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[6a]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]2C)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.7360	0.246	4	110.7360	0.061	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[6a]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]CC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1625	5.286	2	111.1625	27.938	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[6a]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]CO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8969	0.348	7	110.8969	0.121	7	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CC[6a]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]HN)(H){4|H<1>}	H(C[5]C[5]2H)	110.7004	0.181	11	110.7004	0.033	11	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.8200	3.854	2	110.7827	1.189	25	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.6925	0.718	23	110.7827	1.189	25	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.8440	0.016	2	110.8440	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.6225	0.008	2	110.6225	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7695	0.026	2	110.7695	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2680	0.054	3	110.2680	0.003	3	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6450	0.021	2	110.6450	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<2>,3|H<1>}	H(C[5]C[5]2H)	111.2410	0.021	2	111.3817	0.027	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.5225	0.005	2	111.3817	0.027	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	109.6410	1.242	2	109.6410	1.542	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.1320	0.041	2	110.1320	0.002	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	112.4100	0.107	2	112.4100	0.012	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.5892	0.125	4	110.5892	0.016	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.6798	0.134	6	110.6798	0.018	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.4350	0.000	1	110.4350	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CC3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4838	0.186	8	110.4838	0.035	8	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.3880	0.000	1	110.3880	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0600	0.013	2	111.0600	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.7560	0.028	2	110.7039	0.007	8	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.6865	0.093	6	110.7039	0.007	8	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9947	0.124	3	110.9947	0.015	3	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	111.0301	1.290	9	111.0301	1.664	9	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H){4|H<1>}	H(C[5]C[5]2H)	111.2160	0.000	1	111.2160	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.9505	0.032	2	110.9505	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6262	0.211	6	110.6262	0.045	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.8985	0.005	2	110.8985	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H){2|C<4>}	H(C[5]C[5]2H)	111.0335	0.009	2	111.0335	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){2|C<4>}	H(C[5]C[5]2H)	110.8050	0.000	1	110.8050	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9485	0.549	2	110.9485	0.302	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	109.7220	0.049	2	109.7220	0.002	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.9922	0.176	13	110.9922	0.031	13	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9010	0.017	2	110.9010	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	111.0085	0.029	2	111.0085	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H){2|H<1>}	H(C[5]C[5]2H)	111.1330	0.000	1	111.1330	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H){2|H<1>}	H(C[5]C[5]2H)	111.3840	0.008	2	111.3840	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1695	0.050	2	111.1695	0.003	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8600	0.016	4	110.8600	0.000	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|H<1>,1|S<4>}	H(C[5]C[5]2H)	111.2750	0.013	2	111.2750	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.0145	0.009	2	110.0145	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4910	0.040	2	110.4910	0.002	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3900	0.037	2	110.3900	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.0000	0.000	1	110.0000	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.2965	0.008	2	110.2965	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.3380	0.024	2	110.3380	0.001	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.3673	0.132	3	110.3673	0.017	3	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)2(CC3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(CC3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7173	0.175	6	110.7173	0.031	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)2(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8380	0.024	2	111.2045	2.126	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)2(CCHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	111.5710	2.417	2	111.2045	2.126	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)2(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0180	0.475	2	110.0180	0.226	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	111.3130	0.007	2	111.3130	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]NiH)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]NiH)(C[5]C[5]HH)(CNiCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]NiH)(C[5]C[5]CH)(H)2{1|Ni<6>,2|H<1>}	C[5](C[5]C[5]NiH)(C[5]C[5]HH)(CNiCH)(H){1|Ni<5>,2|H<1>}	H(C[5]C[5]2H)	111.0155	0.016	2	111.0155	0.000	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6270	0.000	1	110.6270	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2H)	111.1088	0.298	4	111.1088	0.089	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	111.1128	0.069	4	111.1128	0.005	4	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.7715	0.049	2	110.7715	0.002	2	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.5113	0.200	6	110.5113	0.040	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.7590	0.000	1	110.7590	0.000	1	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	H(C[5]C[5]2H)	111.2578	0.175	6	111.2578	0.031	6	110.6970	0.562	602	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5]2H)	111.1590	0.000	1	111.1590	0.000	1	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5140	0.023	2	110.3380	0.042	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.1620	0.040	2	110.3380	0.042	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1132	1.176	4	110.1132	1.384	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.6472	0.202	4	110.6472	0.041	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]2H)	110.5897	0.981	6	110.5897	0.962	6	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.4125	0.008	2	110.5970	0.102	3	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.9660	0.000	1	110.5970	0.102	3	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2Ir)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2Ir)(C[5]C[5]HH)2(H){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.8798	0.222	4	110.8798	0.049	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H){1|N<4>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.6008	0.018	4	110.6771	0.008	8	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H){4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7535	0.052	4	110.6771	0.008	8	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.9470	0.006	2	110.9470	0.000	2	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	111.0307	0.172	4	111.0307	0.029	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H){1|N<4>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.9635	0.136	4	110.9635	0.018	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	H(C[5]C[5]2H)	111.0730	0.161	4	111.0730	0.026	4	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.3440	0.074	2	110.3828	0.014	5	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4087	0.152	3	110.3828	0.014	5	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	111.3685	0.004	2	111.3685	0.000	2	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.3930	0.000	1	111.3930	0.000	1	110.7147	0.282	56	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5]2H)	111.4240	0.000	1	111.4240	0.000	1	110.9711	0.095	11	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H){1|Si<4>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.4250	0.024	2	110.4250	0.001	2	110.9711	0.095	11	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[5]2H)	111.0510	0.117	8	111.0510	0.014	8	110.9711	0.095	11	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Ge-4:H-1:	C[5]-4:	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(GeClHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(GeClHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.8967	0.110	4	110.8967	0.012	4	110.8967	0.012	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NRhHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(NRhHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9372	0.122	4	110.9372	0.015	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9390	0.043	3	110.9180	0.003	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8550	0.000	1	110.9180	0.003	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.9300	0.429	4	110.9300	0.184	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.4720	0.011	2	110.4720	0.000	2	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.3625	2.406	2	110.3380	2.677	6	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.7935	0.013	2	110.3380	2.677	6	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8580	2.176	2	110.3380	2.677	6	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.7255	0.321	4	110.7255	0.103	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.0042	0.511	4	110.0042	0.261	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	H(C[5]C[5]2H)	111.1586	0.086	5	111.1586	0.007	5	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.3985	0.885	2	110.3985	0.783	2	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NAl2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NAl2H)(H){4|H<1>}	H(C[5]C[5]2H)	110.3637	0.055	4	110.3637	0.003	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NC[6a]AlLi)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NC[6a]AlLi)(H){4|H<1>}	H(C[5]C[5]2H)	110.6432	0.235	4	110.6432	0.055	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NH3)(H){4|H<1>}	H(C[5]C[5]2H)	111.0118	0.360	29	111.0118	0.130	29	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(NRhHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(NRhHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2150	0.090	4	110.2150	0.008	4	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1980	0.066	2	111.1980	0.004	2	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H){4|H<1>}	H(C[5]C[5]2H)	109.4796	0.024	5	109.4796	0.001	5	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|Pd<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H){3|H<1>}	H(C[5]C[5]2H)	110.7170	0.017	2	110.7170	0.000	2	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2{3|H<1>,5|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.7245	0.008	2	110.7245	0.000	2	110.6957	0.426	87	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.6813	0.127	6	110.6813	0.016	6	110.6813	0.016	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]HH)2(OZn3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(OZn3)(H){4|H<1>}	H(C[5]C[5]2H)	111.0207	0.158	13	111.0207	0.025	13	111.0207	0.025	13	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H)	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2{2|C<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6355	0.064	2	110.6355	0.004	2	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H){4|H<1>}	H(C[5]C[5]2H)	110.9755	0.028	2	110.9755	0.001	2	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H){4|H<1>}	H(C[5]C[5]2H)	110.8225	0.076	2	110.8225	0.006	2	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]2Co)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]2Co)(H){4|H<1>}	H(C[5]C[5]2H)	110.9015	0.283	17	110.9015	0.080	17	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]2Cu)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]2Cu)(H){4|H<1>}	H(C[5]C[5]2H)	110.8502	0.233	25	110.8502	0.054	25	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]2Ni)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]2Ni)(H){4|H<1>}	H(C[5]C[5]2H)	110.9369	0.303	43	110.9369	0.092	43	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]2Pt)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]2Pt)(H){4|H<1>}	H(C[5]C[5]2H)	110.8520	0.303	21	110.8520	0.092	21	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H){4|H<1>}	H(C[5]C[5]2H)	110.9771	0.683	127	110.9771	0.467	127	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]BH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]BH)(H){4|H<1>}	H(C[5]C[5]2H)	110.9541	0.230	7	110.9541	0.053	7	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]CO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]CO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7689	0.242	8	110.7689	0.059	8	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]CW)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]CW)(H){4|H<1>}	H(C[5]C[5]2H)	110.8051	0.413	14	110.8051	0.171	14	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]NiN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]NiN)(H){4|H<1>}	H(C[5]C[5]2H)	110.8779	0.165	13	110.8779	0.027	13	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]PdC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]PdC)(H){4|H<1>}	H(C[5]C[5]2H)	110.7455	0.269	15	110.7455	0.073	15	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]PdO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[5]PdO)(H){4|H<1>}	H(C[5]C[5]2H)	110.9336	0.277	7	110.9336	0.077	7	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PO3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PO3)(H){4|H<1>}	H(C[5]C[5]2H)	110.7798	0.234	4	110.7798	0.055	4	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.9480	0.000	1	110.9480	0.000	1	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1680	0.020	2	111.1680	0.000	2	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]RuH)(C[5]C[5]HP)(H)2	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]RuH)(C[5]C[5]HP)(H)2{3|H<1>}	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H){2|H<1>}	H(C[5]C[5]2H)	111.4801	0.047	7	111.4801	0.002	7	110.9265	0.241	317	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H){1|B<4>,3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.3055	0.364	2	110.3055	0.133	2	110.3055	0.133	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[5a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC[5a]OO)(H){4|H<1>}	H(C[5]C[5]2H)	111.0725	0.052	4	111.0725	0.003	4	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.7612	0.141	19	110.8513	0.068	26	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.1910	0.393	5	110.8513	0.068	26	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|S<2>,3|H<1>}	H(C[5]C[5]2H)	110.8580	0.021	2	110.8513	0.068	26	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.3910	0.000	1	111.3910	0.000	1	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.0352	0.142	5	111.0352	0.020	5	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8685	0.012	2	110.8685	0.000	2	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9427	0.224	6	110.9427	0.050	6	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)2(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|S<2>,3|H<1>}	H(C[5]C[5]2H)	110.6595	0.025	2	110.6595	0.001	2	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.6982	0.134	16	110.6982	0.018	16	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	111.4300	0.025	2	111.4300	0.001	2	110.8708	0.065	64	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Br<1>,3|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	H(C[5]C[5]2H)	110.8305	0.015	2	110.8305	0.000	2	110.8055	0.001	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	H(C[5]C[5]2H)	110.7805	0.015	2	110.7805	0.000	2	110.8055	0.001	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(SiC[5]OO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SiC[5]OO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6369	0.217	8	110.6369	0.047	8	110.6067	0.101	85	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(SiO3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	H(C[5]C[5]2H)	110.6036	0.327	77	110.6036	0.107	77	110.6067	0.101	85	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6270	0.016	2	110.6270	0.000	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.4520	0.055	4	110.4520	0.003	4	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	110.5036	0.948	7	110.5036	0.898	7	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.7360	0.014	2	110.7360	0.000	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.6105	0.023	2	110.6105	0.001	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6750	0.211	3	110.6750	0.044	3	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.3012	0.023	6	110.3012	0.001	6	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.2113	0.777	4	110.6760	0.197	25	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.9002	0.163	9	110.6760	0.197	25	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5263	0.175	10	110.6760	0.197	25	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2H)	111.3450	0.021	2	110.6760	0.197	25	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H){4|H<1>}	H(C[5]C[5]2H)	111.3555	1.104	2	111.3555	1.218	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.7777	0.275	4	110.7777	0.076	4	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1615	0.029	2	109.9243	4.191	6	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	109.8058	2.632	4	109.9243	4.191	6	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4945	1.118	2	110.7914	0.221	8	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.8903	0.113	6	110.7914	0.221	8	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.6637	0.226	6	110.6637	0.051	6	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.1890	0.048	2	110.1890	0.002	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.4438	0.095	6	110.4438	0.009	6	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.8515	0.022	2	110.8515	0.000	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.2000	0.000	1	110.2000	0.000	1	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	108.6900	0.356	2	108.6900	0.127	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	109.9095	0.435	2	109.9095	0.189	2	110.5200	0.532	92	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Al<5>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.7590	0.181	22	110.7590	0.033	22	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Co<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6280	0.004	2	110.6280	0.000	2	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<5>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6360	1.062	8	110.6562	0.211	44	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6393	0.181	29	110.6562	0.211	44	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<7>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.7494	0.172	7	110.6562	0.211	44	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mg<5>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.2632	0.238	4	111.2632	0.057	4	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mn<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.6822	0.195	17	110.6822	0.038	17	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mo<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.8487	0.411	7	110.8487	0.169	7	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|N<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.5180	0.033	6	110.5180	0.001	6	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|N<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H){1|C<5>,2|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.7177	0.089	3	110.7177	0.008	3	110.7112	0.128	105	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H){4|H<1>}	H(C[5]C[5]2H)	110.4945	2.111	2	110.4945	4.455	2	110.2901	1.857	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	109.9002	1.548	4	109.9002	2.397	4	110.2901	1.857	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H){4|H<1>}	H(C[5]C[5]2H)	110.8655	0.036	2	110.8655	0.001	2	110.2901	1.857	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H){4|H<1>}	H(C[5]C[5]2H)	110.0530	0.533	2	110.0530	0.284	2	109.8335	0.311	43	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.5550	0.095	4	109.5550	0.009	4	109.8335	0.311	43	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<5>,2|C<4>}	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.7046	0.513	8	109.8517	0.343	37	109.8335	0.311	43	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<6>,2|C<4>}	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.8923	0.606	29	109.8517	0.343	37	109.8335	0.311	43	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H){6|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.9587	0.219	4	110.9587	0.048	4	110.2960	0.197	20	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.0749	0.337	12	110.0749	0.113	12	110.2960	0.197	20	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|P<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2H)	110.2965	0.027	4	110.2965	0.001	4	110.2960	0.197	20	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H){4|H<1>}	H(C[5]C[5]2H)	110.1585	0.066	2	110.1585	0.004	2	110.0567	0.033	3	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2{1|C<4>,2|O<1>}	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.8530	0.000	1	109.8530	0.000	1	110.0567	0.033	3	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.8175	0.023	2	110.8175	0.001	2	110.9356	0.033	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H){1|N<3>,2|N<2>,5|H<1>}	H(C[5]C[5]2H)	111.0238	0.251	4	111.0238	0.063	4	110.9356	0.033	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7350	0.007	2	110.7350	0.000	2	110.9356	0.033	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	111.0067	0.079	4	111.0067	0.006	4	110.9356	0.033	12	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.4557	0.078	4	110.4557	0.006	4	110.4358	0.005	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3960	0.016	2	110.3960	0.000	2	110.4358	0.005	6	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,3|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.5480	0.004	2	110.5480	0.000	2	110.5480	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.6090	0.093	2	110.6090	0.009	2	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,3|H<1>}	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.9352	0.201	4	110.9352	0.040	4	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.3661	0.125	8	110.3661	0.016	8	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	111.0355	0.047	2	111.0355	0.002	2	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.6480	0.345	7	110.6480	0.119	7	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.7346	0.251	10	110.7346	0.063	10	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.6915	0.025	2	110.6915	0.001	2	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]FeH)(C[5]C[5]HH)(CC[5]CC)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]FeH)(C[5]C[5]HH)(CC[5]CC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7190	0.092	10	110.7190	0.008	10	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.7224	0.146	11	110.7224	0.021	11	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.6206	0.134	8	110.6206	0.018	8	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mn<6>,1|C<4>,2|H<1>}	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.6287	0.168	3	110.6287	0.028	3	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mo<6>,3|H<1>}	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	H(C[5]C[5]2H)	110.7940	0.274	4	110.7940	0.075	4	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.5335	0.022	2	110.5335	0.000	2	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.2967	0.245	12	110.2967	0.060	12	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<5>,3|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	H(C[5]C[5]2H)	110.5930	0.006	2	110.5930	0.000	2	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(C[5]C[5]2H)	110.6383	0.130	3	110.6383	0.017	3	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<8>,3|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	H(C[5]C[5]2H)	109.9988	0.626	4	109.9988	0.391	4	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H){4|H<1>}	H(C[5]C[5]2H)	110.2940	0.794	4	110.2940	0.631	4	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2H)	110.8245	0.266	8	110.8245	0.071	8	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(CC[6a]2O)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,3|H<1>}	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	H(C[5]C[5]2H)	110.7140	0.298	8	110.7140	0.089	8	110.6105	0.110	114	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](PC[6a]C[5]H)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](PC[6a]C[5]H)(C[5]C[5]HH)2(H){4|H<1>}	H(C[5]C[5]2H)	111.0430	0.400	7	111.0430	0.160	7	110.9901	0.121	20	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	C[5](PC[6a]C[5]Pd)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	C[5](PC[6a]C[5]Pd)(C[5]C[5]HH)2(H){4|H<1>}	H(C[5]C[5]2H)	110.9616	0.329	13	110.9616	0.108	13	110.9901	0.121	20	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1430	0.290	6	110.1430	0.084	6	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.9711	0.473	15	109.9711	0.224	15	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0950	0.307	24	110.1031	0.087	31	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.1310	0.270	7	110.1031	0.087	31	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Se<1>,1|H<1>,2|C<4>}	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1421	0.291	8	110.1421	0.085	8	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.0143	0.259	7	110.0143	0.067	7	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3028	0.351	4	109.9920	0.167	8	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.6813	0.090	4	109.9920	0.167	8	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.6960	0.000	1	109.2632	0.562	5	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.1550	0.819	4	109.2632	0.562	5	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1633	0.118	14	110.1633	0.014	14	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.6145	0.627	21	109.6145	0.393	21	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.3421	0.296	7	109.3421	0.088	7	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2643	0.280	90	110.2643	0.078	90	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.1198	0.306	66	110.0981	0.092	81	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<7>,1|H<1>,2|C<4>}	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0776	0.251	8	110.0981	0.092	81	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<8>,1|H<1>,2|C<4>}	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.9174	0.314	7	110.0981	0.092	81	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Se<1>,1|H<1>,2|C<4>}	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.4644	0.209	8	109.4644	0.044	8	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5]C[5]2H)	110.0395	0.503	4	110.0395	0.253	4	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<1>,1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.4032	0.095	4	110.4032	0.009	4	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3821	0.181	7	110.3821	0.033	7	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.5499	0.486	7	109.5499	0.236	7	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0733	0.414	6	110.0312	0.100	14	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.9996	0.247	8	110.0312	0.100	14	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0583	0.507	6	110.0583	0.257	6	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1532	0.303	8	109.9306	0.247	12	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.4853	0.544	4	109.9306	0.247	12	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2793	0.277	7	110.2793	0.077	7	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3195	0.081	4	110.5246	0.054	8	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.7297	0.088	4	110.5246	0.054	8	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.1655	0.026	2	110.1655	0.001	2	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1978	0.240	32	110.2067	0.049	40	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2420	0.131	8	110.2067	0.049	40	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0925	0.547	11	110.1224	0.255	13	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<3>}	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2870	0.041	2	110.1224	0.255	13	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1549	0.357	125	110.1549	0.128	125	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2365	0.250	11	110.2365	0.063	11	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.2917	0.177	34	110.2733	0.046	38	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1165	0.431	4	110.2733	0.046	38	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1550	0.310	109	110.1550	0.096	109	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.1676	0.170	7	109.9746	0.165	11	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|S<1>,2|H<1>}	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.6370	0.505	4	109.9746	0.165	11	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<6>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.8943	0.384	21	109.8943	0.148	21	110.1115	0.146	740	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H)	H(C[5]C[5]2H)	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2{3|O<2>,4|H<1>}	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H){2|Si<4>,4|H<1>}	H(C[5]C[5]2H)	110.6487	0.234	11	110.6487	0.055	11	110.6487	0.055	11	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C-4:O-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	H(C[5]C[5]N[5]H)	110.7375	0.049	4	110.7375	0.002	4	110.7375	0.002	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H){4|H<1>}	H(C[5]C[5]N[5]H)	109.4576	0.037	8	109.4576	0.001	8	109.4576	0.001	8	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(S[5]C[5,5]OO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]CH)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5]S[5]H)	111.6140	3.810	2	111.6140	14.515	2	111.6140	14.515	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H){1|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	113.6175	0.853	2	113.6175	0.728	2	113.6175	0.728	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2{1|B<4>,1|H<1>,2|O<2>,3|C<4>}	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	110.7520	0.049	2	110.7520	0.002	2	110.7520	0.002	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	110.6420	0.045	2	110.6420	0.002	2	110.6420	0.002	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	110.9050	0.007	2	110.9050	0.000	2	110.7932	0.066	5	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	110.5275	0.045	2	110.7187	0.111	3	110.7932	0.066	5	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	111.1010	0.000	1	110.7187	0.111	3	110.7932	0.066	5	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HN)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H){3|H<1>}	H(C[5]C[5]N[5]H)	112.2140	0.018	2	112.2140	0.000	2	112.2140	0.000	2	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<1>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<1>,6|C<3>}	H(C[5]C[5]P[5]H)	111.1490	0.004	2	111.2528	0.014	4	111.2528	0.014	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<2>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<2>,6|C<3>}	H(C[5]C[5]P[5]H)	111.3565	0.006	2	111.2528	0.014	4	111.2528	0.014	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[5,5]C[6a]2)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,5]C[6a]2)(C[5]C[5,5]CH)(H)2{2|B<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	H(C[5]C[5]P[5]H)	110.3247	0.095	3	110.3247	0.009	3	110.3247	0.009	3	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	110.5600	0.007	2	110.5600	0.000	2	110.6395	0.009	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H){1|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	110.7190	0.014	2	110.7190	0.000	2	110.6395	0.009	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|B<3>,1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,2|C<3>}	H(C[5]C[5]P[5]H)	111.0408	0.213	4	111.0408	0.045	4	111.0408	0.045	4	110.4920	0.574	3953	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2{2|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	110.9200	0.016	2	110.9200	0.000	2	110.9200	0.000	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.5032	0.480	8	110.5032	0.231	8	110.5032	0.231	8	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.8590	0.000	2	110.8170	0.001	6	110.8170	0.001	6	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	110.7960	0.006	4	110.8170	0.001	6	110.8170	0.001	6	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH){2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]H)	110.8510	1.955	4	110.8510	3.822	4	110.7568	1.455	9	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7795	0.015	2	110.6814	0.028	5	110.7568	1.455	9	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6160	0.200	3	110.6814	0.028	5	110.7568	1.455	9	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.9830	0.089	6	110.9830	0.008	6	110.6173	1.064	34	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	111.1037	0.141	4	111.1037	0.020	4	110.6173	1.064	34	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,5]HH)2(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)2(CH3)(OH){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6141	0.072	14	110.6141	0.005	14	110.6173	1.064	34	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.2165	2.122	8	110.2165	4.501	8	110.6173	1.064	34	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	110.1720	0.034	2	110.1720	0.001	2	110.6173	1.064	34	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.1920	0.006	2	110.2700	0.008	4	110.3345	0.031	17	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3480	0.006	2	110.2700	0.008	4	110.3345	0.031	17	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.3250	0.014	2	110.3250	0.000	2	110.3345	0.031	17	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.1940	0.026	3	110.1940	0.001	3	110.3345	0.031	17	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.2530	0.041	2	110.2530	0.002	2	110.3345	0.031	17	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6,6]C[5]H)	110.4782	0.226	6	110.4782	0.051	6	110.3345	0.031	17	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi){1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.8045	0.039	2	110.8045	0.002	2	110.8722	0.007	6	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.9060	0.085	4	110.9060	0.007	4	110.8722	0.007	6	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|O<2>}	H(C[5]C[5,6]C[5]H)	110.2820	0.021	2	110.2820	0.000	2	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3280	0.000	1	110.2044	0.020	20	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.1030	0.083	4	110.2044	0.020	20	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.4510	0.000	1	110.2044	0.020	20	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.3388	0.069	6	110.2044	0.020	20	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.1079	0.074	8	110.2044	0.020	20	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.4250	0.019	3	110.4250	0.000	3	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.2490	0.103	3	110.1396	0.012	10	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.0760	0.000	1	110.1396	0.012	10	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	110.0955	0.088	6	110.1396	0.012	10	110.2092	0.020	35	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.1520	0.010	2	110.1520	0.000	2	110.1520	0.000	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]2Br)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2Br)	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.1560	0.017	2	110.1560	0.000	2	110.1560	0.000	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4740	1.589	8	110.4740	2.526	8	110.4052	1.345	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.5205	0.016	2	109.5205	0.000	2	110.4052	1.345	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5023	0.409	4	110.5023	0.168	4	110.4052	1.345	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.8205	0.025	2	110.8205	0.001	2	110.4052	1.345	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	H(C[5]C[5]2H)	111.0774	0.082	5	111.0774	0.007	5	111.0774	0.007	5	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1453	0.171	4	110.1453	0.029	4	110.1453	0.029	4	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2{2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	111.2475	0.023	2	111.2475	0.001	2	111.2475	0.001	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2H)	110.9650	0.010	2	110.9650	0.000	2	110.9650	0.000	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.6935	0.006	2	110.6935	0.000	2	110.6935	0.000	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	111.3505	0.050	2	111.3505	0.003	2	110.8482	0.058	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]2H)	110.7706	0.126	10	110.7706	0.016	10	110.8482	0.058	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5]2H)	110.5965	0.016	2	110.5965	0.000	2	110.8482	0.058	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.9860	0.007	2	110.9860	0.000	2	110.8482	0.058	16	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC){2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.1815	0.070	2	110.1815	0.005	2	110.1815	0.005	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(CC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(CC){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.3855	0.025	2	110.3855	0.001	2	110.3855	0.001	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	109.9160	0.010	2	109.9160	0.000	2	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.0660	0.035	2	110.0660	0.001	2	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.9000	0.000	1	109.9000	0.000	1	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2175	0.025	2	110.2175	0.001	2	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	109.9133	1.180	4	109.9133	1.392	4	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.0915	0.016	2	110.0915	0.000	2	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2185	0.019	2	110.2185	0.000	2	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.2693	0.587	78	110.2693	0.345	78	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.0605	0.018	2	110.0605	0.000	2	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3142	0.093	11	110.3385	0.015	12	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.6060	0.000	1	110.3385	0.015	12	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8450	0.021	2	110.8450	0.000	2	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2H)	111.0230	0.000	1	111.0230	0.000	1	110.2589	0.306	110	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CN){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2825	0.064	2	110.2825	0.004	2	110.2825	0.004	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.6570	0.028	2	110.6570	0.001	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8385	0.030	2	110.8385	0.001	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.7069	0.320	12	110.7069	0.102	12	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4767	0.088	4	110.4767	0.008	4	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.1282	0.213	6	110.1282	0.045	6	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3465	0.101	2	110.3465	0.010	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.2955	0.006	2	110.2955	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.5536	0.624	7	110.5536	0.389	7	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2H)	110.7570	0.034	2	110.7570	0.001	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.7759	0.117	7	110.8323	0.023	9	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	111.0300	0.006	2	110.8323	0.023	9	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	111.1380	0.011	2	111.1380	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(C[5]C[5]2H)	110.7060	0.007	2	110.7060	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.5177	0.036	6	110.5177	0.001	6	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(C[5]C[5]2H)	110.7020	0.049	2	109.8746	1.524	8	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){2|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.4295	0.023	2	109.8746	1.524	8	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.1835	1.502	4	109.8746	1.524	8	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.3808	0.311	4	110.2908	0.078	6	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.1110	0.034	2	110.2908	0.078	6	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3160	0.331	7	110.6138	0.124	25	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.8628	0.081	4	110.6138	0.124	25	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){4|H<1>}	H(C[5]C[5]2H)	110.7717	0.229	6	110.6138	0.124	25	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6314	0.380	8	110.6138	0.124	25	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(C[5]C[5]2H)	110.5030	0.017	2	110.5030	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH){4|H<1>}	H(C[5]C[5]2H)	110.5180	0.017	2	110.5180	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.6560	0.004	2	110.6560	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.3480	0.006	2	110.3480	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC){1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.8447	0.035	3	110.8447	0.001	3	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	110.7940	0.018	2	110.7940	0.000	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	110.2935	0.060	2	110.2935	0.004	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.0915	0.241	4	110.1356	0.053	5	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.3120	0.000	1	110.1356	0.053	5	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	110.3612	0.081	5	110.3612	0.007	5	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|S<4>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.2800	0.027	2	110.2800	0.001	2	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC){1|H<1>,1|N<3>}	H(C[5]C[5]2H)	110.7090	0.049	4	110.7090	0.002	4	110.5143	0.216	128	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH){4|H<1>,5|C<4>}	H(C[5]C[5]2H)	110.9340	0.014	2	110.9340	0.000	2	110.7454	0.044	9	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2H)	110.6916	0.207	7	110.6916	0.043	7	110.7454	0.044	9	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2O[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2O[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<2>,6|C<4>,8|H<1>}	H(C[5]C[5]2H)	110.7738	0.095	19	110.7738	0.009	19	110.6909	0.021	36	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2O[5])2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]2H)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5]2O[5])2(C[5]C[5]HH)(O[5]C[5]){2|O<2>,7|C<4>,9|H<1>}	H(C[5]C[5]2H)	110.5983	0.136	17	110.5983	0.019	17	110.6909	0.021	36	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:C-2:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)(CN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)(CN){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7765	0.113	4	110.7765	0.013	4	110.7765	0.013	4	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.7445	0.023	2	110.7445	0.001	2	110.7445	0.001	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2H)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8000	0.010	3	110.8000	0.000	3	110.8000	0.000	3	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){4|H<1>}	H(C[5]C[5]N[5]H)	111.0200	0.057	2	111.0200	0.003	2	111.0200	0.003	2	110.4783	0.340	469	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CH3)(COO)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]CC)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CH3)(COO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]H)	110.4390	0.013	2	110.4390	0.000	2	110.4390	0.000	2	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HH)(CH3)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HH)(CH3)(COO){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,5]C[5]H)	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.2155	0.064	2	110.2155	0.004	2	110.3162	0.011	6	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.4165	0.021	2	110.4165	0.000	2	110.3162	0.011	6	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[5]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	110.3165	0.105	2	110.3165	0.011	2	110.3162	0.011	6	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CH3)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CH3)(COO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	110.6045	0.026	2	110.6045	0.001	2	110.5304	0.024	10	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(CH3)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)2(CH3)(COO){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6585	0.075	4	110.6585	0.006	4	110.5304	0.024	10	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(CH3)(COO)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)2(CH3)(COO){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.3653	0.063	4	110.3653	0.004	4	110.5304	0.024	10	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO){2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	111.1345	0.026	2	111.1345	0.001	2	111.1345	0.001	2	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N-4:C-3:	C[5]-4:	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO){1|C<3>,1|F<1>,3|H<1>}	H(C[5]C[5]2H)	110.7670	0.031	2	110.7670	0.001	2	110.7670	0.001	2	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CH3)(COO){3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.7270	0.026	4	110.7270	0.001	4	110.5848	0.021	18	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7340	0.014	2	110.7340	0.000	2	110.5848	0.021	18	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	110.7550	0.011	2	110.7550	0.000	2	110.5848	0.021	18	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CCHH)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CCHH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4250	0.027	4	110.4250	0.001	4	110.5848	0.021	18	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5060	0.023	2	110.5060	0.001	2	110.5848	0.021	18	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4315	0.033	2	110.4315	0.001	2	110.5848	0.021	18	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(CCO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	110.5330	0.018	2	110.5330	0.000	2	110.5848	0.021	18	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.7435	0.019	2	110.7435	0.000	2	110.5767	0.017	6	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO){2|H<1>,3|C<3>}	H(C[5]C[5]2H)	110.4933	0.023	4	110.4933	0.001	4	110.5767	0.017	6	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-3:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH){2|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.6883	0.066	4	110.6883	0.004	4	110.6883	0.004	4	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]H)(C[5]C[5]HH)(NCC)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2{1|Zr<12>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]H)(C[5]C[5]HH)(NCC){1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5]2H)	109.5210	0.028	2	109.5210	0.001	2	109.5210	0.001	2	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CCO){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.6265	0.117	8	110.6265	0.014	8	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CH3)(CHO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|Re<7>,1|C<4>,1|H<1>}	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CH3)(CHO){1|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.6815	0.411	2	111.6815	0.169	2	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CH3)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.4370	0.025	2	110.4370	0.001	2	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(CNO){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5820	0.149	4	110.5820	0.022	4	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5667	0.718	23	110.5667	0.515	23	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.5245	0.028	2	110.5245	0.001	2	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(CCO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(CCO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.6520	0.000	1	110.6520	0.000	1	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.7780	0.004	2	110.7780	0.000	2	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.5560	0.067	5	110.5560	0.005	5	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	111.2285	0.244	2	111.2285	0.060	2	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO){1|H<1>,4|C<3>}	H(C[5]C[5]2H)	110.8895	0.045	2	110.8895	0.002	2	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC){1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.8820	0.000	1	110.8820	0.000	1	110.6624	0.285	54	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.0330	0.036	4	110.0330	0.001	4	110.6460	0.390	26	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NOO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NOO){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.2985	0.008	2	110.2985	0.000	2	110.6460	0.390	26	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH){4|H<1>}	H(C[5]C[5]2H)	110.9175	0.077	2	110.9175	0.006	2	110.6460	0.390	26	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CHHO)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CHHO)(NCH){4|H<1>}	H(C[5]C[5]2H)	110.7030	0.268	8	110.7030	0.072	8	110.6460	0.390	26	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.1455	0.011	2	111.1455	0.000	2	110.6460	0.390	26	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH){1|C<4>,1|O<2>}	H(C[5]C[5]2H)	111.0810	0.961	6	111.0810	0.924	6	110.6460	0.390	26	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS){2|H<1>}	H(C[5]C[5]2H)	109.9155	0.005	2	109.9155	0.000	2	110.6460	0.390	26	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.8243	2.224	4	110.8243	4.946	4	110.6636	5.678	8	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5030	2.870	4	110.5030	8.235	4	110.6636	5.678	8	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(NCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(NCHH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.7685	0.153	4	110.7685	0.023	4	110.8048	0.051	11	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(NH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(NH3)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5553	0.116	3	110.5553	0.013	3	110.8048	0.051	11	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2	C[5](C[5]C[5]HH)2(NH3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)2(NH3)(COO){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	111.0282	0.089	4	111.0282	0.008	4	110.8048	0.051	11	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:P-4:C-3:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(PC[6a]3)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(PC[6a]3)(COO){4|H<1>}	H(C[5]C[5]2H)	111.0938	0.382	4	111.0938	0.146	4	111.0938	0.146	4	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4105	0.272	4	110.4105	0.074	4	110.6471	0.098	12	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.8067	0.309	6	110.8067	0.095	6	110.6471	0.098	12	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO){4|H<1>}	H(C[5]C[5]2H)	110.6415	0.029	2	110.6415	0.001	2	110.6471	0.098	12	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Co<6>,3|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHO)(COO){4|H<1>}	H(C[5]C[5]2H)	111.0570	0.010	2	111.0570	0.000	2	110.7754	0.024	10	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHOO)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Co<6>,3|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHOO)(COO){4|H<1>}	H(C[5]C[5]2H)	110.7580	0.023	2	110.7580	0.001	2	110.7754	0.024	10	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CH3)(CNO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CH3)(CNO){4|H<1>}	H(C[5]C[5]2H)	110.7385	0.021	2	110.7385	0.000	2	110.7754	0.024	10	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CC[6a]HH)(COO)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,3|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	H(C[5]C[5]2H)	110.6617	0.042	4	110.6617	0.002	4	110.7754	0.024	10	110.6469	0.412	178	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	B[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)2	C[5](C[5]B[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(C[5]B[5,5]C[5]H)	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]B[5,5]C[5]H)	110.2820	0.014	2	110.2820	0.000	2	110.2820	0.000	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]S[3]H)(C[5]C[5]CS)(H)2	C[5](C[5]C[3,5]HH)2(SC[6a]OO)(CH3)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]S[3]H)(C[5]C[5]CS)(H)2{1|O<1>,3|H<1>}	C[5](C[5]C[3,5]HH)2(SC[6a]OO)(CH3){1|S<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.2057	0.051	4	111.2057	0.003	4	111.2057	0.003	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2	C[5](C[5]C[3,5]HH)2(SC[6a]OO)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[3,5]HH)2(SC[6a]OO)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.3692	0.048	4	110.3692	0.002	4	110.4274	0.005	8	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]SS)(H)2	C[5](C[5]C[3,5]HH)2(SC[6a]OO)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]SS)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[3,5]HH)2(SC[6a]OO)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.4855	0.025	4	110.4855	0.001	4	110.4274	0.005	8	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(CH3)2	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	110.5520	0.612	2	110.5520	0.375	2	110.5520	0.375	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	110.4905	0.053	2	110.4905	0.003	2	110.4905	0.003	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	110.1210	0.031	2	110.1210	0.001	2	110.1210	0.001	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.7285	0.005	2	110.7510	0.002	3	110.6871	0.004	9	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	110.7960	0.000	1	110.7510	0.002	3	110.6871	0.004	9	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6680	0.042	4	110.6552	0.001	6	110.6871	0.004	9	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	110.6295	0.011	2	110.6552	0.001	6	110.6871	0.004	9	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.6520	0.006	2	110.6520	0.000	2	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)2(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5623	0.032	4	110.5623	0.001	4	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)2(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)2(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	110.5635	0.062	4	110.5635	0.004	4	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]H)	110.7890	0.000	1	110.7890	0.000	1	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3){3|C<3>}	H(C[5]C[5,5]C[5]H)	110.6755	0.078	2	110.6755	0.006	2	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2{1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	109.9750	0.011	2	110.1475	0.040	4	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]H)	110.3200	0.017	2	110.1475	0.040	4	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|S<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,5]C[5]H)	110.4925	0.036	2	110.7198	0.070	4	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	110.9470	0.027	2	110.7198	0.070	4	110.5436	0.061	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.5910	0.000	1	110.6463	0.002	3	110.6463	0.002	3	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6740	0.018	2	110.6463	0.002	3	110.6463	0.002	3	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(CH3)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	110.6085	0.660	2	110.6085	0.435	2	110.7896	1.459	22	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.9910	2.261	4	110.8692	2.443	12	110.7896	1.459	22	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.8083	1.279	8	110.8692	2.443	12	110.7896	1.459	22	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6,6]HH)2(CH3)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6400	1.595	2	110.7155	0.450	8	110.7896	1.459	22	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6,6]HH)2(CH3)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.6790	0.007	2	110.7155	0.450	8	110.7896	1.459	22	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6,6]HH)2(CH3)2	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	110.7715	0.439	4	110.7155	0.450	8	110.7896	1.459	22	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.0520	0.031	2	110.0894	0.009	8	110.0894	0.009	8	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.1075	0.137	4	110.0894	0.009	8	110.0894	0.009	8	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	110.0905	0.046	2	110.0894	0.009	8	110.0894	0.009	8	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	109.7398	0.106	4	109.7398	0.011	4	109.9602	0.123	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4010	0.008	2	110.4010	0.000	2	109.9602	0.123	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	110.2463	0.019	3	110.2463	0.000	3	110.5226	0.247	7	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	110.3185	0.006	2	110.3185	0.000	2	110.5226	0.247	7	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	111.1410	0.636	2	111.1410	0.405	2	110.5226	0.247	7	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.3370	1.103	2	111.3370	1.217	2	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.8000	0.035	2	110.7212	1.134	22	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.2492	0.636	6	110.7212	1.134	22	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	109.7385	2.689	2	110.7212	1.134	22	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	111.1078	0.928	12	110.7212	1.134	22	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.2750	0.068	2	110.2750	0.005	2	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.4390	2.581	4	110.6504	3.511	8	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.8618	1.187	4	110.6504	3.511	8	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	109.7060	0.004	2	109.7060	0.000	2	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.5540	0.112	2	110.5540	0.012	2	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3797	1.628	6	110.4619	1.104	28	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.7355	1.064	6	110.4619	1.104	28	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.6412	0.073	4	110.4619	1.104	28	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	110.4365	1.167	2	110.4619	1.104	28	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.2804	0.976	10	110.4619	1.104	28	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.7550	0.000	1	110.7550	0.000	1	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	110.4580	0.010	2	111.0673	5.746	4	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	111.6765	3.969	2	111.0673	5.746	4	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(CH3)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2{1|H<1>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	110.3630	0.000	2	110.3630	0.000	2	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,6]HH)2(CHHO)2{2|H<1>,2|S<2>}	H(C[5]C[5,6]C[5]H)	110.4913	0.525	4	110.4913	0.276	4	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	109.9215	0.046	4	109.9215	0.002	4	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,6]C[5]H)	110.8464	0.124	8	110.5275	0.513	10	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	109.2520	0.663	2	110.5275	0.513	10	110.5541	1.207	91	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:S-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2	C[5](C[5]C[5,6]HH)2(SC[6a]OO)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	110.2473	0.560	16	110.2473	0.314	16	110.2473	0.314	16	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2{1|Si<4>,1|N<2>,3|C<4>,4|H<1>}	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<2>,3|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]BrH)(CH3)2	H(C[5]C[5]2Br)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2Br)	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5,6]CC)(C[5]C[5,6]CC)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]CC)(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,5|C<4>}	H(C[5]C[5]2H)	109.9595	0.049	2	109.9595	0.002	2	109.9595	0.002	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	109.4900	0.017	2	109.4900	0.000	2	109.7025	0.028	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.7993	0.032	3	109.8088	0.001	4	109.7025	0.028	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	109.8370	0.000	1	109.8088	0.001	4	109.7025	0.028	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<4>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.7107	0.095	4	110.7107	0.009	4	110.7107	0.009	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(C[5]N[5]CC)(H)2	C[5](C[4,5]B[4]C[4]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CC)(C[5]N[5]CC)(H)2{1|B<3>,2|C<3>}	C[5](C[4,5]B[4]C[4]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	110.1255	0.008	2	110.1255	0.000	2	110.1255	0.000	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	109.7245	4.034	2	109.7245	16.274	2	109.8966	2.572	11	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO){2|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.1480	3.004	2	110.1480	9.023	2	109.8966	2.572	11	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CC)(H)2	C[5](C[5,5]N[5,5]B[5]C)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CC)(H)2{1|B<3>,1|C<3>,1|C<4>}	C[5](C[5,5]N[5,5]B[5]C)(C[5]C[5]HH)(CH3)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	109.9545	0.015	2	109.9545	0.000	2	109.8966	2.572	11	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]CC)(H)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]CC)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.2500	0.000	1	110.2500	0.000	1	109.8966	2.572	11	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)2(H)2	C[5](C[5,5]C[5,5]C[5]Sc)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)2(H)2{1|Sc<9>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Sc)(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<4>}	H(C[5]C[5]2H)	109.7398	0.044	4	109.7398	0.002	4	109.8966	2.572	11	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O[5]C)(C[5]C[5]HH)(CCHO)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O[5]C)(C[5]C[5]HH)(CCHO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.0790	0.046	3	110.0790	0.002	3	110.0790	0.002	3	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5,6]CC)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]CC)(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	109.9080	0.006	2	109.9080	0.000	2	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CH3)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3137	0.130	3	110.3137	0.017	3	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3){3|H<1>,4|C<4>}	H(C[5]C[5]2H)	110.0855	0.013	2	110.0855	0.000	2	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.3617	0.019	3	110.3617	0.000	3	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.8130	0.104	4	110.8130	0.011	4	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.1550	0.031	2	110.1550	0.001	2	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.0930	0.016	2	110.0930	0.000	2	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2{1|Si<3>,1|C<3>,1|H<1>}	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.0160	0.000	1	110.0160	0.000	1	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0750	0.066	2	110.0750	0.004	2	110.2822	0.092	21	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.6407	0.246	4	110.6407	0.060	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5790	0.007	2	110.5790	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.6508	0.276	4	110.6508	0.076	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3130	0.000	1	110.3130	0.000	1	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CCCH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCCH)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4085	0.099	4	110.4085	0.010	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.3912	0.128	4	110.4947	0.033	18	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5415	0.230	4	110.4947	0.033	18	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5162	0.191	9	110.4947	0.033	18	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.5280	0.000	1	110.4947	0.033	18	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.4310	0.000	1	110.4310	0.000	1	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO){1|O<2>,3|H<1>}	H(C[5]C[5]2H)	110.2080	0.014	2	110.2080	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.2602	0.616	6	110.2602	0.380	6	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.5775	0.099	4	110.5775	0.010	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.7126	0.131	7	110.7126	0.017	7	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	110.4800	0.023	2	110.4800	0.001	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.9090	0.017	2	110.9090	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.0410	0.033	2	110.0410	0.001	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	109.3565	0.595	2	109.3565	0.354	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH){4|H<1>}	H(C[5]C[5]2H)	110.4310	0.010	2	110.4310	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2H)	110.5267	0.120	4	110.5267	0.014	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2{4|H<1>}	H(C[5]C[5]2H)	110.5960	0.000	1	110.5960	0.000	1	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2H)	110.9785	3.050	2	110.9785	9.301	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCCH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)2(CCCH)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2H)	110.4283	0.063	3	110.4283	0.004	3	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CCHH)(CHHN){4|H<1>}	H(C[5]C[5]2H)	110.4307	0.216	12	110.4307	0.047	12	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.6647	0.989	4	109.6647	0.979	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(CHHO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(CHHO)2{4|H<1>}	H(C[5]C[5]2H)	110.6020	0.171	4	110.6020	0.029	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	110.0135	0.110	2	110.0135	0.012	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.3390	0.035	4	110.3390	0.001	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	110.3725	0.046	2	110.3725	0.002	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|B<3>,1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3){1|B<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.5350	0.025	2	110.5350	0.001	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	110.4690	0.010	2	110.4657	0.000	3	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.4590	0.000	1	110.4657	0.000	3	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	110.5786	0.241	11	110.6239	0.061	13	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	110.8730	0.016	2	110.6239	0.061	13	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[5]2N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>}	C[5](C[5]B[5]2N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,4|O<2>}	H(C[5]C[5]2H)	110.0520	0.028	6	110.0520	0.001	6	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,1|H<1>}	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2{1|B<3>,1|C<3>,3|C<4>}	H(C[5]C[5]2H)	110.2520	0.023	2	110.1643	0.011	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,1|H<1>}	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	110.0765	0.040	2	110.1643	0.011	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[5a]2N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>}	C[5](C[5]B[5a]2N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,4|O<2>}	H(C[5]C[5]2H)	110.0560	0.000	1	110.0560	0.000	1	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]B[6]2N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>}	C[5](C[5]B[6]2N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,4|O<2>}	H(C[5]C[5]2H)	110.1675	0.013	2	110.1675	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1645	0.018	2	110.1745	0.002	6	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1740	0.069	2	110.1745	0.002	6	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<5>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{3|C<4>}	H(C[5]C[5]2H)	110.1850	0.061	2	110.1745	0.002	6	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0800	0.000	1	110.1773	0.005	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1720	0.000	1	110.1773	0.005	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{3|C<4>}	H(C[5]C[5]2H)	110.2285	0.008	2	110.1773	0.005	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1490	0.000	1	110.1490	0.000	1	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2307	0.014	3	110.2307	0.000	3	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|P<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1870	0.000	1	110.1870	0.000	1	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	H(C[5]C[5]2H)	110.1342	0.093	5	110.1342	0.009	5	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2{1|N<2>,1|N<3>,3|C<4>}	H(C[5]C[5]2H)	110.2595	0.008	2	110.2595	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5]2H)	110.0965	0.012	2	110.0965	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<3>,1|C<3>,1|H<1>}	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CCHH)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.0715	0.006	2	110.0715	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<4>,1|C<3>,1|H<1>}	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1115	0.008	2	110.1115	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,1|H<1>}	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.2387	0.070	14	110.2387	0.005	14	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5]NiC)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ni<5>,1|C<3>,1|C<4>}	C[5](C[5]N[5]NiC)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1385	0.029	2	110.1385	0.001	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>,1|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1178	0.095	4	110.1125	0.004	8	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	110.1072	0.027	4	110.1125	0.004	8	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	110.0130	0.082	2	110.0130	0.007	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	110.6315	0.143	8	110.6023	0.042	11	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.9310	0.000	1	110.6023	0.042	11	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.3210	0.034	2	110.6023	0.042	11	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	110.7650	0.102	4	110.7650	0.010	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.8885	2.241	2	110.8885	5.021	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	110.6907	0.046	4	110.6907	0.002	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.2565	0.016	2	110.2565	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	109.9490	0.021	2	109.9490	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	C[5](C[5]C[5]HH)2(CHHN)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)2(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	110.3445	0.019	2	110.3445	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	110.9018	2.867	4	110.9018	8.220	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	109.8922	0.037	5	109.8922	0.001	5	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2{2|C<3>}	H(C[5]C[5]2H)	110.6688	0.073	4	110.6688	0.005	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	110.2605	0.026	2	110.2605	0.001	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)2(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	110.5828	0.243	5	110.5828	0.059	5	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	110.2455	0.050	4	110.2455	0.002	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.6800	0.020	2	110.6800	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO){1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.7987	0.153	4	110.7987	0.024	4	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	110.7305	0.006	2	110.7305	0.000	2	110.3924	0.274	245	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|C<3>,3|H<1>}	H(C[5]C[5]2H)	110.4665	0.028	2	110.6202	0.030	6	110.6202	0.030	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.6970	0.161	4	110.6202	0.030	6	110.6202	0.030	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2H)	110.5470	1.133	4	110.5470	1.283	4	110.5470	1.283	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3){1|Br<1>,2|C<4>,7|H<1>}	H(C[5]C[5]2H)	110.1510	0.041	2	110.1510	0.002	2	110.1510	0.002	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdHH)(CH3){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5047	0.134	3	110.5047	0.018	3	110.4915	0.038	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiHH)(CH3){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.3405	0.191	4	110.3405	0.037	4	110.4915	0.038	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(CH3){1|N<4>,3|H<1>}	H(C[5]C[5]2H)	110.2960	0.074	2	110.2960	0.005	2	110.4915	0.038	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnHH)(CH3)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnHH)(CH3){1|N<3>,3|H<1>}	H(C[5]C[5]2H)	110.5784	0.177	11	110.5784	0.031	11	110.4915	0.038	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2	C[5](C[5]C[5]HH)2(SC[6a]OO)2	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(SC[6a]OO)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	110.5665	0.013	2	110.5665	0.000	2	110.5665	0.000	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	H(C[5]C[5]2H)	110.9020	0.033	2	110.9020	0.001	2	110.9020	0.001	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:P-4:P-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(PO3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(PO3)2{4|H<1>}	H(C[5]C[5]2H)	111.1302	0.194	6	111.1302	0.038	6	111.1302	0.038	6	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Ge[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	112.2853	5.968	4	112.2853	35.612	4	112.2853	35.612	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|H<1>,2|C<4>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.8430	0.000	1	109.8430	0.000	1	109.8252	0.000	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|C<4>,2|H<1>}	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.8193	0.022	3	109.8193	0.000	3	109.8252	0.000	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2{1|Ir<8>,3|H<1>,4|C<3>}	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	111.2840	2.939	2	111.2840	8.636	2	111.2840	8.636	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.7483	0.034	3	109.7483	0.001	3	109.7483	0.001	3	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.4599	0.337	8	109.4599	0.114	8	109.3837	0.039	51	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	109.3047	0.057	4	109.3047	0.003	4	109.3837	0.039	51	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	109.2665	0.051	8	109.2665	0.003	8	109.3837	0.039	51	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.2650	0.058	4	109.2650	0.003	4	109.3837	0.039	51	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.2592	0.143	9	109.2592	0.020	9	109.3837	0.039	51	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.4060	0.067	4	109.4060	0.004	4	109.3837	0.039	51	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|C<3>}	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	109.5371	0.130	14	109.5371	0.017	14	109.3837	0.039	51	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.2865	0.106	4	109.2865	0.011	4	109.2865	0.011	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2{5|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.5360	0.283	4	109.5360	0.080	4	109.5360	0.080	4	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.2070	0.054	4	109.2070	0.003	4	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.2225	0.011	2	110.0929	5.190	10	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	H(C[5]C[5]2H)	110.3105	2.530	8	110.0929	5.190	10	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.5485	0.033	2	109.5485	0.001	2	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<2>,2|Si<4>}	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.5415	0.258	4	109.4955	0.052	24	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{2|Cl<1>,3|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.4235	0.199	4	109.4955	0.052	24	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>,2|I<1>}	H(C[5]C[5]2H)	109.3798	0.106	12	109.4955	0.052	24	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{4|Si<4>}	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,4|Cl<1>,2|H<1>}	H(C[5]C[5]2H)	109.8690	0.027	4	109.4955	0.052	24	109.6187	1.313	40	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2{2|Si<4>,1|C<3>,1|N<3>}	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	109.4850	0.040	2	109.4850	0.002	2	109.5392	0.020	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.4293	0.041	3	109.4293	0.002	3	109.5392	0.020	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.4507	0.178	4	109.4507	0.032	4	109.5392	0.020	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	109.4843	0.121	4	109.4843	0.015	4	109.5392	0.020	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,2|S<2>}	H(C[5]C[5]2H)	109.6837	0.035	7	109.6837	0.001	7	109.5392	0.020	20	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	109.5530	0.021	3	109.5530	0.000	3	109.5978	0.019	18	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<3>}	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	109.6867	0.038	7	109.6867	0.001	7	109.5978	0.019	18	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>,1|O<2>}	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	109.3773	0.065	4	109.3773	0.004	4	109.5978	0.019	18	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	109.6963	0.031	4	109.6963	0.001	4	109.5978	0.019	18	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.4125	0.082	4	109.4125	0.007	4	109.4679	0.031	34	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,3|Si<4>}	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.5786	0.156	16	109.5786	0.024	16	109.4679	0.031	34	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|H<1>,1|N<3>}	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.3877	0.076	4	109.3877	0.006	4	109.4679	0.031	34	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|O<1>,1|O<2>}	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.4560	0.034	2	109.4560	0.001	2	109.4679	0.031	34	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|H<1>}	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.1695	0.018	4	109.1695	0.000	4	109.4679	0.031	34	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|O<2>}	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	H(C[5]C[5]2H)	109.4652	0.063	4	109.4652	0.004	4	109.4679	0.031	34	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2	C[5](C[5]B[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	C[5](C[5]B[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	109.6890	0.007	2	109.6890	0.000	2	109.6890	0.000	2	110.2134	0.809	729	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	4:4:5:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-5:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(SiO3V)(H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(SiO3V)(H){4|H<1>}	H(C[5]C[5]2H)	110.5920	0.192	7	110.5920	0.037	7	110.5920	0.037	7	110.5920	0.037	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:3:4:4:	4:	C[5]-4:C[5,6]-4:H-1:H-1:	C[3,3,6]-5:N[5]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)	H(C[5]C[5,6]C[5]H)	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>,2|O<3>}	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	110.6485	0.011	4	110.6485	0.000	4	110.6485	0.000	4	110.6485	0.000	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2{5|B<6>}	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	H(C[5]C[5]2H)	111.5595	0.039	2	111.5595	0.002	2	110.7855	0.799	4	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2{1|B<5>,4|B<6>}	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	H(C[5]C[5]2H)	110.0115	0.019	2	110.0115	0.000	2	110.7855	0.799	4	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,3x5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,3x5,3x6]HH)2(H)2	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6]Ni)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,3x5,3x6]HH)2(H)2{1|Ni<7>,4|B<6>}	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6]Ni)(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,4|B<6>,4|H<1>}	H(C[5]C[5]2H)	110.9047	0.056	3	110.9047	0.003	3	110.9047	0.003	3	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2	C[5](C[3,4,5,3x6]B[4x3,4,5,5,5x6]B[3x3,5,5x6]C[4,4,5,4x6]Ni)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2{1|Ni<8>,2|B<5>,2|B<6>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,5x6]B[3x3,5,5x6]C[4,4,5,4x6]Ni)(C[5]C[5]HH)(H)2{2|B<5>,3|B<6>,4|H<1>}	H(C[5]C[5]2H)	110.6810	0.023	2	110.6810	0.001	2	110.7352	0.003	13	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Co)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|Co<11>,4|B<6>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Co)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[5]2H)	110.7354	0.051	8	110.7354	0.003	8	110.7352	0.003	13	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|Ru<12>,4|B<6>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Ru)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[5]2H)	110.7710	0.034	3	110.7710	0.001	3	110.7352	0.003	13	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x3,3x5,11x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2{1|B<7>,2|B<5>,2|B<6>}	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,3|B<6>,5|H<1>}	H(C[5]C[5]2H)	110.5855	0.008	2	110.5855	0.000	2	110.5855	0.000	2	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x3,3x5,4x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,3x5,4x6]HH)2(H)2	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x3,3x5,4x6]HH)2(H)2{5|B<6>}	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2{1|Sn<6>,1|B<7>,4|B<6>,5|H<1>}	H(C[5]C[5]2H)	110.4095	0.282	4	110.4095	0.080	4	110.4095	0.080	4	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x3,4,5,5,9x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2{1|B<5>,4|B<6>}	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	H(C[5]C[5]2H)	109.9850	0.013	2	109.9850	0.000	2	109.9850	0.000	2	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x3,4x5,5x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,4x5,5x6]HH)2(H)2	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x3,4x5,5x6]HH)2(H)2{5|B<6>}	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,4|B<6>,5|H<1>}	H(C[5]C[5]2H)	109.9935	0.051	4	109.9935	0.003	4	109.9935	0.003	4	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x3,5,5,8x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2{1|B<7>,2|B<5>,2|B<6>}	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2{2|B<5>,4|B<6>,5|H<1>}	H(C[5]C[5]2H)	110.5130	0.006	2	110.5130	0.000	2	110.5130	0.000	2	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x3,5x5,13x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,5x5,13x6]HH)2(H)2	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x3,5x5,13x6]HH)2(H)2{5|B<6>}	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	H(C[5]C[5]2H)	110.4815	0.059	2	110.4815	0.003	2	110.4815	0.003	2	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,4,5,4x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2	C[5](C[4,4,5,4x6]B[3,3,4,4,5,5x6]C[3,4,5,3x6]B[3,4,3x6]Ni)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2{1|Ni<8>,2|B<5>,2|B<6>}	C[5](C[4,4,5,4x6]B[3,3,4,4,5,5x6]C[3,4,5,3x6]B[3,4,3x6]Ni)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[5]2H)	110.7180	0.007	2	110.7180	0.000	2	110.7180	0.000	2	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]B[6]Cr2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|Cr<11>,2|B<5>}	C[5](C[5,6]C[5,6]B[6]Cr2)(C[5]C[5]HH)(H)2{2|B<5>,3|H<1>}	H(C[5]C[5]2H)	105.3225	11.160	4	105.3225	124.538	4	105.3225	124.538	4	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ce<12>,2|H<1>}	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.7360	0.000	1	110.7360	0.000	1	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]O[5]HHU)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<14>,2|H<1>}	C[5](C[5]O[5]HHU)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.9540	0.010	2	110.9540	0.000	2	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]O[5]HHY)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<13>,2|H<1>}	C[5](C[5]O[5]HHY)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.1440	0.013	2	111.1440	0.000	2	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<15>,2|H<1>}	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.3320	0.033	2	110.6635	0.149	4	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<19>,2|H<1>}	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.9950	0.075	2	110.6635	0.149	4	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<14>,2|H<1>}	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.2315	0.033	2	111.2265	0.022	4	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<8>,2|H<1>}	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	111.2215	0.254	2	111.2265	0.022	4	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]Li2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Li<3>,1|Li<4>,1|H<2>,2|H<1>}	C[5](C[5]C[5]Li2H)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	110.7107	0.130	6	110.7107	0.017	6	110.8819	0.089	19	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	5:4:1:1:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ScSi)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]ScHH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ScSi)(C[5]C[5]HH)(H)2{3|H<1>}	C[5](C[5]C[5]ScHH)(C[5]N[5]HH)(H)2{1|Si<5>,1|H<1>}	H(C[5]C[5]N[5]H)	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.3281	8.022	62	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	6:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x3,4x5,12x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2{1|Ir<9>,5|B<6>}	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(C[5]C[5]HH)(H)2{5|B<6>,5|H<1>}	H(C[5]C[5]2H)	110.0932	0.036	4	110.0932	0.001	4	110.0932	0.001	4	109.9347	0.082	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	6:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2{1|Ir<9>,5|B<6>}	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2{1|Ir<9>,4|B<6>,6|H<1>}	H(C[5]C[5]2H)	110.1565	0.061	4	110.1565	0.004	4	110.1565	0.004	4	109.9347	0.082	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	6:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2{6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|B<3>,5|B<6>,5|H<1>}	H(C[5]C[5]2H)	109.6070	0.013	2	109.5545	0.005	4	109.5545	0.005	4	109.9347	0.082	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	6:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2{6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{5|B<6>,6|H<1>}	H(C[5]C[5]2H)	109.5020	0.059	2	109.5545	0.005	4	109.5545	0.005	4	109.9347	0.082	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	6:4:2:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|B<6>,8|H<1>}	H(C[5]C[5]2H)	110.8782	0.114	4	110.8782	0.013	4	110.8782	0.013	4	110.8782	0.013	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:1:1:	6:4:4:1:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2{2|C<3>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H){1|C<3>,1|O<1>,4|H<1>,5|B<6>}	H(C[5]C[5]P[5]H)	109.1880	0.025	2	109.1880	0.001	2	109.1880	0.001	2	109.1880	0.001	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	2:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.8063	0.520	12	110.8063	0.270	12	110.8063	0.270	12	110.8063	0.270	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H){6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	108.9044	1.493	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H){6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5]2C)	107.4120	0.000	1	107.4120	0.000	1	107.8655	0.411	2	108.9044	1.493	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H){4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.3190	0.000	1	108.3190	0.000	1	107.8655	0.411	2	108.9044	1.493	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	110.1320	0.000	1	109.6875	0.395	2	109.6875	0.395	2	108.9044	1.493	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.2430	0.000	1	109.6875	0.395	2	109.6875	0.395	2	108.9044	1.493	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)2(OH)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	H(C[5]C[5]2O)	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	108.9044	1.493	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2O)	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	108.9044	1.493	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5])	H(C[5]C[5]2C)	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H){6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5]){6|C<3>,6|H<1>}	H(C[5]C[5]2C)	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	111.9720	13.233	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	H(C[5]C[5]2O)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5]2O)	112.7375	4.791	2	112.7375	22.950	2	112.7375	22.950	2	111.9720	13.233	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H)	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O)	H(C[5]C[5]2O)	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O){4|C<3>,6|H<1>}	H(C[5]C[5]2O)	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5,6]-4:C[5]-4:S-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2	H(C[5]C[5,5,6]C[5]S)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]S)	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H){1|N<2>,1|N<3>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2{2|N<2>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]O)	106.2160	0.000	1	106.2160	0.000	1	107.8283	2.017	3	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5,6]C[5]O)	108.3750	0.000	1	108.6345	0.135	2	107.8283	2.017	3	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5,6]C[5]O)	108.8940	0.000	1	108.6345	0.135	2	107.8283	2.017	3	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	109.4060	0.000	1	109.4060	0.000	1	108.7304	0.189	5	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	108.7145	0.258	2	108.7145	0.067	2	108.7304	0.189	5	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	108.5250	0.000	1	108.5250	0.000	1	108.7304	0.189	5	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]C)	108.2920	0.000	1	108.2920	0.000	1	108.7304	0.189	5	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]O[5]C)	111.9050	2.362	3	111.9050	5.577	3	111.9050	5.577	3	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]C)	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,5|C<4>}	H(C[5]C[5]2O)	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|C<5>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.1960	0.000	1	111.1960	0.000	1	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.3060	0.000	1	109.7493	2.608	3	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	108.9710	1.257	2	109.7493	2.608	3	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.1607	1.948	3	110.8772	2.070	11	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.5209	0.370	8	110.8772	2.070	11	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.5370	0.000	1	111.5370	0.000	1	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)2(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.3130	0.013	2	111.3130	0.000	2	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(OC[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)2(OC[6a])(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.7550	4.357	2	112.7550	18.985	2	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.5810	0.255	2	109.5810	0.065	2	110.8604	2.862	22	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.4720	0.000	1	110.4720	0.000	1	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2O)	110.5463	0.936	3	110.3732	2.294	8	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.1345	2.763	2	110.3732	2.294	8	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.9250	0.000	1	110.3732	2.294	8	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	111.1180	0.000	1	110.3732	2.294	8	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	112.0350	0.000	1	110.3732	2.294	8	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	114.2450	0.000	1	114.2450	0.000	1	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.9620	0.351	2	110.9620	0.123	2	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.2795	0.247	2	111.2795	0.061	2	110.8704	2.317	14	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5]2O)	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H){1|S<2>,2|C<3>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2O)	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2O)	110.5930	0.000	1	110.5930	0.000	1	110.7050	0.736	6	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2O)	111.2323	0.319	3	110.6968	1.215	4	110.7050	0.736	6	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2O)	109.0900	0.000	1	110.6968	1.215	4	110.7050	0.736	6	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.8500	0.000	1	110.8500	0.000	1	110.7050	0.736	6	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H)	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,2|C<3>}	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.3190	0.000	1	110.3190	0.000	1	109.9320	0.100	6	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2O)	109.4330	0.000	1	109.4330	0.000	1	109.9320	0.100	6	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.9600	0.181	4	109.9600	0.033	4	109.9320	0.100	6	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]HH)2(SS)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]N[5,5]HH)2(SS)(H){2|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]2S)	109.9140	0.118	4	109.9140	0.014	4	109.9140	0.014	4	110.3672	2.680	71	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	109.6720	0.000	1	110.1227	1.519	3	110.5360	1.696	4	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.3480	1.653	2	110.1227	1.519	3	110.5360	1.696	4	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	111.7760	0.000	1	111.7760	0.000	1	110.5360	1.696	4	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]O)	111.7000	1.206	2	111.7000	1.455	2	111.7000	1.455	2	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]O)	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	N[5]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]CH)(CN)(H){1|H<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	110.9775	0.098	2	110.9775	0.010	2	110.9775	0.010	2	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5,6]C[5]O)	112.2580	0.212	2	112.2580	0.045	2	112.1162	1.077	5	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5,6]C[5]O)	113.0120	0.000	1	113.0120	0.000	1	112.1162	1.077	5	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,6]C[5]O)	111.5265	1.651	2	111.5265	2.726	2	112.1162	1.077	5	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-2:H-1:	N[5,6]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H){2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2N[5])	108.9240	0.721	2	108.9240	0.520	2	108.9240	0.520	2	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5a]-3:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2O)	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.2310	0.000	1	111.2310	0.000	1	109.6523	3.554	4	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	109.0590	2.704	2	109.0590	7.311	2	109.6523	3.554	4	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	109.2600	0.000	1	109.2600	0.000	1	109.6523	3.554	4	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.5840	0.000	1	111.5840	0.000	1	111.2410	0.235	2	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H){1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.8980	0.000	1	110.8980	0.000	1	111.2410	0.235	2	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.9607	0.633	6	110.2490	0.803	10	110.2403	0.723	11	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5]2O)	110.1310	0.000	1	110.2490	0.803	10	110.2403	0.723	11	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.8650	1.336	3	110.2490	0.803	10	110.2403	0.723	11	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.1530	0.000	1	110.1530	0.000	1	110.2403	0.723	11	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	111.0220	0.000	1	111.2800	0.133	2	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2O)	111.5380	0.000	1	111.2800	0.133	2	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.5000	0.000	1	110.5000	0.000	1	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2O)	111.1490	0.000	1	111.4347	0.090	3	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	111.7460	0.000	1	111.4347	0.090	3	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	111.4090	0.000	1	111.4347	0.090	3	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	112.0640	0.000	1	112.0640	0.000	1	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.9025	0.190	2	111.9025	0.036	2	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	109.7530	0.000	1	110.6350	1.556	2	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	111.5170	0.000	1	110.6350	1.556	2	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.3227	2.458	3	109.0072	2.950	11	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[5]2O)	108.7020	0.000	1	109.0072	2.950	11	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	108.4870	1.306	7	109.0072	2.950	11	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.5825	0.879	4	110.5825	0.772	4	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.0918	1.565	4	111.0918	2.451	4	110.3426	2.639	30	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2O)	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.1043	0.022	3	111.6361	9.283	16	111.6361	9.283	16	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2O)	108.6830	0.000	1	111.6361	9.283	16	111.6361	9.283	16	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	H(C[5]C[5]2O)	111.3140	0.000	1	111.6361	9.283	16	111.6361	9.283	16	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.6170	4.268	8	111.6361	9.283	16	111.6361	9.283	16	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.6880	0.038	2	111.6361	9.283	16	111.6361	9.283	16	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.5560	0.000	1	111.6361	9.283	16	111.6361	9.283	16	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5]2O)	107.7020	0.000	1	107.7020	0.000	1	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H){1|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2O)	110.5210	0.000	1	110.5210	0.000	1	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]2O)	111.2760	0.000	1	111.2760	0.000	1	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	111.5840	1.942	5	111.5840	3.771	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	113.4470	0.000	1	113.4470	0.000	1	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	112.9110	0.000	1	112.6687	0.056	3	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	112.6560	0.000	1	112.6687	0.056	3	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.4390	0.000	1	112.6687	0.056	3	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.9590	0.000	1	110.9955	1.872	6	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	110.0327	1.370	3	110.9955	1.872	6	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	111.9580	0.204	2	110.9955	1.872	6	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.4020	0.000	1	110.3422	1.910	13	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	111.0918	1.862	5	110.3422	1.910	13	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	109.7407	0.367	3	110.3422	1.910	13	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	108.7500	0.000	1	110.3422	1.910	13	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2O)	110.2310	0.000	1	110.3422	1.910	13	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[5]C[5]2O)	109.6925	0.619	2	110.3422	1.910	13	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.8105	1.119	4	111.0256	1.170	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2O)	111.8860	0.000	1	111.0256	1.170	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.6337	1.326	3	111.4182	1.827	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.0950	1.855	2	111.4182	1.827	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	109.5560	0.000	1	109.5560	0.000	1	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5]2O)	109.9930	0.000	1	109.8336	0.151	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	109.8310	0.527	3	109.8336	0.151	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5]2O)	109.6820	0.000	1	109.8336	0.151	5	110.8561	2.211	47	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]2O)	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2O)	110.2498	1.810	5	110.2498	3.277	5	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5]2O)	112.2220	0.000	1	112.2220	0.000	1	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.9975	0.220	2	110.9975	0.048	2	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.5075	0.144	2	111.5499	1.020	10	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.7941	1.008	7	111.5499	1.020	10	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.9250	0.000	1	111.5499	1.020	10	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.1730	0.000	1	110.1730	0.000	1	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	109.2080	0.000	1	110.4597	1.113	4	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.1295	0.931	2	110.4597	1.113	4	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.3720	0.000	1	110.4597	1.113	4	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	111.5005	1.380	2	111.5005	1.903	2	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.8767	1.322	3	110.2188	1.220	12	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	H(C[5]C[5]2O)	110.8190	0.000	1	110.2188	1.220	12	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.5132	1.040	4	110.2188	1.220	12	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.7850	0.000	1	110.2188	1.220	12	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.7220	0.000	1	110.2188	1.220	12	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.8370	0.000	1	110.2188	1.220	12	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	109.7800	0.000	1	110.2188	1.220	12	110.7731	1.558	37	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2S)	110.9040	0.000	1	110.9040	0.000	1	108.9880	7.342	2	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2S)	107.0720	0.000	1	107.0720	0.000	1	108.9880	7.342	2	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:1:	4:	C[5]-4:S-4:N[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(SC[6a]OO)(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H)	H(C[5]C[5]N[5]S)	C[5](C[5]C[6a]O[5]H)(SC[6a]OO)(N[5]C[5])(H){1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H){1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]S)	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	110.7248	2.806	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	108.0410	2.817	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	109.9620	0.000	1	109.9620	0.000	1	108.4100	4.817	2	108.0410	2.817	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	106.8580	0.000	1	106.8580	0.000	1	108.4100	4.817	2	108.0410	2.817	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O[5])	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[3,5]C[5]O)	111.4800	0.501	2	111.4800	0.251	2	111.4800	0.251	2	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	H(C[5]C[5,5]C[5]O)	111.7160	0.000	1	111.7160	0.000	1	111.7160	0.000	1	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]O[5]C)	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.9770	0.000	1	109.9770	0.000	1	109.6300	0.759	3	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.6390	0.000	1	108.6390	0.000	1	109.6300	0.759	3	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.2740	0.000	1	110.2740	0.000	1	109.6300	0.759	3	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H){1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2C)	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.2045	0.586	2	110.2045	0.344	2	110.2045	0.344	2	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.6060	0.000	1	110.6060	0.000	1	111.2475	1.664	10	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	108.0810	0.000	1	108.0810	0.000	1	111.2475	1.664	10	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.7900	0.722	6	111.7900	0.522	6	111.2475	1.664	10	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.5240	0.074	2	111.5240	0.005	2	111.2475	1.664	10	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5]2O)	109.5870	0.303	2	109.5870	0.092	2	109.5870	0.092	2	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)2(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2O)	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	111.0130	0.000	1	111.0130	0.000	1	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.5640	0.000	1	110.5640	0.000	1	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	112.3230	0.474	2	112.3230	0.224	2	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2O)	112.4990	0.000	1	112.4990	0.000	1	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	109.4678	1.344	5	109.4678	1.806	5	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2O)	115.3830	0.000	1	115.3830	0.000	1	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	109.4470	0.000	1	110.5725	2.534	2	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2O)	111.6980	0.000	1	110.5725	2.534	2	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2O)	109.1560	0.000	1	109.1560	0.000	1	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	108.9690	0.000	1	108.9690	0.000	1	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2O)	111.4390	0.000	1	111.4390	0.000	1	110.7596	3.602	16	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2O)	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5]C[5]2O[5])	109.6840	0.000	1	109.6745	0.000	2	109.6745	0.000	2	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.6650	0.000	1	109.6745	0.000	2	109.6745	0.000	2	110.5841	2.141	44	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	H(C[5]C[5]2O)	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H){1|H<1>,1|N<3>,3|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2O[5])	107.0970	0.000	1	107.0970	0.000	1	107.0970	0.000	1	107.0970	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	H(C[5]C[5]2S)	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H)	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]O)	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H){1|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.3195	1.496	2	110.3195	2.237	2	110.3195	2.237	2	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){3|C<3>}	H(C[5]C[5]N[5]C)	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]C)	109.1340	0.731	2	109.1340	0.535	2	109.0600	0.284	3	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	108.9120	0.000	1	108.9120	0.000	1	109.0600	0.284	3	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H){4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2O)	111.8090	0.318	2	111.8090	0.101	2	110.8947	2.559	3	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	109.0660	0.000	1	109.0660	0.000	1	110.8947	2.559	3	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2O)	110.8985	0.206	2	110.8985	0.042	2	110.6148	2.351	10	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.9590	0.000	1	110.9590	0.000	1	110.6148	2.351	10	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5]2O)	110.8150	1.000	2	110.8150	1.000	2	110.6148	2.351	10	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	111.9720	0.000	1	111.9720	0.000	1	110.6148	2.351	10	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	108.9540	0.000	1	108.9540	0.000	1	110.6148	2.351	10	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	109.7390	3.615	2	109.7390	13.066	2	110.6148	2.351	10	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.3580	0.000	1	111.3580	0.000	1	110.6148	2.351	10	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	109.9180	0.000	1	109.9180	0.000	1	109.6667	1.353	12	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.4650	0.000	1	111.4650	0.000	1	109.6667	1.353	12	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.0550	2.029	2	110.0953	0.919	6	109.6667	1.353	12	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.1155	0.397	4	110.0953	0.919	6	109.6667	1.353	12	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	108.5112	0.427	4	108.5112	0.182	4	109.6667	1.353	12	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	110.1200	0.028	2	110.1200	0.001	2	110.1200	0.001	2	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2O)	108.1865	0.721	2	108.1865	0.519	2	109.2117	3.412	3	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H){2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5]2O)	111.2620	0.000	1	111.2620	0.000	1	109.2117	3.412	3	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2O)	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.1810	0.000	1	109.1810	0.000	1	109.5715	0.305	2	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.9620	0.000	1	109.9620	0.000	1	109.5715	0.305	2	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5]C[5]2O[5])	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	110.0841	2.936	46	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	H(C[5]C[5]2O)	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	109.8355	0.052	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])	H(C[5]C[5]2O[5])	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,2|C<3>,3|O<2>,4|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,1|S<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2O[5])	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.8355	0.052	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:4:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2{2|C<3>}	H(C[5]C[5]O[5]C)	108.3110	0.851	2	108.3110	0.725	2	108.3110	0.725	2	109.5480	1.887	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	109.5480	1.887	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2O)	110.9055	0.145	2	110.9055	0.021	2	110.9055	0.021	2	109.5480	1.887	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[3]C[5]O[5])	109.7925	4.600	2	110.1058	7.192	4	110.1058	7.192	4	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[3]C[5]O[5])	110.5350	0.000	1	110.1058	7.192	4	110.1058	7.192	4	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){2|C<3>,4|C<4>}	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[3]C[5]O[5])	110.3030	0.000	1	110.1058	7.192	4	110.1058	7.192	4	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[4,5]C[5]O)	110.6670	0.000	1	111.2670	0.720	2	111.2670	0.720	2	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<3>}	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[4,5]C[5]O)	111.8670	0.000	1	111.2670	0.720	2	111.2670	0.720	2	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[4]C[5]O[5])	106.3520	0.000	1	106.3520	0.000	1	110.1331	2.547	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[4]C[5]O[5])	109.9025	1.091	2	109.9025	1.190	2	110.1331	2.547	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[4]C[5]O[5])	111.3855	0.394	2	111.3855	0.155	2	110.1331	2.547	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[4]C[5]O[5])	109.9870	0.000	1	110.2265	0.115	2	110.1331	2.547	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[4]C[5]O[5])	110.4660	0.000	1	110.2265	0.115	2	110.1331	2.547	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[4]C[5]O[5])	110.9085	0.394	2	110.9085	0.155	2	110.1331	2.547	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2{4|C<4>}	H(C[5]C[5,5,6]C[5]O)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	110.4180	0.000	1	110.4180	0.000	1	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.4160	0.163	2	111.4160	0.026	2	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.6890	0.000	1	111.6890	0.000	1	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.7680	0.000	1	111.7680	0.000	1	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]O)	113.4810	0.000	1	113.4810	0.000	1	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O)	111.9320	0.000	1	111.9320	0.000	1	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.9570	0.000	1	112.2070	2.549	8	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.4100	1.791	6	112.2070	2.549	8	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	112.2390	0.000	1	112.2070	2.549	8	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.0185	1.350	2	109.7562	4.290	11	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.4757	2.156	9	109.7562	4.290	11	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.4760	0.000	1	111.4760	0.000	1	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.1530	0.426	2	112.1530	0.181	2	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.2935	0.077	2	112.2935	0.006	2	111.2085	3.443	31	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.6570	0.000	1	110.6570	0.000	1	110.5532	0.143	5	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]O)	110.3960	0.420	3	110.3960	0.176	3	110.5532	0.143	5	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]O)	110.9210	0.000	1	110.9210	0.000	1	110.5532	0.143	5	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	111.6540	0.000	1	111.6540	0.000	1	110.2787	2.002	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.2623	0.192	3	109.2623	0.037	3	110.2787	2.002	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.7840	0.000	1	109.7840	0.000	1	110.2787	2.002	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	112.4470	0.000	1	112.4470	0.000	1	110.2787	2.002	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]O)	109.3812	0.748	4	109.3812	0.559	4	109.3812	0.559	4	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]N[5]C)	110.3800	0.000	1	110.3800	0.000	1	109.1560	0.240	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]C)	108.9707	0.269	4	109.0030	0.034	8	109.1560	0.240	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<6>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<6>}	H(C[5]C[5]N[5]C)	109.0353	0.063	4	109.0030	0.034	8	109.1560	0.240	9	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.4830	0.000	1	110.4830	0.000	1	110.5585	0.101	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	110.4110	0.000	1	110.4110	0.000	1	110.5585	0.101	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	110.6103	0.483	3	110.6142	0.155	4	110.5585	0.101	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	110.6260	0.000	1	110.6142	0.155	4	110.5585	0.101	6	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2N)	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[5]C[5]2N[5])	108.8440	0.742	2	108.8440	0.551	2	108.8440	0.551	2	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	110.9600	0.000	1	110.9600	0.000	1	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	113.1000	0.000	1	113.1000	0.000	1	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]2O)	112.3280	0.000	1	112.3280	0.000	1	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2O)	111.2800	0.000	1	111.2800	0.000	1	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2O)	111.5917	0.271	3	111.5917	0.073	3	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	116.9200	0.000	1	113.9040	18.193	2	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.8880	0.000	1	113.9040	18.193	2	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	111.5010	0.000	1	111.8070	0.491	7	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.9840	0.071	2	111.8070	0.491	7	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.7317	1.169	3	111.8070	0.491	7	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	111.9850	0.000	1	111.8070	0.491	7	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.0640	0.769	2	111.0640	0.592	2	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.2900	0.000	1	111.2900	0.000	1	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	112.3690	0.000	1	111.2010	2.728	2	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.0330	0.000	1	111.2010	2.728	2	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]N[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	C[5](C[5]C[5]HO)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2O)	111.4420	0.000	1	111.4420	0.000	1	111.8255	1.843	22	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.3030	0.000	1	109.7850	0.465	2	110.4652	4.037	8	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.2670	0.000	1	109.7850	0.465	2	110.4652	4.037	8	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]2O)	109.9300	1.148	2	109.9300	1.319	2	110.4652	4.037	8	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	H(C[5]C[5]2O)	115.0050	0.000	1	115.0050	0.000	1	110.4652	4.037	8	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2O)	109.3650	0.000	1	109.3650	0.000	1	110.4652	4.037	8	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	111.1120	0.000	1	111.1120	0.000	1	110.4652	4.037	8	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(H)2	H(C[5]C[5]2O)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(H)2{2|C<4>}	H(C[5]C[5]2O)	108.8100	0.000	1	108.8100	0.000	1	110.4652	4.037	8	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.6640	0.000	1	109.6640	0.000	1	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.9810	0.000	1	109.9810	0.000	1	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]2O[5])	109.5233	0.523	3	109.5233	0.274	3	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.1910	0.173	4	110.7657	2.848	20	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.3480	0.000	1	110.7657	2.848	20	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	109.8580	0.000	1	110.7657	2.848	20	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.6763	2.025	12	110.7657	2.848	20	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.6140	1.950	2	110.7657	2.848	20	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.4750	0.000	1	111.4750	0.000	1	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	108.9630	0.000	1	109.8513	0.595	3	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.2955	0.076	2	109.8513	0.595	3	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.4350	0.000	1	109.4350	0.000	1	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.4075	0.080	2	109.4075	0.006	2	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<3>,4|C<4>}	H(C[5]C[5]2O[5])	108.8410	0.000	1	108.8410	0.000	1	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]2O[5])	108.8840	0.000	1	109.7737	0.834	3	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]2O[5])	110.2185	0.694	2	109.7737	0.834	3	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	110.4070	0.720	2	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.1240	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.3158	1.004	4	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	110.8670	0.095	2	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.0480	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	110.1930	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Cl<1>,1|N<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.1820	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	110.2640	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.9750	0.348	4	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2O[5])	109.1720	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.1364	0.536	27	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.5190	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.6683	0.477	3	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	109.6880	0.000	1	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.4125	1.237	4	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.5590	0.000	2	110.1314	0.540	56	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	H(C[5]C[5]2O[5])	110.2297	0.186	4	110.0307	0.128	6	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,2|C<4>,4|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	H(C[5]C[5]2O[5])	109.6325	0.250	2	110.0307	0.128	6	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(C[5]C[5]2O[5])	109.8140	0.000	1	109.8140	0.000	1	110.1851	1.049	99	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	109.8795	0.129	2	109.8795	0.017	2	110.1895	0.152	4	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]C[6]O[5])	110.4995	0.233	2	110.4995	0.054	2	110.1895	0.152	4	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]C[6]O[5])	109.7530	0.000	1	109.7530	0.000	1	110.1823	0.476	7	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]C[6]O[5])	110.4853	0.554	4	110.4853	0.307	4	110.1823	0.476	7	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]C[6]O[5])	110.5250	0.000	1	109.7910	1.078	2	110.1823	0.476	7	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]C[6]O[5])	109.0570	0.000	1	109.7910	1.078	2	110.1823	0.476	7	110.4485	1.988	220	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]O)	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	111.5990	0.000	1	111.5990	0.000	1	111.2767	1.662	3	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	112.3740	0.000	1	112.3740	0.000	1	111.2767	1.662	3	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.8570	0.000	1	109.8570	0.000	1	111.2767	1.662	3	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.1200	0.000	1	110.5220	0.323	2	110.5220	0.323	2	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.9240	0.000	1	110.5220	0.323	2	110.5220	0.323	2	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.5340	0.007	3	110.5340	0.000	3	110.5340	0.000	3	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.7730	0.000	1	109.7730	0.000	1	110.1061	5.726	17	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	114.4677	3.016	3	114.4677	9.096	3	110.1061	5.726	17	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.9360	0.000	1	108.9360	0.000	1	110.1061	5.726	17	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.1641	0.677	9	109.1641	0.459	9	110.1061	5.726	17	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.0490	0.008	2	109.0490	0.000	2	110.1061	5.726	17	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.1160	0.000	1	109.1160	0.000	1	110.1061	5.726	17	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	112.5870	0.000	1	112.5870	0.000	1	112.5870	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]2O[5])	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:S[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H)	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H){1|O<1>}	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	H(C[5]C[5]2S)	111.3930	0.000	1	111.3930	0.000	1	111.3930	0.000	1	110.5763	3.560	33	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	H(C[5]C[5]2O)	110.5660	0.000	1	110.5660	0.000	1	109.0860	1.606	12	109.0860	1.606	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.1100	0.897	3	109.7190	1.148	4	109.0860	1.606	12	109.0860	1.606	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	108.5460	0.000	1	109.7190	1.148	4	109.0860	1.606	12	109.0860	1.606	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:2:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.5129	1.164	7	108.5129	1.356	7	109.0860	1.606	12	109.0860	1.606	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.9130	0.000	1	109.9130	0.000	1	110.7130	0.747	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.7295	0.291	2	111.7295	0.084	2	110.7130	0.747	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.6660	0.000	1	110.6660	0.000	1	110.7130	0.747	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H){2|C<3>,2|O<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]O)	110.1200	0.486	2	110.1200	0.237	2	110.7130	0.747	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:N[6a]-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]O)	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	H(C[5]C[5]N[5]C)	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.9370	0.000	1	109.9370	0.000	1	110.0430	4.383	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.4140	0.000	1	110.4140	0.000	1	110.0430	4.383	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	113.4860	0.000	1	113.4860	0.000	1	110.0430	4.383	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.8230	0.000	1	109.8230	0.000	1	110.0430	4.383	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	108.2990	1.945	2	108.2990	3.781	2	110.0430	4.383	6	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]2O[5])	109.5080	0.000	1	109.5080	0.000	1	110.5945	2.361	2	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.6810	0.000	1	111.6810	0.000	1	110.5945	2.361	2	110.4294	2.301	16	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|N<3>}	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[4,5]C[5]O)	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]O)	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.8120	0.000	1	109.8120	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]O)	112.9330	0.000	1	112.9330	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.0700	0.000	1	112.0700	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]O)	112.5280	0.000	1	112.5280	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	110.9995	0.894	2	110.9995	0.800	2	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	112.0240	0.000	1	112.0240	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	110.9705	1.322	10	110.9705	1.749	10	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.5505	0.654	2	111.5034	0.398	10	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.4916	0.671	8	111.5034	0.398	10	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.7080	0.000	1	109.7080	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.7890	0.000	1	112.2383	0.330	3	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.9630	0.454	2	112.2383	0.330	3	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.6470	0.000	1	109.6470	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	110.5420	0.793	2	110.5420	0.629	2	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.3000	0.000	1	111.4721	0.749	7	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.3342	0.859	6	111.4721	0.749	7	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.9390	1.604	3	109.9390	2.573	3	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.5060	0.000	1	109.5060	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.9650	0.000	1	111.9650	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.2910	0.000	1	112.2910	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.4450	0.000	1	110.9198	2.542	10	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	110.2445	2.222	4	110.9198	2.542	10	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.7795	0.230	2	110.9198	2.542	10	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.7387	0.510	3	110.9198	2.542	10	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	112.8180	2.811	4	112.8180	7.901	4	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.8528	1.035	4	111.8528	1.071	4	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.3690	0.000	1	111.3690	0.000	1	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.0605	0.568	4	110.0605	0.323	4	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]O)	112.3175	0.354	2	112.3175	0.126	2	111.2676	1.840	72	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:S-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]S)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]S)	111.5000	0.573	2	111.5000	0.328	2	111.5000	0.328	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]N)	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.4150	0.000	1	109.4150	0.000	1	110.2510	1.398	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.0870	0.000	1	111.0870	0.000	1	110.2510	1.398	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]O[5])	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.0970	0.211	4	109.0970	0.044	4	109.0970	0.044	4	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2N)	117.6920	0.000	1	117.6920	0.000	1	114.4750	20.698	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2N)	111.2580	0.000	1	111.2580	0.000	1	114.4750	20.698	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	108.0870	0.000	1	108.0870	0.000	1	107.9533	0.050	3	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	107.8865	0.269	2	107.8865	0.073	2	107.9533	0.050	3	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	109.9060	0.580	2	109.9060	0.336	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.7130	0.000	1	111.7130	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.8300	0.000	1	110.8300	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.4300	0.000	1	110.4300	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.8270	0.000	1	109.8270	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	H(C[5]C[5]2O)	108.0490	0.272	2	108.0490	0.074	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	111.3270	0.000	1	111.3270	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	108.8940	0.000	1	109.0985	1.087	4	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	H(C[5]C[5]2O)	109.5680	0.000	1	109.0985	1.087	4	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O)	107.7490	0.000	1	109.0985	1.087	4	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2O)	110.1830	0.000	1	109.0985	1.087	4	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.6010	0.000	1	108.7233	1.174	3	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	H(C[5]C[5]2O)	108.2845	1.092	2	108.7233	1.174	3	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.5820	0.000	1	110.5820	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	112.1380	0.525	2	112.1380	0.275	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	109.8805	0.480	2	109.8805	0.231	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.7730	0.000	1	110.7730	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.9130	0.000	1	109.9130	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.5210	0.215	2	109.5210	0.046	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.1640	2.748	2	110.1640	7.550	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	107.4440	0.000	1	107.4440	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.3210	0.000	1	109.3210	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2O)	109.6383	0.763	3	108.1800	6.814	5	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	105.9925	3.184	2	108.1800	6.814	5	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<3>}	H(C[5]C[5]2O)	112.1970	0.000	1	112.1970	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	112.2260	0.000	1	112.2260	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2O)	107.8210	0.000	1	107.8210	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	110.6392	1.117	10	110.6392	1.249	10	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.8250	0.000	1	110.8250	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<2>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	H(C[5]C[5]2O)	112.2340	0.000	1	111.3833	1.173	7	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.2415	1.113	6	111.3833	1.173	7	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	111.6526	0.690	19	111.6363	0.456	20	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.3260	0.000	1	111.6363	0.456	20	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.6610	0.000	1	109.6610	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	111.2545	0.631	2	111.2545	0.399	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.4350	0.000	1	111.4350	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.1991	2.313	7	111.7256	4.372	10	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	110.6207	1.003	3	111.7256	4.372	10	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.6600	1.016	12	110.7337	1.645	133	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.6140	1.140	6	110.7337	1.645	133	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	110.7998	1.301	114	110.7337	1.645	133	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.7990	0.000	1	110.7337	1.645	133	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	111.7990	0.000	1	111.9580	0.051	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	112.1170	0.000	1	111.9580	0.051	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	110.7220	0.877	8	110.7220	0.769	8	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	H(C[5]C[5]2O)	111.6190	0.000	1	111.6190	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	111.9060	0.000	1	111.9060	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2O)	112.2170	0.000	1	112.2170	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.1497	0.191	3	109.1497	0.036	3	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	111.1160	0.404	2	111.1160	0.164	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.5910	0.914	2	109.5910	0.835	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.0430	0.000	1	110.0430	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	113.9520	0.000	1	111.4778	2.494	24	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.8910	2.738	2	111.4778	2.494	24	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	111.7770	1.102	2	111.4778	2.494	24	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.1018	0.829	17	111.4778	2.494	24	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	113.7245	4.260	2	111.4778	2.494	24	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.9260	0.000	1	110.9260	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.9940	0.000	1	109.9940	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	111.2380	0.000	1	111.2380	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.4710	0.000	1	111.4710	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.4510	0.000	1	111.1922	2.930	5	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	111.3775	1.918	4	111.1922	2.930	5	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.0835	1.303	2	109.0835	1.698	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.7305	0.281	2	110.4030	1.396	3	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.7480	0.000	1	110.4030	1.396	3	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	110.7310	0.000	1	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.2897	1.783	27	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]2O)	110.8610	0.000	1	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.3920	0.992	8	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.3520	2.157	53	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.5357	0.938	7	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	111.5750	0.000	1	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.0775	1.624	2	110.5769	3.723	100	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.9960	0.000	1	111.9960	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.9500	0.000	1	109.9500	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.6440	0.441	2	110.6440	0.195	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.9675	0.817	2	111.1965	1.364	6	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.8110	0.735	4	111.1965	1.364	6	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,1|S<2>}	H(C[5]C[5]2O)	111.8730	0.264	2	111.8730	0.070	2	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|S<2>}	H(C[5]C[5]2O)	111.7680	0.000	1	111.7680	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.6550	0.000	1	109.6550	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	111.3200	0.000	1	111.3200	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H)	H(C[5]C[5]2O)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2O)	109.4730	0.000	1	109.4730	0.000	1	110.7257	2.459	397	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	115.1290	0.000	1	115.1290	0.000	1	112.5785	13.010	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.0280	0.000	1	110.0280	0.000	1	112.5785	13.010	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2O)	108.1423	0.181	3	108.1423	0.033	3	109.8623	1.440	26	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	114.0820	0.000	1	114.0820	0.000	1	109.8623	1.440	26	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H){1|O<1>,3|H<1>}	H(C[5]C[5]2O)	109.1160	0.000	1	109.1160	0.000	1	109.8623	1.440	26	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.9440	0.672	20	109.9426	0.429	21	109.8623	1.440	26	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2O)	109.9130	0.000	1	109.9426	0.429	21	109.8623	1.440	26	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H){1|B<4>,1|H<1>,2|N<3>,2|O<2>}	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]2O[5])	109.6750	0.000	1	109.6750	0.000	1	109.8273	0.940	10	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.8895	0.347	2	110.8895	0.121	2	109.8273	0.940	10	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.9383	0.177	3	109.9383	0.031	3	109.8273	0.940	10	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.7650	0.000	1	110.7650	0.000	1	109.8273	0.940	10	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.7050	0.000	1	109.7050	0.000	1	109.8273	0.940	10	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	108.2670	0.440	2	108.2670	0.193	2	109.8273	0.940	10	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H)	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2S)	109.5730	0.000	1	109.5730	0.000	1	108.6195	1.818	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H)	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2S)	107.6660	0.000	1	107.6660	0.000	1	108.6195	1.818	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:Se-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H)	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H)	H(C[5]C[5]2Se)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2Se)	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]C[6]O[5])	108.5490	0.000	1	108.5490	0.000	1	108.7560	0.086	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	H(C[5]C[5]C[6]O[5])	108.9630	0.000	1	108.9630	0.000	1	108.7560	0.086	2	110.7016	2.571	530	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	107.7425	0.107	2	107.7425	0.011	2	109.1609	1.855	10	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.5860	0.199	2	109.5860	0.040	2	109.1609	1.855	10	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.0010	0.000	1	108.0010	0.000	1	109.1609	1.855	10	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.6905	1.199	2	108.6905	1.437	2	109.1609	1.855	10	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.0230	0.000	1	109.0230	0.000	1	109.1609	1.855	10	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.4810	0.000	1	111.4810	0.000	1	109.1609	1.855	10	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.0660	0.000	1	111.0660	0.000	1	109.1609	1.855	10	109.3029	2.190	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	111.5020	0.000	1	111.5020	0.000	1	111.0207	0.247	3	111.0207	0.247	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO){1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.5090	0.000	1	110.5090	0.000	1	111.0207	0.247	3	111.0207	0.247	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.0510	0.000	1	111.0510	0.000	1	111.0207	0.247	3	111.0207	0.247	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]N)	110.1533	1.325	3	110.1533	1.756	3	110.1533	1.756	3	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H){1|O<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	108.8800	0.000	1	108.8800	0.000	1	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H){2|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.3730	0.000	1	111.3730	0.000	1	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	109.5730	0.000	1	109.5730	0.000	1	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	110.6740	0.000	1	110.6740	0.000	1	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	110.9390	0.206	2	110.9390	0.043	2	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.4810	0.000	1	110.4580	1.909	2	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	H(C[5]C[5]2O)	111.4350	0.000	1	110.4580	1.909	2	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.5620	0.000	1	110.5620	0.000	1	110.4284	0.822	9	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2	H(C[5]C[5]2O)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2{2|H<1>}	H(C[5]C[5]2O)	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	110.1575	1.055	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:2:5:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-5:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.6335	0.022	2	111.6335	0.000	2	111.6335	0.000	2	111.6335	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.2770	0.000	1	112.2770	0.000	1	110.3254	1.767	7	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.0480	0.000	1	109.0480	0.000	1	110.3254	1.767	7	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.4940	0.822	3	109.4940	0.675	3	110.3254	1.767	7	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.2355	0.279	2	111.2355	0.078	2	110.3254	1.767	7	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]C)	109.6315	0.050	2	109.6315	0.003	2	109.8633	0.163	3	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	110.3270	0.000	1	110.3270	0.000	1	109.8633	0.163	3	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.0900	0.550	2	110.0900	0.303	2	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]O)	108.6870	0.000	1	108.6870	0.000	1	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]O)	110.4540	0.000	1	110.4540	0.000	1	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.9830	0.000	1	111.9830	0.000	1	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]O)	112.8315	2.442	2	112.8430	2.981	3	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]O)	112.8660	0.000	1	112.8430	2.981	3	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]O)	111.8800	0.000	1	110.8360	1.469	4	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]O)	110.4880	1.216	3	110.8360	1.469	4	111.0981	2.648	12	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]O)	112.7630	0.644	5	112.7630	0.415	5	111.5233	3.813	9	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.9450	0.000	1	110.5483	3.796	3	111.5233	3.813	9	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.8500	2.654	2	110.5483	3.796	3	111.5233	3.813	9	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	108.2500	0.000	1	108.2500	0.000	1	111.5233	3.813	9	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	110.2307	0.784	3	110.2307	0.614	3	110.2307	0.614	3	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	108.9730	0.000	1	108.9730	0.000	1	109.1063	0.013	4	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.1530	0.000	1	109.1530	0.000	1	109.1063	0.013	4	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){1|C<3>,1|P<4>}	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]O[5]C)	109.1495	0.121	2	109.1495	0.015	2	109.1063	0.013	4	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2N)	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	110.5000	0.000	1	110.5000	0.000	1	110.3692	0.741	5	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	110.5150	1.144	2	110.6853	0.742	3	110.3692	0.741	5	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	111.0260	0.000	1	110.6853	0.742	3	110.3692	0.741	5	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H)	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H){1|H<1>,1|P<3>}	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2{1|Ru<9>,1|C<4>,1|H<1>}	H(C[5]C[5]2N)	109.2900	0.000	1	109.2900	0.000	1	110.3692	0.741	5	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.9280	0.000	1	111.9280	0.000	1	112.0990	0.058	2	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.2700	0.000	1	112.2700	0.000	1	112.0990	0.058	2	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{3|C<4>}	H(C[5]C[5]2O)	108.0120	0.000	1	108.1565	0.042	2	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2O)	108.3010	0.000	1	108.1565	0.042	2	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.0440	0.000	1	111.0440	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2O)	112.5470	0.000	1	112.5470	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2O)	111.2160	0.000	2	111.2160	0.000	2	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.5670	0.000	1	110.6587	1.863	4	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2O)	112.1020	0.000	1	110.6587	1.863	4	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.4830	1.500	2	110.6587	1.863	4	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O)	110.6930	0.000	1	110.6930	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.7545	0.377	2	111.7545	0.142	2	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.3553	0.747	3	111.3553	0.558	3	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	109.6650	0.000	1	109.6650	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2O)	112.5880	0.000	1	112.5880	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2O)	111.4750	0.000	1	111.2133	0.081	4	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2O)	111.1260	0.276	3	111.2133	0.081	4	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]2O)	112.3000	0.007	2	112.3000	0.000	2	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.3565	0.480	2	112.3565	0.231	2	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.5062	1.338	5	109.5062	1.792	5	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.5410	0.000	1	109.5410	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2O)	111.6770	0.000	1	111.6770	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2O)	112.0320	0.000	1	112.0320	0.000	1	110.8953	1.856	34	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.3575	1.357	2	110.3575	1.841	2	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.8810	0.000	1	109.8810	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.8330	0.000	1	110.8330	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.1300	0.000	1	111.1300	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O)	109.0190	0.000	1	109.0190	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	114.2410	5.135	2	113.2060	16.398	3	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.1360	0.000	1	113.2060	16.398	3	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	110.4850	0.000	1	110.4850	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2{1|F<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2O)	110.2670	0.000	1	110.2670	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	H(C[5]C[5]2O)	109.8340	1.999	3	109.8340	3.995	3	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2O)	111.7770	0.365	2	111.3174	0.391	11	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.2152	0.638	9	111.3174	0.391	11	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.2640	0.000	1	111.2640	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.7203	0.214	3	111.7203	0.046	3	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.7400	0.000	1	111.4241	1.093	40	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2O)	111.9440	0.000	1	111.4241	1.093	40	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2O)	111.3733	0.798	3	111.4241	1.093	40	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.4046	1.098	35	111.4241	1.093	40	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.4540	0.000	1	109.4540	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	111.3820	0.000	1	111.3820	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2O)	109.2040	0.423	2	109.2040	0.179	2	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.0010	1.660	2	111.2935	1.744	6	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.4398	1.380	4	111.2935	1.744	6	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.5667	0.073	4	110.5667	0.005	4	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.6320	0.000	1	110.1010	0.628	3	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.8355	0.913	2	110.1010	0.628	3	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.1655	0.540	2	110.1655	0.291	2	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H){2|C<3>}	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.6950	0.000	1	110.6950	0.000	1	111.1228	1.682	89	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H)	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2S)	108.3770	0.000	1	108.3770	0.000	1	108.9367	5.108	3	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H){1|O<1>}	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2S)	111.4240	0.000	1	111.4240	0.000	1	108.9367	5.108	3	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2S)	107.0090	0.000	1	107.0090	0.000	1	108.9367	5.108	3	110.9278	1.986	173	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H)	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H){1|C<4>,2|C<3>,2|F<1>}	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]O)	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]O)	109.3440	0.000	1	110.8096	0.700	5	110.8096	0.700	5	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]O)	111.1760	0.194	4	110.8096	0.700	5	110.8096	0.700	5	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H)	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	108.7385	0.271	2	108.7385	0.073	2	108.7385	0.073	2	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]O[5])	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]O)	111.6260	3.545	2	111.6260	12.570	2	111.6260	12.570	2	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H){1|N<3>,2|H<1>}	H(C[5]C[5]2O)	109.1490	0.000	1	109.1490	0.000	1	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	113.2710	0.000	1	113.2710	0.000	1	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|N<3>,2|C<4>}	H(C[5]C[5]2O)	108.8870	0.303	2	108.8870	0.092	2	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|O<2>,2|C<4>}	H(C[5]C[5]2O)	108.9250	0.000	1	108.9250	0.000	1	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.7635	1.540	4	110.7635	2.373	4	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	116.9835	0.981	2	116.9835	0.962	2	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){2|H<1>}	H(C[5]C[5]2O)	111.5450	0.000	1	111.5450	0.000	1	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OSi)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.7940	0.000	1	108.7940	0.000	1	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OSi)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	108.8560	0.000	1	108.8560	0.000	1	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.6550	0.000	1	109.6550	0.000	1	110.9993	8.099	15	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.7843	0.203	3	111.7843	0.041	3	111.3834	1.350	7	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	111.0828	1.546	4	111.0828	2.391	4	111.3834	1.350	7	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.6040	0.000	1	109.4513	0.115	3	109.4513	0.115	3	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	109.3750	0.441	2	109.4513	0.115	3	109.4513	0.115	3	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2O[5])	108.4290	0.000	1	108.4290	0.000	1	109.4667	0.868	3	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	110.2320	0.000	1	110.2320	0.000	1	109.4667	0.868	3	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.7390	0.000	1	109.7390	0.000	1	109.4667	0.868	3	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	110.5098	4.321	43	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:2:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[3x6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H)	H(C[5]C[3x6]C[5]O[5])	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H){2|C<3>,3|C<4>}	H(C[5]C[3x6]C[5]O[5])	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[4,5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H)	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]C)	108.2445	1.071	2	108.2445	1.148	2	108.2445	1.148	2	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H){1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H){1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.1980	0.000	1	109.1980	0.000	1	110.9628	2.306	5	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.4280	0.000	1	109.4280	0.000	1	110.9628	2.306	5	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.3260	0.000	1	112.3260	0.000	1	110.9628	2.306	5	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	111.9310	0.148	2	111.9310	0.022	2	110.9628	2.306	5	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.3770	0.000	1	109.3770	0.000	1	110.5280	2.165	6	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){4|H<1>}	H(C[5]C[5]2O)	111.8350	0.000	1	111.8350	0.000	1	110.5280	2.165	6	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.2710	1.052	2	110.2710	1.107	2	110.5280	2.165	6	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	112.5080	0.000	1	112.5080	0.000	1	110.5280	2.165	6	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.9060	0.000	1	108.9060	0.000	1	110.5280	2.165	6	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:O-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(COO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2O[5])	109.1190	0.000	1	109.1144	0.206	5	109.1144	0.206	5	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	109.1132	0.525	4	109.1144	0.206	5	109.1144	0.206	5	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H){1|H<1>,1|N<3>,3|O<1>,4|C<3>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,5|C<3>}	H(C[5]C[5]2O[5])	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(COO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HS)(C[5]O[5]O)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2S)	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	109.8070	2.260	25	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.4785	1.406	2	109.4785	1.978	2	109.4785	1.978	2	109.7260	1.173	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	109.7260	1.173	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	110.2825	7.734	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:S-3:C-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	110.2825	7.734	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[3]C[5]O[5])	108.6270	0.000	1	108.6270	0.000	1	109.7238	0.607	11	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[3]C[5]O[5])	109.8335	0.726	10	109.8335	0.528	10	109.7238	0.607	11	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CN)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CN)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]C)	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]O[5])	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.1423	0.263	4	111.1423	0.069	4	111.2220	0.084	5	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.5410	0.000	1	111.5410	0.000	1	111.2220	0.084	5	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<4>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.2030	0.509	2	109.2030	0.259	2	109.2030	0.259	2	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H){1|C<4>,1|O<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	H(C[5]C[5]2N)	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2N)	110.7835	1.206	2	110.7835	1.454	2	110.7835	1.454	2	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	H(C[5]C[5]2O)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]2O)	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]2O)	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]2O)	110.4140	0.000	1	110.4140	0.000	1	111.2733	10.245	3	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]2O)	111.7030	4.402	2	111.7030	19.382	2	111.2733	10.245	3	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:F-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F)	H(C[5]C[5]2O)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	107.3455	0.316	2	107.3455	0.100	2	107.3455	0.100	2	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	110.4360	1.991	2	110.4360	3.965	2	111.0460	3.672	8	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	114.3980	0.000	1	114.3980	0.000	1	111.0460	3.672	8	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(C[5]C[5]2O)	109.5480	0.000	1	109.5480	0.000	1	111.0460	3.672	8	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.8460	0.478	2	109.8460	0.228	2	111.0460	3.672	8	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	H(C[5]C[5]2O)	113.1220	0.000	1	113.1220	0.000	1	111.0460	3.672	8	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.7360	0.000	1	110.7360	0.000	1	111.0460	3.672	8	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.4570	0.000	1	109.4570	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.5210	1.780	2	110.5210	3.170	2	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.4870	0.000	1	111.4870	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	113.8960	0.000	1	113.8960	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.4710	0.000	1	109.4710	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	109.4615	1.399	2	109.4615	1.958	2	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.7040	0.000	1	109.7040	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.6470	0.000	1	109.6470	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){4|H<1>}	H(C[5]C[5]2O)	111.0730	0.000	1	111.0730	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.0345	1.286	2	109.8893	0.890	3	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	109.5990	0.000	1	109.8893	0.890	3	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	112.2150	0.000	1	110.6190	5.094	2	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.0230	0.000	1	110.6190	5.094	2	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.9070	0.478	2	110.9070	0.228	2	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	110.4430	1.505	2	110.4430	2.264	2	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	110.3102	0.561	5	110.3102	0.315	5	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	108.7370	0.000	1	108.7370	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.6530	0.000	1	109.6530	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	112.8080	0.000	1	112.8080	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	108.9730	0.000	1	108.9730	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.3810	0.000	1	111.3810	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.7700	0.000	1	109.3740	0.930	3	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.6760	1.146	2	109.3740	0.930	3	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.9050	0.694	2	108.9050	0.482	2	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H){2|C<3>}	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.6420	0.000	1	110.6420	0.000	1	110.2218	1.619	36	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H){2|C<3>,3|H<1>,3|O<2>,5|C<4>}	H(C[5]C[5]2O[5])	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	109.0130	0.000	1	109.0130	0.000	1	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	109.9320	0.000	1	109.9320	0.000	1	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	109.8410	0.000	1	109.8410	0.000	1	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	109.8550	0.000	1	109.8550	0.000	1	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O[5])	109.6860	0.033	2	109.2171	0.240	7	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	109.5990	0.000	1	109.2171	0.240	7	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	108.8873	0.372	4	109.2171	0.240	7	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O[5])	109.0530	0.000	1	109.1450	0.177	5	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	109.1890	0.000	1	109.1450	0.177	5	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	108.8510	0.000	1	109.1450	0.177	5	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	109.8410	0.000	1	109.1450	0.177	5	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	108.7910	0.000	1	109.1450	0.177	5	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	110.2970	0.000	1	110.2970	0.000	1	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	108.3270	0.000	2	108.3270	0.000	2	109.2546	0.347	19	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[4,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H)	H(C[5]C[5]2O[5])	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<5>,2|H<1>,5|C<4>}	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H){1|C<5>,1|C<6>,1|O<2>,3|H<1>,3|O<1>,4|C<4>}	H(C[5]C[5]2O[5])	103.5510	0.000	1	103.5510	0.000	1	103.5510	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2O[5])	109.6380	0.000	1	109.6380	0.000	1	108.8882	0.393	4	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	108.6383	0.463	3	108.6383	0.214	3	108.8882	0.393	4	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H)	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2S)	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H){1|O<1>,1|S<2>,2|C<4>}	H(C[5]C[5]C[6]O[5])	106.5220	0.000	1	106.5220	0.000	1	108.2667	2.283	3	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|O<2>}	H(C[5]C[5]C[6]O[5])	109.1390	0.000	2	109.1390	0.000	2	108.2667	2.283	3	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]C[6]O[5])	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	109.8998	2.338	110	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]O)	111.4220	0.147	2	111.4220	0.022	2	111.4220	0.022	2	108.6991	5.948	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]O)	103.7780	0.000	1	103.7780	0.000	1	103.7780	0.000	1	108.6991	5.948	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	108.6991	5.948	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	108.6991	5.948	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	110.1870	0.000	1	110.1870	0.000	1	109.3485	0.655	4	108.6991	5.948	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.0690	0.717	3	109.0690	0.514	3	109.3485	0.655	4	108.6991	5.948	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	108.6991	5.948	10	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	H(C[5]C[5]2O)	108.9280	0.000	1	108.9280	0.000	1	108.5880	0.482	3	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO){3|H<1>}	H(C[5]C[5]2O)	109.0470	0.000	1	109.0470	0.000	1	108.5880	0.482	3	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	107.7890	0.000	1	107.7890	0.000	1	108.5880	0.482	3	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH){2|H<1>}	H(C[5]C[5]2O)	109.9310	1.147	2	109.9310	1.315	2	109.9310	1.315	2	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2O)	108.9370	0.000	1	108.9370	0.000	1	110.0405	1.126	6	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.5050	1.112	2	109.5050	1.236	2	110.0405	1.126	6	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){4|H<1>}	H(C[5]C[5]2O)	109.9380	0.000	1	109.9380	0.000	1	110.0405	1.126	6	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	111.1790	0.000	2	111.1790	0.000	2	110.0405	1.126	6	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	108.8685	0.278	2	108.8685	0.077	2	108.8685	0.077	2	109.5082	1.117	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H)	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H){1|O<1>,3|H<1>}	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]O)	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H){1|O<1>,4|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]O)	107.5213	0.462	3	107.5213	0.213	3	107.5213	0.213	3	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]O)	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	108.0960	0.000	1	108.0960	0.000	1	110.1764	2.577	7	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	H(C[5]C[5]2O)	108.7200	0.000	1	108.7200	0.000	1	110.1764	2.577	7	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	H(C[5]C[5]2O)	112.0410	0.000	1	112.0410	0.000	1	110.1764	2.577	7	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.6860	0.000	1	111.6860	0.000	1	110.1764	2.577	7	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.5120	0.000	1	111.5120	0.000	1	110.1764	2.577	7	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.5900	0.887	2	109.5900	0.786	2	110.1764	2.577	7	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	H(C[5]C[5]2O)	110.1060	1.011	2	110.1060	1.022	2	110.1060	1.022	2	109.4396	2.556	14	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	B[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2	H(C[5]B[5,5]C[5]O[5])	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|O<2>}	H(C[5]B[5,5]C[5]O[5])	109.6403	0.690	3	109.6403	0.475	3	109.6403	0.475	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]O[5]C)	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2{3|C<4>}	H(C[5]C[3,5,6]C[5]O)	110.6580	0.000	1	110.6580	0.000	1	110.6663	0.585	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5,6]C[5]O)	109.5930	0.000	1	109.5930	0.000	1	110.6663	0.585	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3,5,6]C[5]O)	111.2070	0.136	2	111.2070	0.018	2	110.6663	0.585	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]O)	111.5800	0.000	1	111.5800	0.000	1	111.3056	0.503	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H){1|N<3>,4|H<1>}	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]O)	111.4240	0.000	1	111.4240	0.000	1	111.3056	0.503	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]O)	110.4100	0.267	2	110.4100	0.071	2	111.3056	0.503	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H){1|N<3>,2|H<1>}	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2{1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]O)	111.4860	0.000	1	111.4860	0.000	1	111.3056	0.503	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]O)	111.9145	0.694	2	111.9145	0.481	2	111.3056	0.503	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[3]C[5]O[5])	109.2660	0.000	1	109.2660	0.000	1	109.2085	0.007	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[3]C[5]O[5])	109.1510	0.000	1	109.1510	0.000	1	109.2085	0.007	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2	H(C[5]C[3x5]C[5]O)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[3x5]C[5]O)	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2	H(C[5]C[4,5,5]C[5]O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[4,5,5]C[5]O)	110.3537	0.215	4	110.3537	0.046	4	110.3537	0.046	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5,5]C[5]O)	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5,5]C[5]O)	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5,6]C[5]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5,6]C[5]O)	109.7970	0.000	1	109.6695	0.033	2	109.6695	0.033	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5,6]C[5]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[4,5,6]C[5]O)	109.5420	0.000	1	109.6695	0.033	2	109.6695	0.033	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]O)	109.9460	0.000	1	109.9460	0.000	1	110.0677	0.020	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2{1|Si<4>,1|C<3>,2|C<4>}	H(C[5]C[4,5]C[5]O)	110.0330	0.000	1	110.0330	0.000	1	110.0677	0.020	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[4,5]C[5]O)	110.2240	0.000	1	110.2240	0.000	1	110.0677	0.020	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]O)	110.0595	0.670	2	110.0595	0.448	2	110.0595	0.448	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]O)	108.8047	0.095	3	108.8047	0.009	3	108.8047	0.009	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]O)	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]O)	112.5820	0.000	1	112.5820	0.000	1	111.2449	1.246	8	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){4|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{4|C<4>}	H(C[5]C[5,5,6]C[5]O)	109.5875	0.363	2	109.5875	0.132	2	111.2449	1.246	8	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]O)	111.7190	0.000	1	111.7190	0.000	1	111.2449	1.246	8	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]O)	112.1790	0.000	1	112.1790	0.000	1	111.2449	1.246	8	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]O)	111.5650	0.054	2	111.5650	0.003	2	111.2449	1.246	8	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]O)	111.1740	0.000	1	111.1740	0.000	1	111.2449	1.246	8	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O)	108.8310	0.205	2	108.8310	0.042	2	109.6240	1.908	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2{2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]O)	111.2100	0.000	1	111.2100	0.000	1	109.6240	1.908	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2{3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]O)	111.7173	0.333	3	111.7173	0.111	3	111.7173	0.111	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,5]C[5]O)	108.8700	0.000	1	108.8700	0.000	1	110.2323	1.455	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	110.6630	0.000	1	110.6630	0.000	1	110.2323	1.455	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]O)	111.1640	0.000	1	111.1640	0.000	1	110.2323	1.455	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	108.7520	0.000	1	108.7520	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]O)	111.3190	0.000	1	111.3190	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]O)	110.4680	0.000	1	108.9390	4.676	2	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]O)	107.4100	0.000	1	108.9390	4.676	2	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)2(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,5]HO)2(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O)	108.7970	0.000	1	108.7970	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	H(C[5]C[5,5]C[5]O)	110.3690	1.964	2	109.9197	2.535	3	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|Si<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.0210	0.000	1	109.9197	2.535	3	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.0880	0.000	1	109.0880	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.7930	0.000	1	110.2353	1.316	3	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.4565	1.529	2	110.2353	1.316	3	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5,5]C[5]O)	111.9880	0.000	1	111.9880	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.5800	0.000	1	109.5800	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)2(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]HO)2(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O)	106.9190	0.000	1	106.9190	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	110.3215	2.546	2	110.3215	6.484	2	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	110.8900	0.212	2	110.8900	0.045	2	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5,5]C[5]O)	112.3600	0.000	1	112.3600	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]O)	110.5320	0.000	1	110.5320	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.6640	0.000	1	109.6640	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	111.9914	0.368	5	111.9914	0.135	5	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]O)	110.2410	0.000	1	110.2410	0.000	1	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	110.9540	0.000	1	110.9005	1.486	4	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]O)	109.3400	0.000	1	110.9005	1.486	4	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]O)	111.6540	0.940	2	110.9005	1.486	4	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.0440	0.179	4	109.0440	0.032	4	110.2706	2.216	36	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.3450	0.000	1	109.3450	0.000	1	111.1450	6.480	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	112.9450	0.000	1	112.9450	0.000	1	111.1450	6.480	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]O)	112.0440	0.000	1	112.0440	0.000	1	112.0440	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6,6]C[5]O)	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6,6]C[5]O)	109.0950	0.000	1	109.0950	0.000	1	110.6940	1.745	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]O)	112.1670	0.000	1	112.1670	0.000	1	110.6940	1.745	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]O)	109.6030	0.000	1	109.6030	0.000	1	110.6940	1.745	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]O)	110.9010	0.000	1	110.9010	0.000	1	110.6940	1.745	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]O)	111.7040	0.000	1	111.7040	0.000	1	110.6940	1.745	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]O)	113.4835	2.498	2	113.4835	6.241	2	113.4835	6.241	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6,6]C[5]O[5])	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,4|H<1>,6|C<4>}	C[5](C[5]C[5,6,6]O[5]H)(C[5]N[5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]O[5])	107.4290	0.000	1	107.4290	0.000	1	108.0950	0.887	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]O[5])	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H){1|Fe<10>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6,6]C[5]O[5])	108.7610	0.000	1	108.7610	0.000	1	108.0950	0.887	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H)	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.1610	0.000	1	109.1610	0.000	1	108.9735	0.135	6	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.0567	0.501	3	108.9360	0.158	5	108.9735	0.135	6	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.7550	0.140	2	108.9360	0.158	5	108.9735	0.135	6	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.2040	0.187	2	109.2040	0.035	2	109.2040	0.035	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H){1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2{4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]O)	107.9320	0.188	2	107.9320	0.035	2	107.9320	0.035	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{5|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	108.2210	0.000	1	108.1240	0.019	2	108.1240	0.019	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]O)	108.0270	0.000	1	108.1240	0.019	2	108.1240	0.019	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]O)	110.8424	0.517	5	110.8424	0.267	5	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]O)	109.3930	0.891	4	109.3930	0.795	4	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]O)	109.1700	0.000	1	108.6927	0.171	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]C[5]O)	108.4700	0.000	1	108.6927	0.171	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.4380	0.000	1	108.6927	0.171	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]O)	109.1650	0.223	2	108.8903	0.251	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[5]C[5,6]C[5]O)	108.3410	0.000	1	108.8903	0.251	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]O)	109.0780	0.000	1	109.0780	0.000	1	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]C[5]O)	112.8280	0.000	1	112.8280	0.000	1	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.3220	0.000	1	110.3220	0.000	1	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.5090	0.000	1	111.2235	0.152	4	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	111.0630	0.567	2	111.2235	0.152	4	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	111.2590	0.000	1	111.2235	0.152	4	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]O)	110.3610	0.000	1	108.9130	1.670	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.1890	0.441	2	108.9130	1.670	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	111.4740	0.226	2	111.4740	0.051	2	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]O)	110.3710	0.000	1	110.3710	0.000	1	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]O)	110.9017	0.485	3	110.9017	0.235	3	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.6060	0.000	1	110.6060	0.000	1	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5,6]C[5]O)	110.7930	0.416	2	110.7930	0.173	2	110.1944	1.466	34	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	111.8990	0.000	1	111.8990	0.000	1	111.8990	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]O)	108.9880	0.000	1	108.9880	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]O)	109.3110	0.000	1	109.3110	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.4200	0.000	1	110.4200	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	107.2570	0.000	1	107.2570	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]O)	109.9530	0.000	1	109.9530	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	113.4690	0.000	1	113.4690	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.4930	0.000	1	110.4930	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]O)	106.9560	0.000	1	108.0205	2.266	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]O)	109.0850	0.000	1	108.0205	2.266	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]O)	109.5860	0.512	2	109.5860	0.262	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.7540	0.163	2	109.5604	0.816	41	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	108.6940	0.000	2	109.5604	0.816	41	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]O)	110.1630	0.000	1	109.5604	0.816	41	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	109.5810	0.936	36	109.5604	0.816	41	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	107.4110	0.000	1	108.6346	3.629	52	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.2070	0.000	1	108.6346	3.629	52	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]O)	108.1265	0.869	2	108.6346	3.629	52	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	108.6387	2.005	46	108.6346	3.629	52	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]O)	109.3720	0.187	2	108.6346	3.629	52	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]O)	109.6810	0.000	1	109.0440	0.812	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	108.4070	0.000	1	109.0440	0.812	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.6420	0.000	1	111.6420	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.1863	1.046	6	110.1863	1.095	6	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	110.5650	0.000	1	110.5650	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	110.2830	0.000	1	109.5933	0.362	3	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.2485	0.098	2	109.5933	0.362	3	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,6]C[5]O)	109.6950	0.646	2	109.6950	0.418	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	110.9970	0.000	1	110.9970	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]O)	109.2810	0.000	1	109.2810	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.1320	0.602	3	111.1320	0.363	3	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	108.5640	0.000	1	108.5640	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	111.4430	0.000	1	111.4430	0.000	1	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	110.6600	0.000	1	111.0535	0.310	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]O)	111.4470	0.000	1	111.0535	0.310	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]O)	111.8295	0.631	2	111.9972	2.095	4	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]O)	110.4660	0.000	1	111.9972	2.095	4	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	113.8640	0.000	1	111.9972	2.095	4	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]O)	111.4240	0.000	1	110.6450	0.692	3	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]O)	110.2555	0.688	2	110.6450	0.692	3	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	H(C[5]C[5,6]C[5]O)	111.6850	2.632	2	111.6850	6.927	2	109.4507	2.771	137	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]O[5])	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H){1|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]C)	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	108.2594	0.326	9	108.2594	0.107	9	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.8575	0.104	2	109.8575	0.011	2	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	110.2190	0.000	1	110.2190	0.000	1	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]C)	108.5770	0.000	1	108.5770	0.000	1	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.7750	0.000	1	109.7750	0.000	1	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]O[5]C)	109.9645	0.226	2	109.9645	0.051	2	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]O[5]C)	109.1135	1.237	2	109.1135	1.530	2	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]C)	109.5273	0.245	3	109.5273	0.060	3	109.0171	0.697	21	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	H(C[5]C[5]S[5]C)	108.3020	0.000	1	108.3020	0.000	1	108.4600	0.050	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	H(C[5]C[5]S[5]C)	108.6180	0.000	1	108.6180	0.000	1	108.4600	0.050	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|Si<4>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.6525	0.310	4	108.6525	0.096	4	108.6525	0.096	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H){1|C<4>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.2090	0.000	1	109.4425	1.175	2	109.6250	0.687	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|S<4>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	108.6760	0.000	1	109.4425	1.175	2	109.6250	0.687	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.9900	0.000	1	109.9900	0.000	1	109.6250	0.687	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H)	C[5](P[5]C[6a]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H){6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]C[5]CH)(H)2{6|C<3>}	H(C[5]C[5]2C)	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Ge-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(GeN)(H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Ge)	C[5](C[5]C[5]HH)2(GeN)(H){4|H<1>}	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2Ge)	112.6635	0.035	2	112.6635	0.001	2	112.6635	0.001	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	109.5920	0.000	1	109.5920	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2N)	110.0908	0.509	6	110.0908	0.259	6	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2N)	109.5897	1.165	12	109.5897	1.358	12	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2N)	109.2800	0.000	1	109.2800	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2N)	111.6530	1.648	2	111.6530	2.714	2	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2N)	111.7690	0.000	1	111.7690	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2N)	117.4630	0.000	1	117.4630	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2N)	113.6440	0.000	1	113.6440	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	112.0390	0.000	1	112.0390	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NS)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	107.6520	0.000	1	107.6520	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2N)	107.7010	0.000	1	107.7010	0.000	1	110.2881	4.145	28	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.2550	0.000	1	109.2550	0.000	1	109.7080	0.410	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.1610	0.000	1	110.1610	0.000	1	109.7080	0.410	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H)	H(C[5]C[5]2O)	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H){1|C<4>,5|H<1>}	H(C[5]C[5]2O)	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2{1|Br<1>,1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.9440	0.000	1	110.9440	0.000	1	112.2070	7.549	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H){1|S<4>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	115.3590	0.000	1	115.3590	0.000	1	112.2070	7.549	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,2|C<3>}	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.3180	0.000	1	110.3180	0.000	1	112.2070	7.549	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H){1|S<2>,2|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2O)	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	109.9600	0.000	2	110.8213	0.260	12	110.5341	0.460	16	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Cl<1>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	110.9936	0.346	10	110.8213	0.260	12	110.5341	0.460	16	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]HH)2(OC)(H){4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]2O)	109.6870	0.167	2	109.6723	0.025	4	110.5341	0.460	16	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]HH)2(OC)(H){4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5]2O)	109.6575	0.218	2	109.6723	0.025	4	110.5341	0.460	16	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5]2O)	110.2570	0.000	1	110.2570	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	113.5160	0.000	1	113.5160	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.6080	0.000	1	111.6080	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.4120	0.000	1	109.4120	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2O)	111.3440	0.000	1	111.3440	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.1460	0.000	1	109.1460	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.9300	0.000	1	109.9300	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.4860	0.000	1	110.4860	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.9180	0.000	1	109.9180	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.1470	2.758	2	110.1862	2.603	6	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.5407	0.960	3	110.1862	2.603	6	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.2010	0.000	1	110.1862	2.603	6	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){3|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2O)	112.0330	0.000	1	112.0330	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.7140	0.000	1	111.7140	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2O)	114.2070	0.000	1	114.2070	0.000	1	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)2(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	111.7020	0.000	1	111.6985	0.000	2	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)2(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.6950	0.000	1	111.6985	0.000	2	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(OSi)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)2(OSi)(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	111.3070	0.000	2	111.3070	0.000	2	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(OSi)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)2(OSi)(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.2610	0.000	2	111.2610	0.000	2	110.9675	2.002	24	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2O)	109.1650	0.000	1	109.1650	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2O)	109.8100	0.412	2	109.8100	0.169	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2O)	109.3100	0.000	1	109.3100	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	110.1250	0.000	1	110.1250	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2O)	109.9390	0.000	1	110.0690	0.323	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	109.6670	0.539	2	110.0690	0.323	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2O)	110.5360	0.475	2	110.0690	0.323	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2O)	110.2145	0.499	2	110.2974	0.080	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2O)	110.3527	0.155	3	110.2974	0.080	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2O)	111.5020	0.000	1	111.5020	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2O)	109.4700	0.000	1	109.7066	0.347	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2O)	110.5850	0.000	1	109.7066	0.347	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	110.0080	0.000	1	109.7066	0.347	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2O)	109.2350	0.160	2	109.7066	0.347	5	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	109.5830	0.000	1	108.5593	1.873	3	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2O)	108.0475	1.474	2	108.5593	1.873	3	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2O)	108.9900	0.000	1	108.9900	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.2110	0.000	1	110.6185	0.702	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.0260	0.000	1	110.6185	0.702	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2O)	108.4680	0.000	1	108.4680	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O)	111.7430	1.462	2	111.7430	2.138	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2O)	107.5790	0.000	1	108.1875	0.741	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5]2O)	108.7960	0.000	1	108.1875	0.741	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	110.2110	0.000	1	110.2110	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	110.4180	0.000	1	110.4180	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	110.9820	3.403	2	110.9820	11.578	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.9630	0.000	1	111.9630	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2O)	111.0315	2.488	2	111.0315	6.192	2	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	111.2190	0.000	1	111.2190	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.1410	0.000	1	109.1410	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2O)	110.6610	0.000	1	110.6610	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2O)	110.7340	1.101	4	110.7340	1.211	4	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H){2|C<3>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2O)	111.3900	0.000	1	111.3900	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5]2O)	110.3690	0.000	1	110.3690	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.8670	0.000	1	109.8670	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(OC[6])(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)2(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2O)	108.7610	0.000	1	108.7610	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(OC[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)2(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2O)	108.7850	0.000	1	108.7850	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	108.8550	0.000	1	108.8550	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2O)	109.9160	0.000	1	111.4980	7.831	3	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2O)	112.2890	3.451	2	111.4980	7.831	3	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2O)	109.6670	0.000	1	109.6670	0.000	1	110.1265	1.823	56	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:F-1:	C[5]-4:	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F)	H(C[5]C[5]2O)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	108.0580	0.296	2	108.0580	0.087	2	108.0580	0.087	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.0590	0.000	1	111.0590	0.000	1	110.7653	0.606	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2O)	109.8830	0.000	1	109.8830	0.000	1	110.7653	0.606	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.3540	0.000	1	111.3540	0.000	1	110.7653	0.606	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H){2|H<1>,2|O<1>}	H(C[5]C[5]2O)	110.8030	0.000	2	110.8030	0.000	2	110.8030	0.000	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	107.7680	0.000	1	107.7680	0.000	1	108.7820	0.776	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2{2|H<1>}	H(C[5]C[5]2O)	109.2210	0.000	1	109.2210	0.000	1	108.7820	0.776	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2	H(C[5]C[5]2O)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2{2|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.3570	0.000	1	109.3570	0.000	1	108.7820	0.776	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.2960	0.000	1	110.0793	3.975	3	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.9710	2.807	2	110.0793	3.975	3	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	H(C[5]C[5]2O)	108.0840	0.000	1	108.0840	0.000	1	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	110.2840	0.000	1	110.1668	0.825	5	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.1375	1.046	4	110.1668	0.825	5	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	109.1010	0.000	1	111.1244	1.286	5	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.6303	0.094	4	111.1244	1.286	5	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]2O)	111.8150	0.000	1	111.8150	0.000	1	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2O)	107.7300	0.191	2	107.7300	0.036	2	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.2410	1.624	6	110.2410	2.639	6	110.1521	2.418	23	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	109.3710	0.000	1	109.3710	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2O)	108.4820	0.000	1	108.4820	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2O)	109.0910	0.000	1	109.0910	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.6860	0.000	1	109.6860	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	111.1150	0.000	1	111.1150	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	110.5880	0.000	1	110.5880	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2O)	110.0470	0.000	2	109.7367	0.289	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.1160	0.000	1	109.7367	0.289	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2O)	111.6840	0.000	1	111.6840	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2O)	108.9065	0.052	2	108.9065	0.003	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2O)	108.6958	0.719	5	109.3784	1.409	10	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2O)	108.1480	0.000	1	109.3784	1.409	10	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2O)	110.5392	0.678	4	109.3784	1.409	10	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2O)	107.8400	0.000	1	111.4352	4.315	8	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2O)	113.6250	2.263	2	111.4352	4.315	8	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	110.7190	1.168	2	111.4352	4.315	8	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.6513	0.136	3	111.4352	4.315	8	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2O)	109.2650	0.000	1	109.2650	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<2>,3|C<3>}	H(C[5]C[5]2O)	110.0737	0.480	3	110.0737	0.231	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2O)	108.6170	0.000	1	108.8860	0.145	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|C<4>}	H(C[5]C[5]2O)	109.1550	0.000	1	108.8860	0.145	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.6060	0.095	2	109.6060	0.009	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.3195	0.305	2	111.2803	0.051	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.2020	0.000	1	111.2803	0.051	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.1120	0.000	1	111.0293	1.996	4	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	112.9950	0.000	1	111.0293	1.996	4	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2O)	110.0050	0.133	2	111.0293	1.996	4	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.0270	0.000	1	111.1690	1.482	5	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.7045	0.253	4	111.1690	1.482	5	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	108.3360	0.000	1	108.3360	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.2960	0.000	1	110.2000	1.357	7	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.2496	1.131	5	110.2000	1.357	7	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	108.8560	0.000	1	110.2000	1.357	7	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.2490	0.000	1	111.2490	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2O)	110.5090	1.953	2	110.5090	3.814	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.9810	0.000	1	110.9810	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	110.5360	0.000	1	110.5360	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2O)	109.9540	0.000	1	109.9540	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.9130	0.000	1	112.9130	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2O)	108.9330	0.000	1	109.4400	0.121	6	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2O)	109.5414	0.271	5	109.4400	0.121	6	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){1|Br<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	107.9660	0.000	1	107.9660	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	112.6025	0.185	2	112.6025	0.034	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.8159	1.081	14	109.8159	1.169	14	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.0970	0.000	1	111.8443	5.937	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	114.5670	0.000	1	111.8443	5.937	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.8690	0.000	1	111.8443	5.937	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.3550	0.000	1	110.3550	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.3320	0.000	1	110.3320	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.6990	0.000	1	109.6990	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.6260	0.000	1	111.6260	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	113.6620	0.000	1	113.6620	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.1250	0.000	1	110.1250	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2O)	109.7720	0.000	1	109.7720	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2O)	113.8630	0.000	1	113.8630	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.6970	0.000	1	109.5963	0.041	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.3640	0.000	1	109.5963	0.041	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2O)	109.7280	0.000	1	109.5963	0.041	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.4437	0.958	4	110.1588	1.094	5	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2O)	109.0190	0.000	1	110.1588	1.094	5	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.1360	0.000	1	111.2157	0.351	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.8440	0.000	1	111.2157	0.351	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2O)	110.6670	0.000	1	111.2157	0.351	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2O)	109.3460	0.000	1	109.3460	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2O)	112.1810	0.150	4	111.5160	0.479	13	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.2204	0.625	9	111.5160	0.479	13	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.2730	0.000	1	111.2730	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.7213	0.238	3	111.7213	0.057	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.7500	0.000	1	111.5257	1.525	42	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.9495	0.681	2	111.5257	1.525	42	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2O)	109.4050	0.000	1	111.5257	1.525	42	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2O)	112.6330	0.000	1	111.5257	1.525	42	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|Co<6>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2O)	111.1105	2.814	2	111.5257	1.525	42	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.5477	1.184	35	111.5257	1.525	42	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.9690	0.000	1	111.9690	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2O)	111.3770	0.000	1	111.3770	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2O)	109.4320	0.000	1	109.4320	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<2>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.2320	0.000	1	111.3935	0.899	8	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.2737	0.956	7	111.3935	0.899	8	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.0667	0.730	3	111.0667	0.533	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.2700	0.000	1	111.2700	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.9483	0.697	4	111.9483	0.486	4	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.8128	0.532	13	111.8128	0.283	13	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.4440	0.000	1	111.4440	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2O)	110.4020	0.000	1	110.4020	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	113.2390	1.211	7	111.7702	5.462	13	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2O)	109.8900	0.000	1	111.7702	5.462	13	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.0900	2.449	5	111.7702	5.462	13	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.2520	0.000	1	110.2520	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.7420	0.000	1	110.7420	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	114.8980	0.000	2	114.8980	0.000	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.9543	1.292	12	110.9543	1.670	12	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.1478	0.679	10	111.1478	0.462	10	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	110.7153	0.874	15	110.9326	0.657	52	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.0206	0.779	37	110.9326	0.657	52	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.6890	0.000	1	110.4727	3.685	7	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.1033	1.810	6	110.4727	3.685	7	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	110.8517	1.262	3	110.9378	1.393	48	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.9435	1.190	45	110.9378	1.393	48	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.0300	0.000	1	112.0300	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.8850	0.000	1	111.8850	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.6166	1.122	5	110.6166	1.259	5	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2O)	110.7210	0.284	3	110.7210	0.080	3	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2O)	112.3230	0.000	1	112.3230	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.7180	0.000	1	111.7180	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O)	109.9750	0.000	1	107.1500	15.961	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	104.3250	0.000	1	107.1500	15.961	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){1|O<2>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	113.7960	0.000	1	113.7960	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2O)	110.0302	1.711	11	110.0302	2.926	11	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){1|O<2>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2O)	114.2550	0.000	1	114.2550	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	109.9232	1.699	10	111.2785	3.200	22	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2O)	111.9270	0.000	1	111.2785	3.200	22	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2O)	112.4516	0.854	11	111.2785	3.200	22	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2O)	111.9460	0.000	1	111.9460	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2O)	111.2424	0.577	15	111.2424	0.333	15	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.2485	0.032	2	109.2485	0.001	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OP)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OP)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2O)	109.9145	0.056	2	109.9145	0.003	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OS)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2O)	112.4815	0.101	2	112.4815	0.010	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OS)(H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OS)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2O)	112.4715	0.142	2	112.4715	0.020	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2O)	107.8330	0.000	2	107.8330	0.000	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2O)	112.0410	0.000	1	112.0410	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.8800	0.212	2	111.8800	0.045	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.5875	0.538	2	110.5875	0.290	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]2O)	121.5790	13.040	2	121.5790	170.054	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.0430	1.141	2	110.0430	1.302	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.8450	0.956	2	110.8450	0.914	2	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2O)	112.5400	0.000	1	112.5400	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2O)	111.7190	0.000	1	111.7190	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.7170	0.000	1	111.7170	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2O)	111.3800	0.000	1	111.3800	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2O)	111.1610	0.000	1	111.1610	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|N<3>}	H(C[5]C[5]2O)	109.0210	0.000	1	109.0210	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2O)	121.1710	0.000	1	121.1710	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2O)	112.8660	0.000	1	112.8660	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2O)	112.2300	0.000	1	112.2300	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	108.2400	0.000	1	108.2400	0.000	1	111.0125	3.131	446	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	H(C[5]C[5]2O)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.6080	0.000	1	111.6080	0.000	1	111.0720	0.575	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	H(C[5]C[5]2O)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	H(C[5]C[5]2O)	110.5360	0.000	1	110.5360	0.000	1	111.0720	0.575	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	H(C[5]C[5]2O)	110.6460	0.000	1	110.6460	0.000	1	109.6625	0.480	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.5920	0.000	1	109.5920	0.000	1	109.6625	0.480	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.3670	0.000	1	109.3670	0.000	1	109.6625	0.480	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.0450	0.000	1	109.0450	0.000	1	109.6625	0.480	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.1267	0.155	3	112.1267	0.024	3	111.1600	1.540	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.3230	1.684	2	110.3230	2.837	2	111.1600	1.540	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.7110	0.000	1	109.7110	0.000	1	111.1600	1.540	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.3830	0.000	1	111.3830	0.000	1	111.1600	1.540	7	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.5580	0.051	2	110.5580	0.003	2	110.6505	0.012	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|Cl<1>,3|H<1>}	H(C[5]C[5]2O)	110.7430	0.000	2	110.7430	0.000	2	110.6505	0.012	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	H(C[5]C[5]2O)	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.5530	0.000	1	110.5530	0.000	1	110.5380	0.000	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.5230	0.000	1	110.5230	0.000	1	110.5380	0.000	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.6170	0.000	2	110.8710	0.194	3	110.8710	0.194	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2O)	111.3790	0.000	1	110.8710	0.194	3	110.8710	0.194	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|Co<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.0765	2.880	2	111.0765	8.295	2	111.0765	8.295	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|H<1>,3|O<2>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5]2O[5])	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	109.1235	0.373	4	109.1235	0.139	4	109.1235	0.139	4	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2{1|Fe<10>,4|C<4>}	H(C[5]C[5]2O[5])	108.5705	0.381	2	108.5705	0.145	2	108.5705	0.145	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	109.6530	0.000	1	109.6530	0.000	1	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2O[5])	108.9970	0.000	1	108.9970	0.000	1	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	108.6486	0.288	10	108.6486	0.083	10	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2O[5])	114.5440	0.000	1	110.0768	8.993	4	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2O[5])	108.5877	0.431	3	110.0768	8.993	4	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	108.2630	0.000	2	108.4458	0.191	10	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	108.5785	0.135	2	108.4458	0.191	10	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	108.4625	0.565	6	108.4458	0.191	10	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	109.5230	0.000	1	109.1405	0.293	2	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	108.7580	0.000	1	109.1405	0.293	2	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	110.1380	0.000	2	110.1380	0.000	2	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2O[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2O[5])	109.1090	0.000	1	109.1090	0.000	1	108.9538	1.389	31	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2S)	109.8750	0.000	1	109.8750	0.000	1	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2S)	110.1340	0.000	1	110.1340	0.000	1	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2S)	107.5360	0.000	1	107.5360	0.000	1	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2S)	110.3830	0.028	2	110.3830	0.001	2	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a])(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2S)	109.2740	0.000	1	108.5703	0.373	3	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2S)	108.2185	0.064	2	108.5703	0.373	3	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a])(H)	C[5](C[5]C[5]HS)2(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a])(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HS)2(H)2{4|H<1>}	H(C[5]C[5]2S)	109.3810	0.000	1	109.3810	0.000	1	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2S)	106.7490	0.000	1	106.7490	0.000	1	109.0152	1.615	10	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H)	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2S)	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Se-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2	H(C[5]C[5]2Se)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2Se)	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]O[5])	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]C[6]O[5])	110.7900	0.000	1	110.7900	0.000	1	110.2195	0.651	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	H(C[5]C[5]C[6]O[5])	109.6490	0.000	1	109.6490	0.000	1	110.2195	0.651	2	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2	H(C[5]C[5]O[5]S)	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]S)	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]C[6]O[5])	107.0860	0.000	1	107.9703	1.290	3	107.9703	1.290	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]C[6]O[5])	108.4125	1.186	2	107.9703	1.290	3	107.9703	1.290	3	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]C[6]O[5])	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]C[6]O[5])	109.4510	0.000	1	109.4510	0.000	1	108.9232	1.592	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]C[6]O[5])	108.7130	0.000	1	108.7130	0.000	1	108.9232	1.592	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]C[6]O[5])	107.8220	0.256	2	107.8220	0.066	2	108.9232	1.592	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]C[6]O[5])	110.8080	0.000	1	110.8080	0.000	1	108.9232	1.592	5	110.3794	3.029	1022	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]N)	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]O)	110.6690	0.000	1	110.6690	0.000	1	110.4975	0.059	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]O)	110.3260	0.000	1	110.3260	0.000	1	110.4975	0.059	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H){1|N<2>,4|H<1>}	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]O)	110.0930	0.000	1	110.0930	0.000	1	110.8645	1.190	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]O)	111.6360	0.000	1	111.6360	0.000	1	110.8645	1.190	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[3,5]C[5]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[3,5]C[5]O[5])	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[3]C[5]O[5])	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[3]C[5]O[5])	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	H(C[5]C[4,5]C[5]O)	111.8000	0.481	2	111.8000	0.231	2	111.8000	0.231	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]CH)(CN)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]CH)(CN)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H){1|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]C)	112.0410	0.000	1	112.0410	0.000	1	110.2525	6.397	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]CH)(CN)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5,5]CH)(CN)(H){1|C<3>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]CH)(CN)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.4640	0.000	1	108.4640	0.000	1	110.2525	6.397	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]C)	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]N)	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]N)	106.5690	0.000	1	106.5690	0.000	1	106.5690	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	112.1950	0.000	1	112.1950	0.000	1	111.9555	0.115	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	111.7160	0.000	1	111.7160	0.000	1	111.9555	0.115	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]O)	108.5730	0.000	1	108.5730	0.000	1	108.4970	0.012	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]O)	108.4210	0.000	1	108.4210	0.000	1	108.4970	0.012	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	108.1610	0.000	1	108.1610	0.000	1	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]O)	108.8360	0.000	1	108.8360	0.000	1	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]O)	110.4675	0.284	2	110.4675	0.080	2	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	108.3760	0.000	1	108.3760	0.000	1	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)2(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.5210	0.000	2	109.5210	0.000	2	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5,5]HO)2(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.4960	0.000	2	109.4960	0.000	2	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.1930	0.000	1	109.1930	0.000	1	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.2355	0.125	2	109.2355	0.016	2	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]O)	111.2320	0.000	1	111.2320	0.000	1	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]O)	112.4910	0.000	1	112.2343	3.938	3	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	112.1060	2.789	2	112.2343	3.938	3	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]O)	111.8820	0.595	2	110.9757	2.642	3	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.1630	0.000	1	110.9757	2.642	3	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	109.1090	0.000	1	109.1090	0.000	1	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.8623	0.908	4	111.8623	0.824	4	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.5360	0.000	1	109.8597	2.109	3	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]O)	109.0215	0.053	2	109.8597	2.109	3	110.3335	2.370	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<2>,1|H<2>,3|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.9700	0.000	1	111.9700	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.1950	0.000	1	111.1950	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	111.7270	0.000	1	111.3190	0.656	3	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.1150	1.031	2	111.3190	0.656	3	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]O)	112.1390	0.000	1	112.1390	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O)	111.4370	0.000	1	111.4370	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]O)	112.0330	0.000	1	111.7332	0.205	5	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O)	112.3070	0.000	1	111.7332	0.205	5	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.4420	0.269	3	111.7332	0.205	5	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	112.4807	0.372	7	112.4807	0.138	7	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,2|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	111.6120	0.000	1	111.6120	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	112.4320	0.000	1	112.4320	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	112.5240	0.000	1	112.5240	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	112.0050	0.513	2	112.0050	0.264	2	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5]C[5]O)	113.0830	0.000	1	113.0830	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	112.7547	0.272	3	112.7547	0.074	3	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.2370	0.000	1	109.2370	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	114.8550	0.000	1	114.8550	0.000	1	112.0915	0.922	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.5420	0.000	1	111.5420	0.000	1	111.5420	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.1598	0.377	4	108.8065	1.077	17	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.3770	0.000	1	108.8065	1.077	17	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.4977	1.718	4	108.8065	1.077	17	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.2060	0.000	1	108.8065	1.077	17	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.5925	1.007	4	108.8065	1.077	17	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.8605	1.671	2	108.8065	1.077	17	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){3|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.4070	0.000	1	108.8065	1.077	17	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.2600	0.585	2	108.9040	0.552	3	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.1920	0.000	1	108.9040	0.552	3	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]O[5])	109.9260	0.000	1	109.9260	0.000	1	108.8738	0.976	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]O)	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.4175	0.554	2	109.4175	0.307	2	109.4175	0.307	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]O)	114.5480	0.000	1	114.5480	0.000	1	111.7243	6.498	6	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]O)	109.1910	0.000	1	109.1910	0.000	1	111.7243	6.498	6	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]O)	114.0990	0.000	1	114.0990	0.000	1	111.7243	6.498	6	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]O)	113.3340	0.000	1	113.3340	0.000	1	111.7243	6.498	6	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	110.1920	0.000	1	110.1920	0.000	1	111.7243	6.498	6	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]O)	108.9820	0.000	1	108.9820	0.000	1	111.7243	6.498	6	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]O)	109.8380	0.000	1	109.8380	0.000	1	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	111.9090	0.000	1	111.9090	0.000	1	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	108.7900	0.000	1	108.7900	0.000	1	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]O)	107.0670	0.000	1	107.0670	0.000	1	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.2640	0.000	1	109.2640	0.000	1	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]O)	111.5120	0.000	1	109.8937	1.393	4	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.6930	0.000	2	109.8937	1.393	4	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	108.6770	0.000	1	109.8937	1.393	4	109.6048	2.137	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]O[5])	108.9160	0.000	1	108.9160	0.000	1	109.1525	1.256	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]O[5])	109.9985	0.402	2	109.9985	0.162	2	109.1525	1.256	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]O[5])	107.6970	0.000	1	107.6970	0.000	1	109.1525	1.256	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.9869	0.941	8	108.9869	0.885	8	109.4519	1.093	78	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H){1|C<4>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H){1|C<4>}	H(C[5]C[5]O[5]C)	109.3578	0.271	6	109.3578	0.073	6	109.4519	1.093	78	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<3>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<3>}	H(C[5]C[5]O[5]C)	111.7980	0.508	2	109.5425	1.218	62	109.4519	1.093	78	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	109.4673	1.038	60	109.5425	1.218	62	109.4519	1.093	78	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H){2|C<4>}	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H){2|C<4>}	H(C[5]C[5]O[5]C)	108.7855	0.339	2	108.7855	0.115	2	109.4519	1.093	78	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.8610	0.000	1	108.8610	0.000	1	109.0078	0.120	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.0880	0.000	1	109.0880	0.000	1	109.0078	0.120	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	108.6340	0.000	1	108.6340	0.000	1	109.0078	0.120	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	109.4480	0.000	1	109.4480	0.000	1	109.0078	0.120	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	111.2940	0.000	1	111.2940	0.000	1	109.7430	2.090	3	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]C)	108.9675	0.756	2	108.9675	0.571	2	109.7430	2.090	3	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(CN)(H){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(CN)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.7105	0.590	2	109.7105	0.349	2	109.7105	0.349	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	H(C[5]C[5]2N)	110.0902	0.497	6	110.0902	0.247	6	109.7747	1.160	17	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2N)	109.6026	1.281	11	109.6026	1.640	11	109.7747	1.160	17	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2N)	109.0490	0.000	1	109.0490	0.000	1	109.9675	1.336	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2N)	109.2690	0.000	1	109.2690	0.000	1	109.9675	1.336	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2N)	110.7760	1.170	2	110.7760	1.368	2	109.9675	1.336	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H){1|N<2>,4|H<1>}	H(C[5]C[5]2O)	110.2740	0.000	1	110.2740	0.000	1	109.0180	3.155	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	H(C[5]C[5]2O)	107.7620	0.000	1	107.7620	0.000	1	109.0180	3.155	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2O)	109.9875	0.514	2	109.9875	0.264	2	109.9875	0.264	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2O)	109.8795	0.337	2	109.8795	0.114	2	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.0770	0.000	1	109.0770	0.000	1	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.3260	0.000	1	111.3260	0.000	1	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	H(C[5]C[5]2O)	109.1320	0.000	1	109.1320	0.000	1	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	108.3650	0.000	1	108.3650	0.000	1	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	109.5190	0.000	1	109.5190	0.000	1	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	H(C[5]C[5]2O)	110.2340	0.247	2	110.2340	0.061	2	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	108.7370	0.000	1	110.8313	5.429	3	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	111.8785	2.068	2	110.8313	5.429	3	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	111.4070	0.000	1	111.4070	0.000	1	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	109.4528	0.443	4	109.4528	0.196	4	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.0000	0.290	2	111.6467	1.297	3	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.9400	0.000	1	111.6467	1.297	3	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.5820	0.000	1	111.0227	0.175	3	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.2430	0.243	2	111.0227	0.175	3	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)2(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.5830	0.000	2	110.5830	0.000	2	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)2(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.4920	0.000	2	110.4920	0.000	2	110.3524	1.358	27	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2O)	108.2140	0.000	1	108.2140	0.000	1	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	H(C[5]C[5]2O)	108.9530	0.000	1	108.9530	0.000	1	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.9460	0.000	1	111.9460	0.000	1	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.9730	0.000	1	111.9730	0.000	1	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.7140	0.000	1	109.7140	0.000	1	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.6140	0.000	1	111.0475	0.281	4	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.5960	0.000	2	111.0475	0.281	4	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	111.3840	0.000	1	111.0475	0.281	4	110.5544	1.814	9	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5]C[5]2O)	111.5210	0.000	1	111.5210	0.000	1	111.0683	1.908	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[5]C[5]2O)	109.0130	0.000	1	109.0130	0.000	1	111.0683	1.908	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	111.9460	0.000	1	111.9460	0.000	1	111.0683	1.908	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O)	111.7930	0.000	1	111.7930	0.000	1	111.0683	1.908	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	108.7080	0.000	1	108.7080	0.000	1	109.2385	0.282	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.8880	0.000	1	109.8880	0.000	1	109.2385	0.282	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2O)	109.1790	0.369	2	109.1790	0.136	2	109.2385	0.282	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.4950	0.000	1	110.4950	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.1940	0.000	1	109.1940	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	H(C[5]C[5]2O)	109.0830	0.000	1	109.0830	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	111.0575	2.452	2	111.0575	6.010	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	H(C[5]C[5]2O)	111.1880	0.000	1	111.1880	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	H(C[5]C[5]2O)	107.0280	0.000	1	107.0280	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	H(C[5]C[5]2O)	109.1040	0.000	1	109.3220	3.159	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	H(C[5]C[5]2O)	108.4170	1.918	2	109.3220	3.159	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	H(C[5]C[5]2O)	111.3500	0.000	1	109.3220	3.159	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	H(C[5]C[5]2O)	108.5520	0.000	1	108.5520	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	H(C[5]C[5]2O)	111.6540	0.000	1	111.6540	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	109.4940	0.000	1	109.4940	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	112.8740	0.257	2	112.8740	0.066	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O)	108.8220	0.000	1	109.2062	0.712	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	108.9360	0.994	2	109.2062	0.712	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	110.1310	0.000	1	109.2062	0.712	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.1590	0.000	1	111.1590	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	111.2810	0.000	1	111.2810	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.8460	0.000	1	110.8460	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5]2O)	110.8915	0.019	2	110.8915	0.000	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.2920	0.000	1	110.4050	1.574	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5]2O)	109.5180	0.000	1	110.4050	1.574	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.5480	0.000	1	110.5480	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]2O)	109.3940	0.000	1	109.3940	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.5720	0.075	2	112.5720	0.006	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	109.7641	1.060	15	109.7641	1.123	15	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	H(C[5]C[5]2O)	109.8760	0.000	1	109.8760	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	H(C[5]C[5]2O)	112.3110	0.000	1	112.3110	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H){4|H<1>}	H(C[5]C[5]2O)	111.3600	0.000	1	111.3600	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	H(C[5]C[5]2O)	110.4310	0.000	1	110.4310	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.9490	0.000	1	109.9490	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	H(C[5]C[5]2O)	109.7010	0.000	1	109.7010	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.8030	0.000	1	109.8030	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	H(C[5]C[5]2O)	109.9260	0.000	1	109.9260	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)2(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.5850	0.000	1	109.5850	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.6160	0.000	1	111.6160	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]2O)	108.7410	0.000	1	109.3395	0.716	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	H(C[5]C[5]2O)	109.9380	0.000	1	109.3395	0.716	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	H(C[5]C[5]2O)	112.5880	0.000	1	112.5880	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	H(C[5]C[5]2O)	108.2990	0.000	1	108.2990	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	107.8780	0.000	1	107.8780	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2O)	111.2115	2.194	2	111.2115	4.814	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.0120	1.531	3	111.0120	2.344	3	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2O)	108.7010	0.000	1	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.6560	0.000	1	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.3850	0.000	1	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.8150	2.331	2	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	108.3240	0.000	1	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.8630	0.669	2	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	108.9580	0.000	1	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2O)	109.6350	1.164	2	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2O)	108.5180	0.000	1	109.5973	1.427	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	108.9810	0.000	1	108.9810	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2O)	111.3900	0.000	1	111.3900	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.1717	1.515	3	111.1717	2.296	3	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.0230	1.686	2	111.0230	2.842	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2O)	112.2600	0.000	1	112.2600	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.5477	0.079	3	110.5477	0.006	3	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.6410	0.000	1	110.6410	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.9148	0.436	6	109.9148	0.190	6	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	110.2385	0.504	2	110.2385	0.254	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]2O)	112.0370	0.000	1	112.0370	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	H(C[5]C[5]2O)	110.5540	0.000	1	110.5540	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	H(C[5]C[5]2O)	107.8775	0.296	2	107.8775	0.088	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.2300	0.000	1	112.2300	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	108.9440	0.000	1	108.9440	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.1250	0.930	5	111.1250	0.864	5	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.1300	0.905	4	110.1300	0.819	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.4228	0.602	4	109.4228	0.362	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.9560	0.000	1	111.9560	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	110.6145	0.501	2	110.7173	0.574	8	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.7515	0.864	6	110.7173	0.574	8	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.4904	0.758	9	111.4904	0.575	9	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	104.5140	0.000	1	104.5140	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.3630	0.000	1	110.3630	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	108.4310	0.000	1	108.4310	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.3337	0.916	12	109.3337	0.838	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.1090	1.693	2	111.1090	2.866	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.8822	1.805	8	109.8822	3.259	8	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.7490	0.000	1	110.7490	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[5]C[5]2O)	110.9134	1.326	10	110.8474	1.629	11	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]2O)	110.1870	0.000	1	110.8474	1.629	11	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	112.0380	0.000	1	112.0380	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	110.6715	1.491	4	111.4089	1.494	15	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.6771	1.062	11	111.4089	1.494	15	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.0829	2.476	10	110.0829	6.128	10	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	109.1290	0.000	1	109.1290	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2O)	110.1943	1.475	10	110.4544	1.850	27	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.7095	1.365	15	110.4544	1.850	27	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2O)	109.8410	0.054	2	110.4544	1.850	27	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.4990	0.000	1	111.4990	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.6970	0.606	3	111.6970	0.368	3	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.5880	0.000	1	111.5880	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.2347	1.555	16	110.2347	2.419	16	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.5130	0.033	3	110.5790	0.051	5	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.6780	0.412	2	110.5790	0.051	5	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	111.1995	1.609	2	111.1995	2.588	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.2770	0.000	1	111.2770	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.9570	0.000	1	109.9570	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.8158	0.764	4	111.8158	0.584	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	H(C[5]C[5]2O)	109.7250	0.000	1	109.7250	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2O)	109.8708	0.699	5	109.8708	0.489	5	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2O)	108.6630	0.000	1	108.6630	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2O)	108.8768	1.607	12	108.8768	2.582	12	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2O)	111.5120	0.000	1	111.5120	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	H(C[5]C[5]2O)	112.8180	0.000	1	112.8180	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	H(C[5]C[5]2O)	110.9120	0.000	1	110.9120	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){2|H<1>}	H(C[5]C[5]2O)	108.3400	0.000	1	108.3400	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	H(C[5]C[5]2O)	111.9960	0.079	2	111.9960	0.006	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.4190	1.492	2	111.4190	2.226	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2O)	112.3140	0.000	1	112.3140	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	H(C[5]C[5]2O)	110.5050	2.510	2	110.5050	6.301	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2O)	112.1160	2.240	4	112.1160	5.019	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2O)	109.4395	0.520	4	109.4395	0.270	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2O)	108.6470	1.594	8	108.6470	2.540	8	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.9640	0.000	1	109.9640	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2O)	111.4630	0.000	1	111.4630	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.8570	0.000	1	109.8570	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	112.5950	0.000	1	112.5950	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2O)	110.0070	0.000	1	111.3000	3.344	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	112.5930	0.000	1	111.3000	3.344	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	112.3350	0.000	1	112.3350	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	105.7840	0.000	1	105.7840	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)2(OH)(H)	C[5](C[5]C[5]HO)2(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.6210	3.448	2	110.6210	11.888	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	108.1480	0.000	1	108.1480	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	109.0970	0.000	1	109.0970	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	H(C[5]C[5]2O)	107.2670	0.000	1	107.2670	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	110.2692	0.945	9	110.3109	0.812	10	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	110.6860	0.000	1	110.3109	0.812	10	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	109.0080	0.000	1	109.0080	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	107.2810	0.000	1	107.2810	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.2840	0.000	1	112.2840	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.1530	0.000	1	109.1530	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	108.9900	0.000	1	108.9900	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	109.2970	0.000	1	109.2970	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	109.7640	0.000	1	109.7640	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	109.8110	1.219	4	109.2863	4.701	15	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	109.0955	2.446	11	109.2863	4.701	15	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	H(C[5]C[5]2O)	105.9730	0.000	1	105.9730	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	H(C[5]C[5]2O)	109.5660	0.000	1	109.5660	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	112.3478	4.789	10	112.3478	22.930	10	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	112.1373	0.008	3	112.3424	0.079	5	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	112.6500	0.034	2	112.3424	0.079	5	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.6470	0.000	1	109.6470	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2O)	108.1780	0.730	2	108.1780	0.533	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	112.8815	0.071	2	112.1510	2.898	8	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	111.9075	1.942	6	112.1510	2.898	8	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	112.4430	0.000	1	112.4430	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	111.2092	1.135	10	110.7878	1.912	27	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.3515	1.481	15	110.7878	1.912	27	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	111.9530	0.263	2	110.7878	1.912	27	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.6795	0.556	2	109.6795	0.310	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.5680	0.000	1	109.5680	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.8675	0.438	4	109.8675	0.192	4	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.9130	0.471	3	109.9130	0.222	3	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	109.9310	0.000	1	109.5635	0.270	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2O)	109.1960	0.000	1	109.5635	0.270	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	111.5075	0.176	2	111.5075	0.031	2	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	111.6292	0.970	9	111.6292	0.942	9	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.9140	0.000	1	109.9140	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.1300	0.000	1	110.1300	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.8670	0.000	1	109.8670	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.6397	1.484	16	110.6397	2.201	16	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	109.8050	0.000	1	109.8050	0.000	1	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.8764	0.660	21	109.8764	0.436	21	110.3679	2.919	471	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2O)	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2O)	110.9150	0.000	1	110.5720	0.235	2	110.5720	0.235	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2O)	110.2290	0.000	1	110.5720	0.235	2	110.5720	0.235	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5]-4:	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<2>,1|H<2>,3|C<3>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	108.7790	0.000	1	108.7790	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	108.8950	0.000	1	108.8950	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	107.5830	0.000	1	108.4913	0.624	3	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	108.9455	0.103	2	108.4913	0.624	3	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	109.8080	0.000	1	109.8080	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	109.7340	0.000	1	109.7340	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	107.9020	0.000	1	107.9020	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	109.6800	0.000	1	108.9316	0.314	5	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	108.9410	0.000	1	108.9316	0.314	5	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	108.6790	0.501	3	108.9316	0.314	5	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	109.1539	0.366	7	109.1539	0.134	7	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	108.2060	0.000	1	108.2060	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	109.0170	0.000	1	109.0170	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	108.4605	1.242	2	108.4605	1.544	2	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	108.6320	1.249	3	108.6320	1.559	3	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	109.3020	0.000	1	109.3020	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	108.2460	0.000	1	108.2460	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,2|C<3>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(C[5]C[5]2O[5])	109.7190	0.000	1	109.7190	0.000	1	108.8878	0.476	30	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.5860	0.000	1	109.5860	0.000	1	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.6505	1.602	4	109.6332	4.152	17	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	109.9520	0.000	1	109.6332	4.152	17	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	110.0150	0.532	4	109.6332	4.152	17	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	111.1460	0.000	1	109.6332	4.152	17	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.5735	0.667	4	109.6332	4.152	17	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	105.0175	1.627	2	109.6332	4.152	17	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){3|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]2O[5])	111.6750	0.000	1	109.6332	4.152	17	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	109.5690	0.000	1	109.9303	0.143	3	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	110.1110	0.301	2	109.9303	0.143	3	109.6734	3.348	21	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	111.4190	0.000	1	111.4190	0.000	1	110.2450	1.006	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	108.9740	0.000	1	108.9740	0.000	1	110.2450	1.006	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O[5])	110.2935	0.135	2	110.2935	0.018	2	110.2450	1.006	4	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.2100	0.000	1	110.2100	0.000	1	110.3160	0.047	3	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.3690	0.279	2	110.3690	0.078	2	110.3160	0.047	3	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Cl<1>,1|N<2>,4|C<4>}	H(C[5]C[5]2O[5])	108.4490	0.000	1	108.4490	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<4>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	108.7110	0.000	2	108.7110	0.000	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	108.8590	0.000	1	108.8590	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	H(C[5]C[5]2O[5])	110.0423	0.296	3	110.0423	0.088	3	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	H(C[5]C[5]2O[5])	106.4190	2.883	4	106.4190	8.312	4	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5]2O[5])	111.7390	0.000	1	111.7390	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	108.3040	0.000	1	109.0410	0.207	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2O[5])	108.2700	0.000	1	109.0410	0.207	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	109.1918	0.319	10	109.0410	0.207	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	H(C[5]C[5]2O[5])	109.1068	0.395	4	108.8842	0.566	6	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,2|C<4>,4|O<2>}	H(C[5]C[5]2O[5])	108.4390	1.329	2	108.8842	0.566	6	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	105.7035	4.126	2	105.7035	17.024	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	109.3320	0.000	1	109.3320	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.3880	0.000	1	109.3880	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2O[5])	108.0350	0.000	1	108.0350	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	109.9060	0.000	1	109.9060	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	108.8060	0.164	2	108.8060	0.027	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	109.5320	0.000	1	109.5320	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.2910	0.000	2	109.2910	0.000	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	109.8870	0.000	1	109.8870	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H){1|B<4>,1|H<1>,2|N<3>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]2O[5])	109.7170	0.000	1	109.7170	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.5770	0.000	1	110.7840	0.086	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.9910	0.000	1	110.7840	0.086	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	108.7437	1.977	12	108.7437	3.908	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Cl<1>,1|N<2>,4|C<4>}	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	110.2540	0.000	1	110.2540	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.8230	0.710	3	109.8230	0.504	3	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.0400	1.975	4	109.0400	3.899	4	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HN)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	110.8490	0.000	1	110.8490	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	110.2160	0.000	1	110.2485	0.188	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.3500	0.000	1	110.2485	0.188	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	110.3416	0.361	10	110.2485	0.188	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	104.8985	2.843	2	104.8985	8.084	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O[5])	111.5680	0.000	1	111.5680	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	108.7420	0.000	1	108.7420	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	108.9800	0.000	2	108.9800	0.000	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	108.6817	2.402	12	108.6817	5.771	12	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O[5])	110.8670	0.107	2	110.8670	0.012	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	110.3575	0.674	2	109.3384	5.095	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	110.0825	0.090	2	109.3384	5.095	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	107.5563	3.600	3	109.3384	5.095	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	110.2485	0.076	2	109.3384	5.095	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H){1|Ir<6>,2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]2O[5])	110.0222	0.336	4	110.0222	0.113	4	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	110.2655	0.237	4	110.0638	0.149	6	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,2|C<4>,4|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.6605	0.298	2	110.0638	0.149	6	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]B[5,6])(H){1|B<4>,1|H<1>,2|N<3>,2|O<2>}	H(C[5]C[5]2O[5])	110.2220	0.000	1	110.2220	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<4>,2|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5]2O[5])	110.7220	0.000	2	110.7220	0.000	2	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	109.9375	0.419	2	109.5208	4.424	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	108.5150	3.871	3	109.5208	4.424	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.4200	0.214	2	109.5208	4.424	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	109.7135	0.353	2	109.5208	4.424	9	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	109.9040	0.362	2	110.0350	0.183	6	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2O[5])	110.4835	0.187	2	110.0350	0.183	6	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	109.7175	0.334	2	110.0350	0.183	6	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<5>,2|H<1>,5|C<4>}	H(C[5]C[5]2O[5])	108.7850	0.000	1	108.7850	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H){1|Ir<6>,2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,1|P<4>,3|C<4>}	H(C[5]C[5]2O[5])	109.1428	0.650	4	109.1428	0.423	4	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H){1|Ir<6>,2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)2(O[5]P[5])(H){1|Ir<6>,2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]2O[5])	109.1012	0.667	4	109.1012	0.444	4	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<5>,2|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	108.6490	0.000	1	108.6490	0.000	1	109.2424	2.934	145	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2S)	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H)	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H){1|O<2>,5|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	108.6775	0.614	2	108.6775	0.378	2	108.6775	0.378	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]C[6]O[5])	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]C[6]O[5])	106.7950	0.000	1	106.9945	0.080	2	106.9945	0.080	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]C[6]O[5])	107.1940	0.000	1	106.9945	0.080	2	106.9945	0.080	2	110.0327	2.801	974	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O[5])	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	109.9051	1.389	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH){1|N<3>,4|H<1>}	H(C[5]C[5]2O)	110.1660	0.028	2	110.1660	0.001	2	110.1660	0.001	2	109.9051	1.389	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	109.9051	1.389	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)2{3|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.0950	0.454	3	110.0950	0.206	3	110.0950	0.206	3	109.9051	1.389	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	H(C[5]C[5]2O)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	109.9051	1.389	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]O[5])	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	H(C[5]C[5,6]C[5]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]O[5])	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	107.0100	0.491	2	107.0100	0.241	2	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2O[5])	107.3823	1.055	3	107.3823	1.113	3	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	108.1735	0.412	2	108.1735	0.170	2	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	108.2630	0.000	2	108.2630	0.123	8	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	108.5955	0.084	2	108.2630	0.123	8	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	107.5160	0.000	1	108.2630	0.123	8	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	108.3335	0.247	2	108.2630	0.123	8	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	108.2040	0.000	1	108.2630	0.123	8	107.9079	0.506	15	108.1232	1.250	19	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H){2|C<3>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[3,5]C[5]O)	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[4]C[5]O[5])	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<2>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]N)	106.6250	0.000	1	106.6250	0.000	1	106.6250	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]O)	110.6855	2.944	4	110.6855	8.668	4	110.6855	8.668	4	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H){1|C<3>,1|N<3>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]O)	110.0110	1.335	2	110.0110	1.782	2	110.0110	1.782	2	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	112.4490	0.000	1	112.4490	0.000	1	112.4490	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]O[5])	109.4837	0.971	3	109.4837	0.944	3	109.4837	0.944	3	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H)	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]O)	110.1785	0.404	2	110.1785	0.163	2	110.1785	0.163	2	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5]-4:S-2:H-1:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H)	H(C[5]C[5,6,6]C[5]S)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]S)	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	104.9350	0.000	1	104.9350	0.000	1	104.9350	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H){1|H<1>,2|C<3>,2|C<4>,4|O<2>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|O<2>,7|C<4>}	H(C[5]C[5,6]C[5]O)	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H)	H(C[5]C[5]O[5]C)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	H(C[5]C[5]O[5]C)	110.8035	2.423	2	110.8035	5.872	2	110.8035	5.872	2	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2N)	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.6505	0.527	2	109.6505	0.278	2	109.8010	0.123	5	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	109.5990	0.000	1	109.8145	0.093	2	109.8010	0.123	5	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.0300	0.000	1	109.8145	0.093	2	109.8010	0.123	5	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2O)	110.0750	0.000	1	110.0750	0.000	1	109.8010	0.123	5	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.5180	0.000	1	111.2540	3.195	2	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.9900	0.000	1	111.2540	3.195	2	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	109.6080	0.088	2	109.6080	0.008	2	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	113.2300	0.000	1	113.2300	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H){4|H<1>}	H(C[5]C[5]2O)	111.2570	0.000	1	111.2570	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H){4|H<1>}	H(C[5]C[5]2O)	109.1190	0.000	1	109.1190	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H){4|H<1>}	H(C[5]C[5]2O)	110.9377	0.943	3	110.9377	0.889	3	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.6840	0.240	4	111.2194	1.123	5	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){4|H<1>}	H(C[5]C[5]2O)	109.3610	0.000	1	111.2194	1.123	5	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	109.4990	0.000	1	109.4990	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	108.9730	0.000	1	108.9730	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	108.9980	1.038	2	108.9980	1.078	2	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2O)	105.2760	0.000	1	105.2760	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2O)	113.5130	0.000	1	113.5130	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H){2|H<1>,2|O<1>}	H(C[5]C[5]2O)	110.5385	0.037	2	110.5385	0.001	2	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2O)	109.3790	0.000	1	109.3790	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.2810	0.000	1	110.2810	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.6960	1.209	2	111.0882	1.312	11	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.9531	1.160	9	111.0882	1.312	11	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2O)	112.4625	0.149	2	112.4625	0.022	2	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	108.3680	0.000	1	108.3680	0.000	1	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.7975	0.071	2	110.7975	0.005	2	110.6608	2.505	41	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){1|Br<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	108.0490	0.000	1	108.0490	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H){4|H<1>}	H(C[5]C[5]2O)	108.9670	0.000	1	108.9670	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	108.5640	0.000	1	108.5640	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2O)	111.0948	0.942	5	111.0948	0.887	5	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2O)	111.3950	0.000	1	111.3950	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	111.9080	0.000	1	111.9080	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.2510	0.000	1	111.2510	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.7100	0.082	2	111.7100	0.007	2	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H){2|H<1>}	H(C[5]C[5]2O)	111.1190	0.000	1	111.1190	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.2040	0.000	1	112.2040	0.000	1	110.8234	1.816	15	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2O)	107.8420	0.000	2	107.8420	0.000	2	107.9340	0.025	3	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2O)	108.1180	0.000	1	108.1180	0.000	1	107.9340	0.025	3	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H){4|H<1>}	H(C[5]C[5]2O)	114.2570	0.000	1	114.2570	0.000	1	111.6547	7.004	3	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.9660	0.000	1	108.9660	0.000	1	111.6547	7.004	3	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.7410	0.000	1	111.7410	0.000	1	111.6547	7.004	3	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2O)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2O[5])	110.4670	0.000	1	110.4670	0.000	1	109.5888	0.430	4	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	109.2960	0.362	3	109.2960	0.131	3	109.5888	0.430	4	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2O[5])	109.8420	0.000	1	109.8420	0.000	1	109.5892	0.225	4	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	109.5050	0.543	3	109.5050	0.295	3	109.5892	0.225	4	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Mn<4>,1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H){1|O<2>,1|O<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	111.4520	0.594	2	111.4520	0.353	2	111.4520	0.353	2	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	110.4360	0.000	1	110.4360	0.000	1	107.9892	9.048	11	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	108.7880	0.000	1	108.7880	0.000	1	107.9892	9.048	11	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	110.0255	0.920	2	109.1903	1.212	4	107.9892	9.048	11	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	108.3550	0.000	2	109.1903	1.212	4	107.9892	9.048	11	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	104.4037	3.991	3	106.3792	15.373	5	107.9892	9.048	11	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2O[5])	108.9140	0.000	1	106.3792	15.373	5	107.9892	9.048	11	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2O[5])	109.7710	0.000	1	106.3792	15.373	5	107.9892	9.048	11	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	109.4930	0.000	1	109.4930	0.000	1	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	108.9430	0.000	1	108.9430	0.000	1	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	108.6997	0.563	3	108.6997	0.317	3	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	109.5960	0.000	1	109.5960	0.000	1	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<4>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	108.8430	0.000	2	108.8430	0.000	2	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	109.3750	0.000	1	109.3750	0.000	1	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	108.5250	0.000	1	109.0815	0.619	2	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5]C[5]2O[5])	109.6380	0.000	1	109.0815	0.619	2	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2O[5])	108.8450	0.000	1	108.8450	0.000	1	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	107.8550	0.000	1	107.8550	0.000	1	108.9273	0.300	13	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Mn<4>,1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H){1|H<1>,1|O<3>,4|C<4>}	H(C[5]C[5]2O[5])	110.1265	0.120	2	110.1265	0.014	2	110.1265	0.014	2	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2S)	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	109.9160	3.549	127	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]O)	108.8213	0.096	3	108.8213	0.009	3	108.8213	0.009	3	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	H(C[5]C[5]2O)	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	110.1855	0.729	2	110.1855	0.531	2	110.1855	0.531	2	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH){4|H<1>}	H(C[5]C[5]2O)	106.0980	0.000	1	106.0980	0.000	1	109.0962	4.392	4	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.9840	0.000	1	110.9840	0.000	1	109.0962	4.392	4	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.6000	0.000	1	109.6000	0.000	1	109.0962	4.392	4	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.7030	0.000	1	109.7030	0.000	1	109.0962	4.392	4	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2O[5])	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	109.4198	1.780	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]H)(COO)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]H)(COO){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:4:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[3]C[3]O[3]C)(C[5]C[4]N[5]C)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]C)(C[5]C[4]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3]C[5]O[5])	107.7710	0.000	1	107.7710	0.000	1	107.7710	0.000	1	108.3692	1.311	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:4:	4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5,5]C[5]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]O[5])	107.4750	0.156	2	107.4750	0.024	2	107.4750	0.024	2	108.3692	1.311	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[3,3]-4:C[5]-4:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<2>,1|H<2>,3|C<3>,3|O<2>,4|H<1>}	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2O[5])	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	108.3692	1.311	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2O[5])	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	108.3692	1.311	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN){1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2O[5])	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.3692	1.311	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H)	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H){1|C<3>,2|C<4>}	H(C[5]C[3,5,6]C[5]O)	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[3,5]C[5]O[5])	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]O[5])	107.7827	0.664	3	107.7827	0.440	3	107.7827	0.440	3	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H)	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H){1|O<1>,4|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[3]C[5]O[5])	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[3]C[5]O[5])	110.2800	0.000	1	110.2800	0.000	1	110.3115	0.002	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[3]C[5]O[5])	110.3430	0.000	1	110.3430	0.000	1	110.3115	0.002	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[3]C[5]O[5])	110.7047	0.392	24	110.7047	0.154	24	110.7087	0.141	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[3]C[5]O[5])	110.7407	0.240	3	110.7407	0.057	3	110.7087	0.141	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[4,4,5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[4,4,5,6,6]C[5]O[5])	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	H(C[5]C[4,4,5,6,6]C[5]O[5])	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H){1|O<2>,6|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H){3|C<4>,4|O<2>}	H(C[5]C[5,5,6]C[5]O)	110.1130	0.000	1	110.1130	0.000	1	110.1130	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]O)	110.8070	0.419	2	110.8070	0.175	2	110.8070	0.175	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5,5,6]C[5]O[5])	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]O[5])	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]N)	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H){1|C<3>,4|C<4>}	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	H(C[5]C[5,5]C[5]O)	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]O)	111.6950	0.000	1	111.6950	0.000	1	109.3047	5.737	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]O)	107.1450	0.000	1	107.1450	0.000	1	109.3047	5.737	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]O)	111.3000	0.000	1	111.3000	0.000	1	109.3047	5.737	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]O)	107.1140	0.284	2	107.1140	0.081	2	109.3047	5.737	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]O)	111.4600	0.000	1	111.4600	0.000	1	109.3047	5.737	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.6210	0.000	1	110.1085	0.736	4	110.1085	0.736	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.4180	0.486	2	110.1085	0.736	4	110.1085	0.736	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.9770	0.000	1	110.1085	0.736	4	110.1085	0.736	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H){1|C<3>,1|O<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	106.3634	0.455	5	106.3634	0.207	5	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	109.2490	0.182	2	109.2490	0.033	2	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	110.4150	0.000	1	110.4150	0.000	1	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.5480	0.000	1	109.8290	1.034	2	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.1100	0.000	1	109.8290	1.034	2	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.8990	0.000	1	109.6820	0.094	2	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	109.4650	0.000	1	109.6820	0.094	2	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.4910	0.000	1	109.4910	0.000	1	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]O)	109.0440	0.000	1	109.0440	0.000	1	108.4491	2.859	14	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.8892	0.262	5	109.8892	0.069	5	109.8184	0.285	8	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	110.6870	0.000	1	109.7003	0.828	3	109.8184	0.285	8	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]O)	109.2070	0.443	2	109.7003	0.828	3	109.8184	0.285	8	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H)	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]S)	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H)	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H){1|N<3>,2|C<4>,3|H<1>}	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	110.2415	1.518	4	110.2415	2.304	4	110.2415	2.304	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H){4|H<1>}	H(C[5]C[5]2N)	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5]2O)	112.0560	0.000	1	112.0560	0.000	1	110.8564	2.072	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5]2O)	111.5660	0.000	1	111.5660	0.000	1	110.8564	2.072	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2O)	110.3650	0.000	1	110.3650	0.000	1	110.8564	2.072	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2O)	109.0340	0.000	1	109.0340	0.000	1	110.8564	2.072	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.0450	0.458	2	112.0450	0.210	2	110.8564	2.072	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H){1|H<1>,5|C<4>}	H(C[5]C[5]2O)	108.8840	0.000	1	108.8840	0.000	1	110.8564	2.072	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2O)	109.8195	0.375	2	109.8195	0.141	2	109.8195	0.141	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	110.2230	0.000	1	110.2085	0.000	2	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.1940	0.000	1	110.2085	0.000	2	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2O)	110.8830	0.000	1	110.8830	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	110.3580	0.132	2	110.3580	0.017	2	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.9140	0.000	1	109.9140	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2O)	111.4980	0.000	1	110.8225	0.913	2	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	110.1470	0.000	1	110.8225	0.913	2	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.5500	0.000	1	109.5500	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	108.9360	0.000	1	109.1717	0.054	3	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2O)	109.2895	0.158	2	109.1717	0.054	3	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	109.0670	0.000	1	109.0670	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2O)	106.9930	0.000	1	106.9930	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.1620	0.000	1	111.1620	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2O)	108.5820	0.000	1	108.5820	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	108.2230	0.000	1	108.2230	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	108.9490	0.000	1	108.9490	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.0810	0.000	1	109.0810	0.000	1	109.6156	1.186	19	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5]2O)	107.6320	0.000	1	107.6320	0.000	1	108.1940	0.632	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[5]C[5]2O)	108.7560	0.000	1	108.7560	0.000	1	108.1940	0.632	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F)	H(C[5]C[5]2O)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.6110	0.000	1	109.6110	0.000	1	110.1090	0.496	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F)	H(C[5]C[5]2O)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.6070	0.000	1	110.6070	0.000	1	110.1090	0.496	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	111.9985	0.366	2	111.9985	0.134	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	107.5140	0.000	1	107.5140	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	110.8890	0.000	1	110.8890	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.3513	0.993	3	111.3513	0.987	3	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.9700	0.000	1	111.9700	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.1760	0.000	1	109.1760	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	109.1680	0.000	1	109.1680	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.0145	0.158	2	110.0145	0.025	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.9820	0.000	1	110.9820	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	H(C[5]C[5]2O)	111.5270	0.000	1	111.5270	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H){4|H<1>}	H(C[5]C[5]2O)	111.1780	0.000	1	111.1780	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	H(C[5]C[5]2O)	111.3000	0.000	1	111.3000	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	109.0050	0.000	1	109.0050	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	108.3160	0.000	1	108.3160	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.0980	0.000	1	111.0980	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H){4|H<1>}	H(C[5]C[5]2O)	108.8870	0.000	1	108.8870	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2O)	110.8550	0.000	1	110.8550	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	111.0340	0.000	1	111.0340	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	112.7935	0.221	2	112.7935	0.049	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	110.1660	0.000	1	110.1660	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.4510	0.779	3	110.4510	0.606	3	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.1530	0.000	1	111.1530	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.0647	0.242	3	111.0647	0.058	3	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.5280	0.000	1	110.5280	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[5]C[5]2O)	109.4450	1.079	2	109.4450	1.164	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.1330	1.151	2	109.8983	0.828	3	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2O)	109.4290	0.000	1	109.8983	0.828	3	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2O)	114.8280	0.000	1	114.8280	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2O)	115.8500	0.000	1	115.8500	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.1705	0.545	2	112.1705	0.297	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.7900	0.000	1	110.7900	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.4970	0.250	2	109.4970	0.063	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.9690	0.000	1	109.9690	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.6718	0.637	13	111.6718	0.406	13	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.1880	0.000	1	112.1880	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.4942	0.349	4	111.4942	0.122	4	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	111.9240	0.000	1	111.9240	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	111.7556	0.577	15	111.4664	0.735	30	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2O)	111.6720	1.254	2	111.4664	0.735	30	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	110.9471	1.171	9	111.4664	0.735	30	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	111.4475	0.336	4	111.4664	0.735	30	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	112.4975	0.110	2	112.4975	0.012	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	108.4230	0.000	1	108.4230	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(ON)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(ON)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.0890	0.000	1	112.0890	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(ON)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(ON)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	112.0460	0.000	1	112.0460	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.7960	0.004	2	110.8483	0.008	3	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.9530	0.000	1	110.8483	0.008	3	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.8680	0.000	1	110.8680	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.9440	0.000	1	110.9440	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2O)	111.0310	0.000	1	110.6980	0.222	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	110.3650	0.000	1	110.6980	0.222	2	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2O)	110.5480	0.000	1	110.5480	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	110.9920	0.000	1	110.9920	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2O)	111.5930	0.000	1	111.5930	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2O)	110.5040	0.000	1	110.5040	0.000	1	111.1628	1.492	111	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2O)	112.5540	0.000	1	112.5540	0.000	1	110.0708	3.013	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]2O)	109.8490	0.000	1	109.8490	0.000	1	110.0708	3.013	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5]2O)	107.5160	0.000	1	107.5160	0.000	1	110.0708	3.013	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2O)	109.6690	0.000	1	109.6690	0.000	1	110.0708	3.013	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	110.4185	1.385	2	110.4185	1.919	2	110.0708	3.013	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	H(C[5]C[5]2O)	109.4578	0.181	4	109.4578	0.033	4	109.5450	2.351	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	H(C[5]C[5]2O)	108.9470	0.000	1	108.9470	0.000	1	109.5450	2.351	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	110.0185	3.630	2	110.0185	13.174	2	109.5450	2.351	7	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	113.1620	0.000	1	113.1620	0.000	1	111.2313	1.928	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	110.5140	0.000	1	110.5140	0.000	1	111.2313	1.928	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.9900	0.000	1	109.9900	0.000	1	111.2313	1.928	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.2590	0.000	1	111.2590	0.000	1	111.2313	1.928	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2O)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	109.8480	0.000	1	109.8480	0.000	1	109.9530	0.022	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	110.0580	0.000	1	110.0580	0.000	1	109.9530	0.022	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5]2O[5])	108.8820	0.000	1	108.8820	0.000	1	109.6040	0.273	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	109.8630	0.000	1	109.8630	0.000	1	109.6040	0.273	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	109.8355	0.350	2	109.8355	0.123	2	109.6040	0.273	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|H<1>,3|O<2>,6|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	108.3850	0.000	1	108.3850	0.000	1	108.6250	0.115	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	108.8650	0.000	1	108.8650	0.000	1	108.6250	0.115	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2O[5])	109.1537	0.226	3	108.9765	0.160	4	109.2840	0.323	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	108.4450	0.000	1	108.9765	0.160	4	109.2840	0.323	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5]2O[5])	109.8990	0.057	2	109.8990	0.003	2	109.2840	0.323	6	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	109.3267	0.306	3	109.3267	0.094	3	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	108.1610	0.000	1	108.1610	0.000	1	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	H(C[5]C[5]2O[5])	107.5480	0.000	1	107.5480	0.000	1	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	108.8710	0.734	2	108.8710	0.539	2	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	109.4697	0.608	3	109.1382	0.355	6	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	108.5260	0.000	1	109.1382	0.355	6	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O[5])	108.5860	0.000	1	109.1382	0.355	6	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	109.3080	0.000	1	109.1382	0.355	6	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2O[5])	109.2580	0.459	3	109.6714	0.830	5	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2O[5])	111.1910	0.000	1	109.6714	0.830	5	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	109.3920	0.000	1	109.6714	0.830	5	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	109.7520	0.000	1	109.6175	0.036	2	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	109.4830	0.000	1	109.6175	0.036	2	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2O[5])	108.9990	0.000	1	108.9990	0.000	1	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	108.1630	0.000	1	108.1630	0.000	1	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	106.9730	0.429	2	106.9730	0.184	2	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	108.4060	0.000	1	108.4060	0.000	1	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	109.4240	0.000	1	109.4240	0.000	1	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5]2O[5])	109.4740	0.000	1	109.4740	0.000	1	108.9727	0.846	27	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	107.5990	0.000	1	107.5990	0.000	1	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2O[5])	108.9900	0.088	2	108.9900	0.008	2	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2O[5])	112.6840	0.000	1	110.9510	6.007	2	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2O[5])	109.2180	0.000	1	110.9510	6.007	2	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	109.7390	0.000	1	109.3422	0.998	8	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	108.5060	0.000	1	109.3422	0.998	8	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	110.2630	1.773	2	109.3422	0.998	8	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2O[5])	109.4480	0.000	1	109.3422	0.998	8	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2O[5])	108.9335	0.682	2	109.3422	0.998	8	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2O[5])	108.6520	0.000	1	109.3422	0.998	8	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[5]C[5]2O[5])	108.2920	0.000	1	108.2920	0.000	1	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.4280	0.140	2	109.4280	0.020	2	109.3354	1.507	16	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]C[6]O[5])	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:P-4:O[5]-2:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(PC[6a]BC)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H)	H(C[5]C[5]O[5]P)	C[5](C[5]C[5]HP)(PC[6a]BC)(O[5]N[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H){3|C<3>}	H(C[5]C[5]O[5]P)	106.8605	0.303	2	106.8605	0.092	2	106.8605	0.092	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]S)	108.5650	0.000	1	109.3485	1.228	2	109.3485	1.228	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){3|C<3>}	H(C[5]C[5]O[5]S)	110.1320	0.000	1	109.3485	1.228	2	109.3485	1.228	2	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]C[6]O[5])	108.8460	0.000	1	108.8460	0.000	1	108.7425	2.016	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]C[6]O[5])	108.7080	1.737	3	108.7080	3.017	3	108.7425	2.016	4	110.1524	2.217	312	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[3]C[5]O[5])	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H){1|O<2>,6|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){3|C<4>,4|O<2>}	H(C[5]C[5,5,6]C[5]O)	107.8250	0.000	1	107.8250	0.000	1	107.7585	0.009	2	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	H(C[5]C[5,5,6]C[5]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H){1|O<2>,6|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5,5,6]C[5]O)	107.6920	0.000	1	107.6920	0.000	1	107.7585	0.009	2	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[5,5]C[5]O)	107.2850	0.000	1	107.2850	0.000	1	107.7305	0.397	2	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]O)	108.1760	0.000	1	108.1760	0.000	1	107.7305	0.397	2	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	108.2947	0.138	4	108.2947	0.019	4	108.1204	0.166	5	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]O)	107.4230	0.000	1	107.4230	0.000	1	108.1204	0.166	5	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]O)	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	H(C[5]C[5]2N)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	H(C[5]C[5]2N)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H){1|S<4>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH){2|C<4>,4|H<1>}	H(C[5]C[5]2O)	105.0880	0.000	1	105.0880	0.000	1	105.0880	0.000	1	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(C[5]C[5]2O)	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2O)	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O)	111.9520	0.000	1	111.9520	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	111.3723	0.968	3	111.3723	0.937	3	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.1360	0.000	1	109.1360	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	109.2960	0.000	1	109.2960	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2O)	107.7220	0.000	1	107.7220	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	H(C[5]C[5]2O)	109.4110	0.000	1	109.4110	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	110.4990	0.000	1	110.4990	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){2|C<4>}	H(C[5]C[5]2O)	110.7380	0.000	1	110.7380	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	109.6377	0.790	3	109.6377	0.623	3	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	H(C[5]C[5]2O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2O)	111.6780	0.000	1	111.6780	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH)	H(C[5]C[5]2O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH){1|H<1>,1|N<3>}	H(C[5]C[5]2O)	110.5260	0.000	1	110.5260	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	108.1690	0.223	2	108.1690	0.050	2	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2O)	108.1450	0.000	1	108.1450	0.000	1	109.9151	1.983	18	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	H(C[5]C[5]2O)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	104.4650	0.000	1	104.4650	0.000	1	106.9355	3.523	4	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	106.5120	0.000	1	106.5120	0.000	1	106.9355	3.523	4	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	108.6050	0.000	1	108.6050	0.000	1	106.9355	3.523	4	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2O[5])	108.1600	0.000	1	108.1600	0.000	1	106.9355	3.523	4	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2O[5])	107.6203	0.531	3	107.6203	0.282	3	107.4830	0.264	4	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2O[5])	107.0710	0.000	1	107.0710	0.000	1	107.4830	0.264	4	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]2O[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5]2O[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<2>,6|C<4>,8|H<1>}	H(C[5]C[5]2O[5])	108.6442	0.289	10	108.6442	0.084	10	108.6442	0.084	10	108.8328	2.466	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	111.2764	4.651	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO){4|H<1>}	H(C[5]C[5]2O)	111.6640	0.139	3	111.6640	0.019	3	112.1600	0.997	4	111.2764	4.651	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO){1|S<4>,2|H<1>}	H(C[5]C[5]2O)	113.6480	0.000	1	113.6480	0.000	1	112.1600	0.997	4	111.2764	4.651	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]O)	110.2293	0.762	8	110.4369	0.594	12	110.4369	0.594	12	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]O)	110.2645	0.235	2	110.4369	0.594	12	110.4369	0.594	12	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]O)	111.4400	0.040	2	110.4369	0.594	12	110.4369	0.594	12	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]O)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]O)	111.9160	0.821	5	111.9160	0.673	5	111.8442	0.570	6	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	H(C[5]C[5,6,6]C[5]O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]O)	111.4850	0.000	1	111.4850	0.000	1	111.8442	0.570	6	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]O)	110.3180	0.000	1	110.3180	0.000	1	109.0140	0.756	4	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]HO)2(CH3)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)2{1|Cr<9>,2|C<4>}	H(C[5]C[5,6]C[5]O)	108.5860	0.000	1	108.5860	0.000	1	109.0140	0.756	4	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OSi)(H)	C[5](C[5]C[5,6]HO)2(CH3)2	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)2{1|Cr<9>,2|C<4>}	H(C[5]C[5,6]C[5]O)	108.5450	0.000	1	108.5450	0.000	1	109.0140	0.756	4	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]O)	108.6070	0.000	1	108.6070	0.000	1	109.0140	0.756	4	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2O)	109.8775	0.354	2	109.8775	0.126	2	109.5167	0.453	3	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2O)	108.7950	0.000	1	108.7950	0.000	1	109.5167	0.453	3	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5]2O)	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2O)	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)2(CCHH)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(CCHH)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.9150	0.000	1	110.9150	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(C[5]C[5]2O)	113.1200	0.000	2	113.1200	0.000	2	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	111.7770	0.000	1	111.7770	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2{4|H<1>}	H(C[5]C[5]2O)	109.1370	0.000	1	109.1370	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(CCHH)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(CCHH)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.5280	0.000	1	110.5280	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	108.8905	0.046	2	108.8905	0.002	2	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){4|H<1>}	H(C[5]C[5]2O)	107.8850	0.000	1	107.8850	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3){1|O<2>,3|H<1>}	H(C[5]C[5]2O)	109.2430	0.000	1	109.2430	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	H(C[5]C[5]2O)	108.6774	0.726	5	109.5132	1.435	9	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,3|H<1>}	H(C[5]C[5]2O)	110.5580	0.709	4	109.5132	1.435	9	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,3|H<1>}	H(C[5]C[5]2O)	108.1080	0.000	1	108.1080	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3){4|H<1>}	H(C[5]C[5]2O)	111.5840	0.000	1	111.5840	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(C[5]C[5]2O)	108.5710	0.000	1	108.8850	0.197	2	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(C[5]C[5]2O)	109.1990	0.000	1	108.8850	0.197	2	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	109.1580	0.000	1	108.8694	3.472	5	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	107.9363	1.564	3	108.8694	3.472	5	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2O)	111.3800	0.000	1	108.8694	3.472	5	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2O)	108.5280	0.000	1	108.5280	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2O)	112.5070	0.000	1	112.5070	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]2O)	111.1320	0.000	1	111.1320	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	108.8390	0.000	1	108.8390	0.000	1	109.7481	2.700	32	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3)	H(C[5]C[5]2O)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2O)	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5]2O[5])	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2O[5])	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:S[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	H(C[5]C[5]S[5]O)	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>,2|O<1>}	H(C[5]C[5]S[5]O)	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.9209	2.198	64	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:2:1:	5:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|C<5>,2|C<3>,5|B<6>,7|H<1>}	H(C[5]C[5]2O)	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]3)	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,4|H<1>,6|C<3>}	H(C[5]C[5]3)	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	H(C[5]C[5]2C)	106.9230	0.000	1	106.9230	0.000	1	108.1730	0.827	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H){6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	107.5450	0.922	2	107.5450	0.850	2	108.1730	0.827	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H){6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.8250	0.304	3	108.8250	0.093	3	108.1730	0.827	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H){4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.7230	0.000	1	108.7230	0.000	1	108.1730	0.827	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.7800	0.000	1	106.7800	0.000	1	107.9160	2.581	2	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.0520	0.000	1	109.0520	0.000	1	107.9160	2.581	2	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.0250	0.000	1	109.0250	0.000	1	108.9393	0.237	3	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.8965	0.681	2	108.8965	0.464	2	108.9393	0.237	3	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.3180	0.000	1	108.3180	0.000	1	109.1434	1.437	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.2350	0.000	1	109.2350	0.000	1	109.1434	1.437	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2C)	110.8150	0.229	2	110.8150	0.052	2	109.1434	1.437	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.2737	0.100	3	108.2737	0.010	3	109.1434	1.437	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H){6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5]2C)	107.5725	1.030	2	107.5725	1.061	2	108.5689	1.197	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H){6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5]2C)	108.6000	0.000	1	108.7583	0.068	3	108.5689	1.197	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H){6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5]2C)	108.8375	0.313	2	108.7583	0.068	3	108.5689	1.197	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H){1|N<3>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2C)	110.4800	0.000	1	110.4800	0.000	1	108.5689	1.197	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H){4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.0820	0.000	1	108.0820	0.000	1	108.5689	1.197	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H){1|S<2>,4|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2C)	112.3870	0.000	1	112.3870	0.000	1	109.7813	2.768	10	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.6140	0.000	1	108.6140	0.000	1	109.7813	2.768	10	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5]2C)	111.1445	0.436	2	109.3805	3.065	6	109.7813	2.768	10	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5]2C)	108.2480	0.000	1	109.3805	3.065	6	109.7813	2.768	10	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	H(C[5]C[5]2C)	108.5820	1.691	3	109.3805	3.065	6	109.7813	2.768	10	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H){5|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2C)	110.2690	0.000	1	110.2690	0.000	1	109.7813	2.768	10	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2C)	110.2600	0.000	1	110.2600	0.000	1	109.7813	2.768	10	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H){1|H<1>,2|C<4>,8|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[5]C[5]3)	109.1420	1.045	2	109.1420	1.092	2	109.1420	1.092	2	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	H(C[5]C[6a]C[5]2)	105.5670	0.000	1	105.5670	0.000	1	106.4465	1.547	2	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.3260	0.000	1	107.3260	0.000	1	106.4465	1.547	2	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	H(C[5]C[6a]C[5]2)	104.8670	0.000	1	104.8670	0.000	1	104.8670	0.000	1	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){2|C<4>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]2N)	106.7710	0.000	1	106.7710	0.000	1	106.7710	0.000	1	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H){1|O<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2N)	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2N)	109.4790	1.002	5	109.3620	0.885	6	109.3509	0.739	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2N)	108.7770	0.000	1	109.3620	0.885	6	109.3509	0.739	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H){1|N<2>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2N)	109.2840	0.000	1	109.2840	0.000	1	109.3509	0.739	7	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H){5|C<3>}	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]2N)	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	108.7734	2.090	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:S[5]-2:	C[5]-4:	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5])	H(C[5]C[5]2C)	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5]2C)	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	107.8347	0.451	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	107.8347	0.451	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5])	H(C[5]C[5]2N)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5]2N)	108.2115	0.135	2	108.2115	0.018	2	108.2115	0.018	2	107.8347	0.451	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	H(C[5]C[5]3)	109.7280	0.000	1	109.7280	0.000	1	108.4710	2.320	3	109.6928	3.990	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<2>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]C[5]3)	108.9080	0.000	1	108.9080	0.000	1	108.4710	2.320	3	109.6928	3.990	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]3)	106.7770	0.000	1	106.7770	0.000	1	108.4710	2.320	3	109.6928	3.990	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H){2|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H){6|C<3>,6|H<1>}	H(C[5]C[5]2N)	111.5255	0.349	2	111.5255	0.122	2	111.5255	0.122	2	109.6928	3.990	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN)	H(C[5]C[5]2N)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN){1|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5]2N)	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]C)	107.5530	0.000	1	107.5530	0.000	1	108.2076	0.702	5	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]C)	109.6760	0.000	1	109.6760	0.000	1	108.2076	0.702	5	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]C)	107.9363	0.034	3	107.9363	0.001	3	108.2076	0.702	5	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	107.5770	0.000	1	107.5770	0.000	1	108.4163	0.620	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	109.1390	0.000	1	109.1390	0.000	1	108.4163	0.620	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	108.5330	0.000	1	108.5330	0.000	1	108.4163	0.620	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]2)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCO)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCO)(H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|C<4>}	H(C[5]C[5]2C)	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2C)	106.9170	0.000	1	106.9170	0.000	1	107.4770	0.627	2	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H){4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.0370	0.000	1	108.0370	0.000	1	107.4770	0.627	2	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(COO)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(COO)(H){2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.4080	0.008	2	109.4080	0.000	2	109.4080	0.000	2	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6435	0.620	2	108.6435	0.385	2	108.7473	0.225	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.9550	0.000	1	108.9550	0.000	1	108.7473	0.225	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2C)	107.8243	0.176	4	107.8243	0.031	4	107.8243	0.031	4	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	106.8530	0.000	1	106.8530	0.000	1	107.7415	0.463	4	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	108.0377	0.410	3	108.0377	0.168	3	107.7415	0.463	4	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H){2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	105.4660	0.000	1	105.4660	0.000	1	105.4660	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H){1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.8720	0.000	1	107.8720	0.000	1	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<1>}	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5]2C)	106.0070	0.000	1	106.0070	0.000	1	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.2840	0.000	1	107.2840	0.000	1	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	111.6400	0.000	1	111.6400	0.000	1	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<2>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.7890	0.000	1	109.9435	0.048	2	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.0980	0.000	1	109.9435	0.048	2	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.4380	0.000	1	110.4380	0.000	1	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2C)	107.0190	0.000	1	107.0190	0.000	1	108.7684	3.934	8	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]3)	107.3350	0.000	1	107.3350	0.000	1	107.3340	0.000	2	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	107.3330	0.000	1	107.3330	0.000	1	107.3340	0.000	2	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5]3)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.4610	0.000	1	108.4610	0.000	1	108.5947	0.014	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.6860	0.000	1	108.6860	0.000	1	108.5947	0.014	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.6370	0.000	1	108.6370	0.000	1	108.5947	0.014	3	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	105.4610	0.000	1	105.4610	0.000	1	105.4610	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.2380	0.000	1	107.2380	0.000	1	107.1921	0.906	9	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	106.9675	0.066	2	106.9675	0.004	2	107.1921	0.906	9	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4610	2.514	2	107.4610	6.323	2	107.1921	0.906	9	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.5420	0.000	1	107.0143	0.210	3	107.1921	0.906	9	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.7110	0.000	1	107.0143	0.210	3	107.1921	0.906	9	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.7900	0.000	1	107.0143	0.210	3	107.1921	0.906	9	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.5910	0.000	1	107.5910	0.000	1	107.1921	0.906	9	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.7660	0.768	2	108.7660	0.590	2	108.7660	0.590	2	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2N)	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2N)	108.0250	0.000	1	108.0250	0.000	1	108.0250	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H){1|C<4>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2N)	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2N[5])	109.6157	2.755	4	109.6157	7.590	4	109.6157	7.590	4	108.1427	1.907	59	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.0140	0.000	1	109.0140	0.000	1	108.7677	0.250	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6445	0.640	2	108.6445	0.410	2	108.7677	0.250	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2243	0.411	3	109.2243	0.169	3	109.2243	0.169	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H){1|S<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){1|B<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.2840	0.000	1	110.2840	0.000	1	110.0190	0.828	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.7670	0.000	1	109.8865	1.551	2	110.0190	0.828	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){3|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.0060	0.000	1	109.8865	1.551	2	110.0190	0.828	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H){6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.8620	0.000	1	109.8620	0.000	1	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	H(C[5]C[5]2C)	110.3820	0.000	1	110.3820	0.000	1	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.6046	1.104	5	109.6046	1.218	5	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.7350	0.355	2	109.7395	0.055	4	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.7440	0.199	2	109.7395	0.055	4	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.9660	0.000	1	109.9660	0.000	1	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.7560	0.000	1	109.7560	0.000	1	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	107.2060	0.000	1	107.2060	0.000	1	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	111.9340	0.000	1	111.9340	0.000	1	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]ReH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]ReH)(CCO)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.7080	0.000	1	107.7080	0.000	1	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.4680	0.049	2	110.1797	0.251	3	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.6030	0.000	1	110.1797	0.251	3	109.7018	1.224	19	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.6900	0.000	1	108.6900	0.000	1	108.6893	0.785	4	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.7550	0.000	1	108.6705	2.352	2	108.6893	0.785	4	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){3|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.5860	0.000	1	108.6705	2.352	2	108.6893	0.785	4	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.7260	0.000	1	108.7260	0.000	1	108.6893	0.785	4	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|O<1>,2|H<1>,8|C<4>}	H(C[5]C[5]3)	109.6160	0.000	1	109.5365	0.013	2	109.5365	0.013	2	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	H(C[5]C[5]3)	109.4570	0.000	1	109.5365	0.013	2	109.5365	0.013	2	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H){3|H<1>,5|C<3>}	H(C[5]C[5]2N)	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	H(C[5]C[5]2N)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){3|H<1>,4|C<3>}	H(C[5]C[5]2N)	110.4370	0.000	1	110.4370	0.000	1	109.7927	0.947	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.6730	0.000	1	108.6730	0.000	1	109.7927	0.947	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	110.2680	0.000	1	110.2680	0.000	1	109.7927	0.947	3	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5]2N)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[5]C[5]2N)	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	H(C[5]C[5]2N)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5]2N)	111.7380	0.795	2	111.7380	0.632	2	111.7380	0.632	2	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2S)	109.7550	0.027	2	109.7550	0.001	2	109.7550	0.001	2	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5]C[5]2S)	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]C[6]N[5])	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	109.6481	1.378	48	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2{3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	108.0180	0.289	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5,6]-3:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(NCH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2	H(C[5]C[5]2N)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(NCH)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2{2|C<3>,4|H<1>}	H(C[5]C[5]2N)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	108.0180	0.289	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:S[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3){1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.9050	0.000	1	107.9050	0.000	1	108.6456	0.171	5	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.8307	0.010	4	108.8307	0.000	4	108.6456	0.171	5	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.5970	0.000	1	108.5970	0.000	1	108.4698	0.123	8	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.2390	0.000	2	108.2390	0.000	2	108.4698	0.123	8	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.5440	0.000	1	108.8057	0.080	3	108.4698	0.123	8	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.9365	0.240	2	108.8057	0.080	3	108.4698	0.123	8	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.2220	0.000	1	108.2220	0.000	1	108.4698	0.123	8	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.0440	0.000	1	108.0440	0.000	1	108.4698	0.123	8	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H){1|N<2>,1|N<3>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H){2|N<2>,4|C<3>}	H(C[5]C[5,5]C[5]C)	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H){1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|S<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]2)	106.3950	0.000	1	107.3783	2.075	3	107.3783	2.075	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]2)	107.8700	1.643	2	107.3783	2.075	3	107.3783	2.075	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6210	0.693	2	108.6210	0.480	2	108.6210	0.480	2	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CNO)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CNO)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(COO)(H){1|C<4>,3|C<3>}	H(C[5]C[5]2C)	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.0710	0.000	1	110.0710	0.000	1	110.4665	0.313	2	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.8620	0.000	1	110.8620	0.000	1	110.4665	0.313	2	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.4570	0.000	1	109.4570	0.000	1	111.8385	15.616	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.1245	0.183	2	110.1245	0.034	2	111.8385	15.616	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2C)	119.6820	0.000	1	119.6820	0.000	1	111.8385	15.616	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	112.0280	0.000	1	112.0280	0.000	1	111.8385	15.616	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H){2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]2C)	109.6150	0.000	1	109.6150	0.000	1	111.8385	15.616	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	106.0080	0.000	1	106.0080	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.1250	0.000	1	108.0710	0.006	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.0170	0.000	1	108.0710	0.006	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.8630	0.669	2	108.6923	0.913	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.5215	1.474	2	108.6923	0.913	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.6550	0.000	1	108.6550	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.2120	0.551	3	109.2120	0.303	3	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.5150	0.000	1	109.5150	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]2C)	109.5225	0.650	2	109.5225	0.422	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.6720	0.456	4	109.6720	0.208	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	110.5910	0.000	2	110.5910	0.000	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.4220	0.731	3	109.4220	0.534	3	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2C)	107.6950	0.905	3	108.4595	2.884	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.7530	0.000	1	108.4595	2.884	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	110.0310	0.000	1	108.9870	2.180	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.9430	0.000	1	108.9870	2.180	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	111.5770	0.000	1	111.5770	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.5689	1.078	10	108.3725	1.469	11	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.4080	0.000	1	108.3725	1.469	11	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|P<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	110.1280	0.000	1	110.6265	0.497	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	111.1250	0.000	1	110.6265	0.497	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.6335	0.405	2	110.0018	0.612	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2C)	110.3700	1.062	2	110.0018	0.612	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.8250	0.265	4	110.8250	0.070	4	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.9900	0.000	1	108.9900	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.7950	0.000	1	107.7950	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<3>,1|N<2>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.3950	0.000	1	108.3950	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.0400	0.000	1	109.0400	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.9610	0.000	1	109.9610	0.000	1	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.0405	0.747	2	110.0405	0.559	2	109.2106	1.592	58	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H){4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.1710	0.000	1	108.1710	0.000	1	108.9787	1.564	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2C)	109.3825	1.466	2	109.3825	2.149	2	108.9787	1.564	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7580	0.000	1	107.7580	0.000	1	108.1407	1.761	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.6170	0.000	1	109.6170	0.000	1	108.1407	1.761	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.0470	0.000	1	107.0470	0.000	1	108.1407	1.761	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]3)	109.0360	0.000	1	108.9133	0.064	3	108.9133	0.064	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]3)	108.8520	0.325	2	108.9133	0.064	3	108.9133	0.064	3	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	H(C[5]C[6a]C[5]2)	104.4980	0.000	1	104.4980	0.000	1	104.4980	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.3520	0.000	1	107.3520	0.000	1	107.8795	0.557	2	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.4070	0.000	1	108.4070	0.000	1	107.8795	0.557	2	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.4610	0.463	3	107.2235	0.369	4	107.1217	0.246	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	106.5110	0.000	1	107.2235	0.369	4	107.1217	0.246	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.9180	0.016	2	106.9180	0.000	2	107.1217	0.246	6	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H){3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4250	2.551	2	107.4250	6.509	2	107.4250	6.509	2	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|S<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6030	0.441	2	107.6030	0.195	2	107.6030	0.195	2	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	110.6697	2.280	4	110.6697	5.201	4	109.1492	4.481	9	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	109.5810	0.000	1	109.5810	0.000	1	109.1492	4.481	9	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2N)	107.7990	0.000	1	107.5190	0.157	2	109.1492	4.481	9	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2N)	107.2390	0.000	1	107.5190	0.157	2	109.1492	4.481	9	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2N)	107.5225	0.214	2	107.5225	0.046	2	109.1492	4.481	9	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2N)	109.7970	0.000	1	109.7970	0.000	1	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2N)	109.4040	0.000	1	109.4040	0.000	1	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2N)	108.0570	0.000	1	108.5597	0.193	3	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2N)	108.8110	0.085	2	108.5597	0.193	3	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2N)	108.9360	0.000	1	107.8300	2.446	2	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2N)	106.7240	0.000	1	107.8300	2.446	2	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2N)	110.1810	0.000	1	111.0625	1.554	2	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2N)	111.9440	0.000	1	111.0625	1.554	2	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2N)	109.6920	0.000	1	109.6920	0.000	1	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2N)	109.8150	0.000	1	109.8150	0.000	1	109.2884	1.724	11	108.9170	3.024	136	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	107.5550	0.579	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]3)	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	107.5550	0.579	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO){1|N<3>,3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	106.8342	7.875	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	H(C[5]C[6a]C[5]2)	105.5280	0.000	1	105.5280	0.000	1	104.9670	0.270	3	106.8342	7.875	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	H(C[5]C[6a]C[5]2)	104.5020	0.000	1	104.5020	0.000	1	104.9670	0.270	3	106.8342	7.875	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	H(C[5]C[6a]C[5]2)	104.8710	0.000	1	104.8710	0.000	1	104.9670	0.270	3	106.8342	7.875	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH){3|C<3>,5|H<1>}	H(C[5]C[5]2N)	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	106.8342	7.875	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]3)	109.0710	0.000	1	109.0710	0.000	1	108.6197	0.228	3	107.6592	1.217	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]3)	108.1190	0.000	1	108.3940	0.151	2	108.6197	0.228	3	107.6592	1.217	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]3)	108.6690	0.000	1	108.3940	0.151	2	108.6197	0.228	3	107.6592	1.217	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.6170	0.000	1	106.6170	0.000	1	106.6987	0.047	3	107.6592	1.217	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.7395	0.291	2	106.7395	0.084	2	106.6987	0.047	3	107.6592	1.217	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H){1|N<3>,2|C<3>,2|S<2>}	H(C[5]C[5,5]C[5]C)	107.6890	0.000	2	107.6890	0.000	2	107.6890	0.000	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.4590	0.648	2	108.4590	0.420	2	108.4590	0.420	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	H(C[5]C[5,5]C[5]C)	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]2)	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	111.3890	0.000	1	111.3890	0.000	1	111.3890	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:B[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	H(C[5]B[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5]B[5]C[5]2)	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	B[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,2|N<3>,3|C<3>}	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	105.5090	0.000	1	105.5090	0.000	1	107.9865	12.276	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2C)	110.4640	0.000	1	110.4640	0.000	1	107.9865	12.276	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.6495	0.627	2	108.6495	0.393	2	108.7222	0.700	9	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.9940	0.000	1	108.9940	0.000	1	108.7222	0.700	9	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2653	0.435	3	109.2653	0.189	3	108.7222	0.700	9	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.7975	0.460	2	108.7975	0.212	2	108.7222	0.700	9	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	106.8160	0.000	1	106.8160	0.000	1	108.7222	0.700	9	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.7910	0.348	2	108.7910	0.121	2	108.7910	0.121	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.1610	0.000	1	109.1610	0.000	1	109.3320	0.058	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H){2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.5030	0.000	1	109.5030	0.000	1	109.3320	0.058	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.6595	0.149	2	108.6595	0.022	2	108.6595	0.022	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<2>,2|C<2>,2|C<3>}	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.4710	0.601	2	108.4710	0.361	2	108.4710	0.361	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	105.8980	0.000	1	105.8980	0.000	1	105.8980	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.2760	0.000	1	109.2760	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.0950	0.000	1	107.0950	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|C<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.4210	0.000	1	108.2500	0.058	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.0790	0.000	1	108.2500	0.058	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.9230	0.000	1	108.9230	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.2710	0.000	1	109.2710	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H){2|C<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.2300	1.568	2	109.2300	2.460	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.1200	0.000	1	109.1200	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	111.7700	0.000	1	111.7700	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.7060	0.000	1	109.7060	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.2837	0.296	3	109.1418	0.139	4	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.7160	0.000	1	109.1418	0.139	4	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	110.6320	0.000	1	109.2025	1.287	4	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.3015	0.235	2	109.2025	1.287	4	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.5750	0.000	1	109.2025	1.287	4	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.8300	0.007	2	108.8300	0.000	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.1530	0.000	1	108.1530	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.7340	0.000	1	109.3695	3.724	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.0050	0.000	1	109.3695	3.724	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.4660	1.396	2	108.4660	1.948	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.6900	0.000	1	108.6900	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.1593	0.564	3	109.1593	0.318	3	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.5390	0.000	1	109.5390	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.1530	0.000	1	107.0465	0.023	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2C)	106.9400	0.000	1	107.0465	0.023	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.3180	0.000	1	109.3180	0.000	1	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	103.3560	0.000	1	106.8800	24.837	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.4040	0.000	1	106.8800	24.837	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)2(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)2(CC[6a]O)(H){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.4965	0.036	2	110.4965	0.001	2	108.9172	2.012	38	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2C)	110.8645	0.224	2	110.8645	0.050	2	110.8645	0.050	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	110.4520	0.075	2	110.4520	0.006	2	109.5860	2.253	3	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.8540	0.000	1	107.8540	0.000	1	109.5860	2.253	3	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2C)	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.2110	0.000	1	107.2110	0.000	1	107.3775	0.156	4	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.9130	0.000	1	106.9130	0.000	1	107.3775	0.156	4	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6930	0.164	2	107.6930	0.027	2	107.3775	0.156	4	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2N)	106.7810	0.000	1	106.7810	0.000	1	106.7810	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.2070	0.000	1	108.2070	0.000	1	109.5887	1.432	3	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)2(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]CH)2(NOO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2N)	110.2890	0.000	1	110.2890	0.000	1	109.5887	1.432	3	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)2(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]CH)2(NOO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2N)	110.2700	0.000	1	110.2700	0.000	1	109.5887	1.432	3	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2N)	109.7405	0.626	4	109.7405	0.391	4	109.7405	0.391	4	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H){2|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2N)	110.4900	0.793	2	110.4900	0.629	2	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]2N)	111.1870	0.000	1	111.1870	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2N)	110.7450	0.047	3	110.8010	0.014	4	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2N)	110.9690	0.000	1	110.8010	0.014	4	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2N)	110.2300	0.000	1	110.2300	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.5580	0.000	1	108.5580	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	109.1940	0.000	1	109.1940	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2N)	108.6280	0.000	1	108.6280	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|P<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2N)	109.1650	0.000	1	109.1650	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2N)	110.6970	0.000	1	110.6970	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2N)	109.4000	0.000	1	109.4000	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.0930	0.000	1	108.2624	0.884	5	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2N)	108.7955	0.036	2	108.2624	0.884	5	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2N)	107.8140	1.592	2	108.2624	0.884	5	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2N)	111.3540	0.000	1	111.3540	0.000	1	109.6955	1.576	20	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5,6]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H)	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[5]C[5]2N)	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,4|C<3>}	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2N)	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]N[5]C)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:S[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H)	H(C[5]C[5]S[5]C)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5]S[5]C)	108.8065	0.630	2	108.8065	0.397	2	108.8065	0.397	2	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	H(C[5]C[6a]Si[5]C[5])	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	H(C[5]C[6a]Si[5]C[5])	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	108.9755	1.879	117	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.2990	0.000	1	110.2990	0.000	1	108.3027	1.331	7	108.4359	1.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.8310	0.000	1	108.8310	0.000	1	108.3027	1.331	7	108.4359	1.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.7870	0.000	1	108.7870	0.000	1	108.3027	1.331	7	108.4359	1.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.9590	0.000	1	106.9590	0.000	1	108.3027	1.331	7	108.4359	1.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	H(C[5]C[5]2C)	108.0960	0.171	2	108.0960	0.029	2	108.3027	1.331	7	108.4359	1.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.0510	0.000	1	107.0510	0.000	1	108.3027	1.331	7	108.4359	1.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	H(C[5]C[5]2N)	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	108.4359	1.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CC)(COO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CC)(COO)(H){1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2C)	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.6863	0.760	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO)	H(C[5]C[5]2C)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H){2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO){2|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.7830	0.000	1	109.7830	0.000	1	109.0795	0.990	2	108.6863	0.760	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]2C)	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,2|N<2>,3|H<1>}	H(C[5]C[5]2C)	108.3760	0.000	1	108.3760	0.000	1	109.0795	0.990	2	108.6863	0.760	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]2C)	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2C)	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	108.6863	0.760	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3){3|C<3>,4|H<1>}	H(C[5]C[5]2N)	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	107.7375	5.285	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	3:4:4:4:	4:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2{3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	106.1120	0.000	1	106.1120	0.000	1	106.1120	0.000	1	107.7375	5.285	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[3]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2	H(C[5]C[3]C[5]N[5])	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H){4|C<4>}	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[3]C[5]N[5])	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:Cl-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]C)	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]C)	108.6840	0.543	3	108.6840	0.294	3	108.6840	0.294	3	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(COO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.7455	0.463	2	109.7455	0.215	2	109.6795	0.413	4	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(COO)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	110.3230	0.000	1	110.3230	0.000	1	109.6795	0.413	4	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCH)(H){2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]C)	108.9040	0.000	1	108.9040	0.000	1	109.6795	0.413	4	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(NCH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]N)	115.1260	0.000	1	115.1260	0.000	1	115.1260	0.000	1	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]N[5])	110.8135	0.499	8	110.8135	0.249	8	110.8135	0.249	8	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:P-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]P)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]P)	109.3427	0.240	3	109.3427	0.058	3	109.3427	0.058	3	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]C)	109.3865	1.283	2	109.3865	1.647	2	108.6907	0.863	7	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.2690	0.000	1	108.5010	0.607	3	108.6907	0.863	7	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.1170	0.574	2	108.5010	0.607	3	108.6907	0.863	7	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]C)	108.9520	0.000	1	108.9520	0.000	1	108.6907	0.863	7	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	107.6070	0.000	1	107.6070	0.000	1	108.6907	0.863	7	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,6]C[5]N)	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]C)	110.5980	0.000	1	110.5980	0.000	1	110.1495	0.402	2	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	109.7010	0.000	1	109.7010	0.000	1	110.1495	0.402	2	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.9440	0.000	1	107.9440	0.000	1	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.0388	0.742	5	109.0388	0.551	5	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.6370	0.000	1	109.6370	0.000	1	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7660	0.567	2	107.7660	0.322	2	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	106.6340	0.000	1	106.6415	0.000	2	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2C)	106.6490	0.000	1	106.6415	0.000	2	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	108.3890	0.000	1	108.3890	0.000	1	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]N[6a]C[5]C)(C[5]O[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	107.6820	0.000	1	107.6820	0.000	1	108.2816	1.136	13	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)2(COO)(H)	C[5](C[5]C[5]CH)(S[5]S[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]S[5]HH)2(COO)(H)	C[5](C[5]C[5]CH)(S[5]S[5])(H)2{2|H<1>}	H(C[5]C[5]2C)	108.1787	0.179	6	108.1787	0.032	6	108.1787	0.032	6	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	H(C[5]C[5]2N)	111.8200	0.000	1	111.8200	0.000	1	110.1642	0.979	6	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H){2|H<1>}	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2N)	110.2630	0.331	3	110.2630	0.110	3	110.1642	0.979	6	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(S[5]S[5])(H)2	H(C[5]C[5]2N)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2N)	109.1880	0.000	2	109.1880	0.000	2	110.1642	0.979	6	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2N[5])	110.8400	1.188	3	110.8400	1.411	3	110.2334	0.963	8	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	109.3150	0.000	1	109.3150	0.000	1	110.2334	0.963	8	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2N[5])	111.0540	0.000	1	110.2373	0.570	3	110.2334	0.963	8	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2N[5])	110.0930	0.000	1	110.2373	0.570	3	110.2334	0.963	8	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2N[5])	109.5650	0.000	1	110.2373	0.570	3	110.2334	0.963	8	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2N[5])	109.3200	0.000	1	109.3200	0.000	1	110.2334	0.963	8	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.7375	0.228	2	108.7375	0.052	2	108.7375	0.052	2	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:O[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H){1|H<1>,1|O<3>,4|C<4>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|Mn<4>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2O[5])	110.6160	0.615	2	110.6160	0.378	2	110.6160	0.378	2	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H){2|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|C<4>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]C[6]N[5])	110.4510	0.000	1	110.4510	0.000	1	110.0255	0.362	2	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]C[6]N[5])	109.6000	0.000	1	109.6000	0.000	1	110.0255	0.362	2	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2{1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5]C[6]N[5])	108.0680	0.000	2	108.0680	0.000	2	108.0680	0.000	2	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]O[5]HH)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuH)(C[5]O[5]HH)(COO)(H){2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiH)(C[5]S[5]HH)(COO)(H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]NiH)(C[5]S[5]HH)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Ni<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	109.4113	1.950	75	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H)	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H){3|H<1>}	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]C[5]N)	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]C)	108.6314	0.549	5	108.6314	0.301	5	108.6314	0.301	5	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H){2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H){2|C<4>}	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.9350	0.000	1	108.9350	0.000	1	109.6284	0.670	5	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2N)	109.7060	0.000	1	109.7060	0.000	1	109.6284	0.670	5	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){4|H<1>}	H(C[5]C[5]2N)	109.2485	0.114	2	109.2485	0.013	2	109.6284	0.670	5	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	H(C[5]C[5]2N)	111.0040	0.000	1	111.0040	0.000	1	109.6284	0.670	5	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<3>,2|H<1>}	H(C[5]C[5]2O)	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	109.3362	1.724	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:O-2:O-2:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-2:O[5]-2:C-4:	C[5]-4:	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(N[5]C[5])(O[5]C[5])(CC3)	H(C[5]C[5]3)	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	C[5](C[5]C[5]2H)(N[5]C[5])(O[5]C[5])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[5]C[5]3)	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	108.2050	0.072	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:2:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5]3)	108.3600	0.010	2	108.3600	0.000	2	108.3600	0.000	2	108.2050	0.072	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5])(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5])(COO)(H){3|C<3>}	H(C[5]C[5,5]C[5]C)	107.6280	0.136	2	107.6280	0.018	2	107.6280	0.018	2	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.0660	1.855	2	109.0660	3.443	2	109.0664	2.171	7	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.0370	0.758	2	110.1387	0.318	3	109.0664	2.171	7	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){3|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2C)	110.3420	0.000	1	110.1387	0.318	3	109.0664	2.171	7	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.8610	0.000	1	107.4585	0.324	2	109.0664	2.171	7	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.0560	0.000	1	107.4585	0.324	2	109.0664	2.171	7	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,6|C<4>}	H(C[5]C[5]3)	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H){4|C<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2N)	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	108.6873	2.706	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:3:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5])(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5])(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.1600	0.000	1	107.1600	0.000	1	107.1600	0.000	1	107.1600	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H){2|C<3>}	H(C[5]C[5,5]C[5]C)	109.5720	0.382	2	109.5720	0.146	2	109.5720	0.146	2	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NC[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]N)	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	111.2680	0.044	2	111.2680	0.002	2	110.6357	1.200	3	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OPtH)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]O)	109.3710	0.000	1	109.3710	0.000	1	110.6357	1.200	3	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.1330	0.000	1	108.1330	0.000	1	108.5425	0.335	2	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.9520	0.000	1	108.9520	0.000	1	108.5425	0.335	2	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<1>,1|O<1>}	H(C[5]C[5]2C)	108.1580	0.000	1	108.2705	0.161	11	108.2953	0.154	12	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.2818	0.421	10	108.2705	0.161	11	108.2953	0.154	12	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(C[5]C[5]2C)	108.5670	0.000	1	108.5670	0.000	1	108.2953	0.154	12	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	109.9560	0.000	1	109.9560	0.000	1	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	110.5195	0.136	2	110.5195	0.019	2	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	110.5960	0.000	1	110.5960	0.000	1	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.5950	0.000	1	108.5950	0.000	1	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	110.4780	0.000	1	110.4780	0.000	1	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	111.1510	0.000	1	111.1510	0.000	1	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	108.3390	0.000	1	108.3390	0.000	1	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.3830	0.000	1	108.3830	0.000	1	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>}	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2C)	108.0780	0.697	2	108.0780	0.486	2	109.5175	1.513	11	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]3)	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2N)	108.1040	0.000	1	108.1040	0.000	1	109.3053	1.000	9	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2N)	111.3940	0.000	1	111.3940	0.000	1	109.3053	1.000	9	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2N)	108.6560	0.000	1	108.6560	0.000	1	109.3053	1.000	9	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.8965	0.295	2	109.4003	0.805	3	109.3053	1.000	9	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){4|H<1>}	H(C[5]C[5]2N)	110.4080	0.000	1	109.4003	0.805	3	109.3053	1.000	9	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2N)	109.2160	0.042	2	109.2160	0.002	2	109.3053	1.000	9	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2N)	108.9610	0.000	1	108.9610	0.000	1	109.3053	1.000	9	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H)	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H){2|H<1>}	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2N)	108.4130	0.000	1	108.4130	0.000	1	108.9697	0.232	3	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H){2|H<1>}	H(C[5]C[5]2N)	109.2480	0.000	2	109.2480	0.000	2	108.9697	0.232	3	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,1|O<3>,2|H<1>}	H(C[5]C[5]2O)	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]O[5]CH)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuC)(C[5]O[5]CH)(COO)(H){2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Cu<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2255	0.062	2	109.2255	0.004	2	109.4887	0.210	3	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RuH)(C[5]O[5]CH)(COO)(H){2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0150	0.000	1	110.0150	0.000	1	109.4887	0.210	3	109.0761	1.098	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H)	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CN)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	108.9930	0.765	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.0030	0.000	1	109.0030	0.000	1	108.5880	0.163	3	108.9930	0.765	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H){4|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.1970	0.000	1	108.1970	0.000	1	108.5880	0.163	3	108.9930	0.765	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.5640	0.000	1	108.5640	0.000	1	108.5880	0.163	3	108.9930	0.765	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CNO)(H)	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CNO)(H){1|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO){1|H<1>,2|C<3>}	H(C[5]C[5]2C)	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	109.8913	0.781	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	110.3670	0.453	2	110.3670	0.205	2	110.3670	0.205	2	109.8913	0.781	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:4:	4:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H){1|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{2|C<3>}	H(C[5]C[5]2C)	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	108.4315	0.350	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.4315	0.350	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:2:4:4:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3)	H(C[5]C[5]C[6]N[5])	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5]C[6]N[5])	107.9915	0.436	2	107.9915	0.190	2	107.9915	0.190	2	108.4315	0.350	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	B[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]B[5]CH)(C[5]O[5]O)(H)2	H(C[5]B[5]C[5]C)	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H){1|O<1>,2|N<3>}	C[5](C[5]B[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]B[5]C[5]C)	111.5940	0.470	6	111.5940	0.221	6	111.5940	0.221	6	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H){1|N<3>,2|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2{3|C<3>}	H(C[5]C[5,5]C[5]C)	107.5160	0.000	1	107.5160	0.000	1	107.2000	0.200	2	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]C)	106.8840	0.000	1	106.8840	0.000	1	107.2000	0.200	2	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.2980	0.000	1	107.2980	0.000	1	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.3090	0.656	4	107.5133	0.218	9	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.6768	0.195	5	107.5133	0.218	9	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]C)	107.9400	0.000	1	107.6310	0.191	2	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,5|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]C)	107.3220	0.000	1	107.6310	0.191	2	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]C)	108.5494	1.849	7	108.5494	3.420	7	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]C)	107.4628	0.861	5	107.4628	0.742	5	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]C)	108.2383	0.869	3	108.2383	0.756	3	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.3405	0.264	2	108.3405	0.070	2	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.1265	0.738	2	108.0340	0.840	5	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.7900	0.000	1	108.0340	0.840	5	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.5635	1.336	2	108.0340	0.840	5	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.2020	0.028	2	108.2020	0.001	2	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(CCC)(H){1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.9080	0.000	1	107.9080	0.000	1	107.9248	1.031	37	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(NCH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HN)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]N)	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	98.6426	0.000	1	98.6426	0.000	1	107.8977	20.138	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.4250	0.000	1	106.4250	0.000	1	107.8977	20.138	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.8940	0.000	1	107.8940	0.000	1	107.8977	20.138	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.0170	0.000	1	106.0170	0.000	1	107.8977	20.138	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Os)(C[5]C[5]HH)(CCP)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]Os)(C[5]C[5]HH)(CCP)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(H)2{1|Os<9>,2|C<4>}	H(C[5]C[5,6]C[5]C)	111.9413	0.400	3	111.9413	0.160	3	107.8977	20.138	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]C)	108.3790	0.000	1	108.3790	0.000	1	107.8977	20.138	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.5014	0.407	5	107.5014	0.166	5	108.0606	0.793	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	108.9927	0.600	3	108.9927	0.360	3	108.0606	0.793	8	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]2)	106.3270	0.000	1	106.3270	0.000	1	106.3270	0.000	1	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]N)	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2C)	105.7630	0.000	2	105.7630	0.000	2	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.1382	1.329	4	109.1382	1.767	4	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>}	H(C[5]C[5]2C)	106.3410	0.358	2	106.3410	0.128	2	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)(H){2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2C)	107.2740	0.000	1	107.2740	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2C)	106.5110	0.000	1	106.5110	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.6710	0.000	1	108.6710	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.7000	0.000	1	107.7000	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.1020	0.000	1	109.1020	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5]O)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	111.6020	0.000	1	111.6020	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.0850	0.000	1	110.0850	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2C)	110.4155	0.404	2	109.8233	1.133	3	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2C)	108.6390	0.000	1	109.8233	1.133	3	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.8015	0.095	2	108.8015	0.009	2	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2C)	109.1290	0.000	1	109.1290	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.2190	0.000	1	108.2190	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2C)	110.0910	0.000	1	110.0910	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.6710	0.000	1	109.6710	0.000	1	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.9741	1.224	10	108.9741	1.497	10	108.6950	2.318	34	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.7890	0.000	1	106.7890	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]C[5])(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]C[5])(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.1050	0.000	1	106.1050	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(COO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.4520	0.960	2	107.4520	0.922	2	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.1590	0.000	1	107.1590	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.6915	0.342	2	107.8872	0.482	5	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.0177	0.918	3	107.8872	0.482	5	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.3290	0.000	1	109.4306	1.546	9	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.7239	1.151	7	109.4306	1.546	9	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.4790	0.000	1	109.4306	1.546	9	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.9300	0.000	1	107.9300	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7216	0.527	5	108.7216	0.277	5	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.2220	0.000	1	109.2220	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.1470	0.000	1	109.1470	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|O<2>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.7600	0.000	1	108.7600	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2C)	107.8990	0.000	1	107.8990	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	109.2080	0.000	1	109.2080	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	102.7100	0.000	1	102.7100	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,3|H<1>}	H(C[5]C[5]2C)	102.4810	0.000	1	104.9295	11.990	2	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.3780	0.000	1	104.9295	11.990	2	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|S<6>,3|H<1>}	H(C[5]C[5]2C)	110.6100	0.000	1	110.6100	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	103.4220	0.000	1	103.4220	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.0360	0.000	1	107.0360	0.000	1	108.0189	3.890	36	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]3)	107.8100	0.000	1	107.8100	0.000	1	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]3)	108.1440	0.000	1	108.4345	0.169	2	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,3|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]3)	108.7250	0.000	1	108.4345	0.169	2	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	C[5](C[5]C[5]2H)(C[5]O[5]C)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5]2H)(C[5]O[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]3)	108.9177	0.261	3	108.9177	0.068	3	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,5|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]3)	109.7200	0.000	1	109.3360	0.295	2	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<2>,2|O<1>,5|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]3)	108.9520	0.000	1	109.3360	0.295	2	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]3)	107.4520	1.145	3	107.4520	1.312	3	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]3)	109.6730	0.000	1	109.6730	0.000	1	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]3)	108.7350	0.000	1	108.7350	0.000	1	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5]3)	107.5500	0.000	1	107.5500	0.000	1	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5]3)	107.8940	0.000	1	107.8940	0.000	1	108.4208	0.824	15	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<4>,5|H<1>}	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	109.7966	1.663	5	109.7966	2.764	5	109.7966	2.764	5	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2N)	107.3880	0.000	1	107.3880	0.000	1	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2N)	110.7750	0.000	1	110.6480	0.032	2	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2N)	110.5210	0.000	1	110.6480	0.032	2	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCC)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2N)	108.0910	0.000	1	108.0910	0.000	1	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCH)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2N)	110.5200	2.596	2	110.5200	6.742	2	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2N)	111.0040	0.000	1	111.0040	0.000	1	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.5610	0.000	1	108.5610	0.000	1	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2N)	107.5040	0.409	2	107.5040	0.167	2	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2N)	107.4885	0.267	2	107.4885	0.071	2	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|P<4>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5]2N)	109.1810	0.000	1	109.1810	0.000	1	108.9651	2.813	13	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2N)	107.0500	0.000	1	107.0500	0.000	1	108.7252	1.813	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2N)	108.8255	1.503	2	108.8255	2.258	2	108.7252	1.813	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	106.4800	0.000	1	106.4800	0.000	1	108.7252	1.813	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	110.8620	0.000	1	110.8620	0.000	1	108.7252	1.813	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2N)	109.0418	0.531	5	109.0418	0.282	5	108.7252	1.813	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[5]C[5]2N[5])	110.1830	0.742	2	110.1830	0.551	2	109.7619	0.170	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]HH)(N[5]C[5]2)(H){2|C<3>,3|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	109.3790	0.000	1	109.3790	0.000	1	109.7619	0.170	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2N[5])	109.5740	0.134	2	109.6278	0.050	6	109.7619	0.170	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2N[5])	109.6548	0.272	4	109.6278	0.050	6	109.7619	0.170	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2N[5])	110.1070	0.000	1	110.1070	0.000	1	109.7619	0.170	10	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:Si-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2Si)	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[6,6]C[5]2)	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[6,6]C[5]2)	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2C[6])	107.4460	0.000	1	107.4460	0.000	1	107.5062	0.157	4	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,5|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2C[6])	106.9730	0.000	1	106.9730	0.000	1	107.5062	0.157	4	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C[6])	107.8030	0.082	2	107.8030	0.007	2	107.5062	0.157	4	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]C[6]N[5])	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	108.5005	3.133	194	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.9434	0.251	9	105.9434	0.063	9	105.9434	0.063	9	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0860	0.000	1	107.1958	0.682	5	106.7772	1.597	6	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.4732	0.630	4	107.1958	0.682	5	106.7772	1.597	6	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.6840	0.000	1	104.6840	0.000	1	106.7772	1.597	6	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.8020	0.000	1	109.8020	0.000	1	108.6595	2.611	2	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	107.5170	0.000	1	107.5170	0.000	1	108.6595	2.611	2	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]N)	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.8367	0.265	4	110.8367	0.070	4	110.8367	0.070	4	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]3)	107.1760	0.000	1	107.1760	0.000	1	107.1760	0.000	1	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.4998	0.851	4	108.0621	0.822	14	108.0621	0.822	14	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.8870	0.910	10	108.0621	0.822	14	108.0621	0.822	14	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	108.7410	0.000	1	108.7410	0.000	1	108.6774	0.978	5	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2N[5])	109.3840	0.000	1	108.2115	2.750	2	108.6774	0.978	5	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	107.0390	0.000	1	108.2115	2.750	2	108.6774	0.978	5	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	108.6940	0.000	1	108.6940	0.000	1	108.6774	0.978	5	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2N[5])	109.5290	0.000	1	109.5290	0.000	1	108.6774	0.978	5	107.8917	3.307	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	105.3795	0.207	2	105.3795	0.043	2	105.3795	0.043	2	105.3795	0.043	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5]3)	109.6640	0.000	1	109.6640	0.000	1	109.1710	0.486	2	108.5621	3.193	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]3)	108.6780	0.000	1	108.6780	0.000	1	109.1710	0.486	2	108.5621	3.193	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]3)	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	108.5621	3.193	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	105.4770	0.000	1	105.4770	0.000	1	108.5152	5.036	5	108.5621	3.193	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	108.9800	0.068	2	108.9800	0.005	2	108.5152	5.036	5	108.5621	3.193	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	111.6010	0.000	1	111.6010	0.000	1	108.5152	5.036	5	108.5621	3.193	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	107.5380	0.000	1	107.5380	0.000	1	108.5152	5.036	5	108.5621	3.193	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H)	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H){2|C<3>,6|H<1>}	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]N)	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	107.3533	0.235	4	107.2310	0.116	5	107.2310	0.116	5	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5,6]C[6a]C[5])	106.7420	0.000	1	107.2310	0.116	5	107.2310	0.116	5	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(COO)(H){1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]C)	109.7310	0.000	1	109.7310	0.000	1	109.0760	0.858	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(CC[6a]O)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	108.4210	0.000	1	108.4210	0.000	1	109.0760	0.858	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]CH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H){1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	109.5770	0.000	1	109.5770	0.000	1	108.9334	0.907	5	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H){4|C<3>}	H(C[5]C[5,5]C[5]C)	108.2265	0.080	2	108.2265	0.006	2	108.9334	0.907	5	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.3410	0.000	1	108.3410	0.000	1	108.9334	0.907	5	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|S<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	110.2960	0.000	1	110.2960	0.000	1	108.9334	0.907	5	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8050	0.000	1	106.8050	0.000	1	106.8050	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0975	0.091	2	106.0975	0.008	2	106.4737	0.212	4	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8500	0.249	2	106.8500	0.062	2	106.4737	0.212	4	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.1570	0.000	1	105.1570	0.000	1	105.1570	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H){1|C<4>,5|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6183	0.382	3	106.6183	0.146	3	107.2415	1.651	4	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1110	0.000	1	109.1110	0.000	1	107.2415	1.651	4	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1485	0.009	2	106.0183	0.051	3	106.1757	0.133	4	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.7580	0.000	1	106.0183	0.051	3	106.1757	0.133	4	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6480	0.000	1	106.6480	0.000	1	106.1757	0.133	4	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.1900	0.000	1	109.1900	0.000	1	108.3900	1.280	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){3|C<3>}	C[5](C[5]C[5]CH)(C[5]S[5]C)(CCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	107.5900	0.000	1	107.5900	0.000	1	108.3900	1.280	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H){1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2C[6])	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.6795	0.566	2	107.6795	0.321	2	107.6795	0.321	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCN)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H){3|H<1>}	H(C[5]C[5]2N)	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2N[5])	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Fe<10>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5]2N[5])	108.6030	0.000	1	108.6030	0.000	1	108.5550	0.005	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.5070	0.000	1	108.5070	0.000	1	108.5550	0.005	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2N[5])	107.7410	0.000	1	107.7410	0.000	1	107.4445	0.176	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2N[5])	107.1480	0.000	1	107.1480	0.000	1	107.4445	0.176	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-3:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	C[5](C[5]C[5]HS)(C[5]C[5]H)(SCuC)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){3|H<1>}	C[5](C[5]C[5]HS)(C[5]C[5]H)(SCuC)(H){4|H<1>}	H(C[5]C[5]2S)	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|N<3>,2|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C[6])	106.6200	0.000	1	106.7335	0.026	2	106.7335	0.026	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C[6])	106.8470	0.000	1	106.7335	0.026	2	106.7335	0.026	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2N[5])	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2N[6])	109.0070	0.000	1	108.6460	0.261	2	108.6460	0.261	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5]2N[6])	108.2850	0.000	1	108.6460	0.261	2	108.6460	0.261	2	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:1:	4:	C[5]-4:P[5]-4:C[5]-3:H-1:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	H(C[5]C[5]2P[5])	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H){10|C<3>}	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	H(C[5]C[5]2P[5])	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.7611	1.716	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){4|H<1>}	H(C[5]C[5]2C)	105.1010	0.000	1	105.1010	0.000	1	106.1845	2.348	2	106.4357	1.363	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.2680	0.000	1	107.2680	0.000	1	106.1845	2.348	2	106.4357	1.363	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2N)	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	106.4357	1.363	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO){4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	108.5171	13.215	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]S[5]N)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|N<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]S[5]N)(COO)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.5171	13.215	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.8263	4.778	3	106.8263	22.831	3	106.8413	15.221	4	108.5171	13.215	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.8860	0.000	1	106.8860	0.000	1	106.8413	15.221	4	108.5171	13.215	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:3:3:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(COO)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]H)(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2N)	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	108.5171	13.215	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	B[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:P[5]-4:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H)	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,9|C<3>}	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H){2|H<1>,7|C<3>}	H(C[5]C[6a]B[5]C[5])	104.5460	0.000	1	104.5460	0.000	1	104.5460	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(C[5]C[3]C[5]2)	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.1080	0.000	1	108.1080	0.000	1	108.3305	0.099	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.5530	0.000	1	108.5530	0.000	1	108.3305	0.099	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H){2|C<3>}	H(C[5]C[5,5]C[5]C)	108.6210	0.000	1	108.6210	0.000	1	108.3545	0.142	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	H(C[5]C[5,5]C[5]C)	108.0880	0.000	1	108.0880	0.000	1	108.3545	0.142	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.2790	0.071	2	108.2790	0.005	2	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.9000	0.000	1	108.9000	0.000	1	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.5770	0.000	1	108.5780	0.000	2	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.5790	0.000	1	108.5780	0.000	2	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.5960	0.000	1	108.3399	0.278	9	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.1460	0.477	4	108.3399	0.278	9	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.8830	0.000	1	108.3399	0.278	9	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.6653	0.332	3	108.3399	0.278	9	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	109.1290	0.000	1	109.1290	0.000	1	108.4535	0.221	15	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H){1|S<2>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5440	0.256	2	106.5440	0.066	2	106.9080	0.430	3	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.6360	0.000	1	107.6360	0.000	1	106.9080	0.430	3	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]N)	108.7840	0.021	2	108.7840	0.000	2	108.7840	0.000	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]N)	108.6100	0.165	2	108.6100	0.027	2	108.6100	0.027	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H){1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]C)	106.2840	0.000	1	106.2840	0.000	1	106.2840	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H)	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5]2C)	109.8305	0.026	2	109.8305	0.001	2	109.8305	0.001	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5]2C)	107.5390	0.000	1	107.5390	0.000	1	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|S<2>,2|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	110.4660	3.610	2	110.1270	6.863	3	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,3|O<2>,5|C<3>}	H(C[5]C[5]2C)	109.4490	0.000	1	110.1270	6.863	3	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5]2C)	113.4760	0.000	1	113.4760	0.000	1	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	107.5350	0.000	1	107.6550	0.029	2	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	107.7750	0.000	1	107.6550	0.029	2	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.1655	0.957	2	108.1655	0.915	2	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.6695	0.053	2	108.6695	0.003	2	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.2310	0.000	1	108.2310	0.000	1	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H)	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H){4|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[5]C[5]2C)	108.1010	0.000	1	108.1010	0.000	1	108.9775	3.939	13	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.9470	0.000	1	108.9470	0.000	1	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H){3|H<1>}	H(C[5]C[5]2C)	107.9520	0.000	1	107.9520	0.000	1	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.2480	0.000	1	109.2480	0.000	1	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2C)	105.9450	0.000	1	105.9450	0.000	1	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.6160	0.000	1	108.6160	0.000	1	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	H(C[5]C[5]2C)	109.5990	0.000	1	109.5990	0.000	1	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.1445	0.200	2	110.1445	0.040	2	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H)	H(C[5]C[5]2C)	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H){1|Si<4>,2|H<1>}	H(C[5]C[5]2C)	107.8260	0.000	1	107.8260	0.000	1	108.7136	1.788	9	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[5]2C)	110.2300	0.000	1	109.5365	0.962	2	108.3832	3.332	5	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	H(C[5]C[5]2C)	108.8430	0.000	1	109.5365	0.962	2	108.3832	3.332	5	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	106.1580	0.000	1	106.1580	0.000	1	108.3832	3.332	5	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	106.8010	0.000	1	106.8010	0.000	1	108.3832	3.332	5	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H){6|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.8840	0.000	1	109.8840	0.000	1	108.3832	3.332	5	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.2010	0.000	1	109.2010	0.000	1	108.5993	1.228	7	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.7570	0.000	1	110.7570	0.000	1	108.5993	1.228	7	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	107.7140	0.000	1	107.7140	0.000	1	108.5993	1.228	7	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]C)(C[5]N[5]CH)(COO)(H){4|C<4>}	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H){2|C<4>}	H(C[5]C[5]2C)	108.2255	0.298	2	108.2255	0.089	2	108.5993	1.228	7	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>}	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.0360	0.752	2	108.0360	0.566	2	108.5993	1.228	7	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|Cu<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H){1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]3)	109.1580	1.058	2	109.1580	1.119	2	109.1580	1.119	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	106.2810	0.279	2	106.2810	0.078	2	106.2810	0.078	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.7135	0.194	2	106.6670	0.025	3	106.6670	0.025	3	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.5740	0.000	1	106.6670	0.025	3	106.6670	0.025	3	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5]2N)	108.5343	0.784	3	108.6640	0.477	4	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[5]C[5]2N)	109.0530	0.000	1	108.6640	0.477	4	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5]2N)	109.6260	0.000	1	109.6260	0.000	1	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[5]C[5]2N)	108.7850	0.000	1	108.7115	0.011	2	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5]2N)	108.6380	0.000	1	108.7115	0.011	2	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5]2N)	109.7400	1.843	2	109.4962	1.038	5	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5]2N)	109.8720	0.000	1	109.4962	1.038	5	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<1>,5|C<3>,6|H<1>}	H(C[5]C[5]2N)	109.0645	0.350	2	109.4962	1.038	5	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	H(C[5]C[5]2N)	108.9940	0.000	1	108.9940	0.000	1	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H){1|C<4>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2N)	109.3370	0.000	1	109.3370	0.000	1	109.1084	0.599	14	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H)	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2N)	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2N)	111.3990	2.123	2	111.3990	4.506	2	110.7430	6.887	10	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2N)	113.8300	0.000	1	113.9630	0.340	3	110.7430	6.887	10	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NCC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){3|H<1>}	H(C[5]C[5]2N)	114.0295	0.808	2	113.9630	0.340	3	110.7430	6.887	10	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H){1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2N)	108.4600	0.000	1	108.4600	0.000	1	110.7430	6.887	10	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H){1|O<1>,4|C<3>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H){2|C<3>}	H(C[5]C[5]2N)	108.2100	0.182	2	108.2100	0.033	2	110.7430	6.887	10	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H){1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2N)	109.2420	0.000	1	109.2420	0.000	1	110.7430	6.887	10	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2N)	108.6210	0.000	1	108.6210	0.000	1	110.7430	6.887	10	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	H(C[5]C[5]2N)	108.3690	0.000	1	108.3690	0.000	1	109.7445	3.784	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H){4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2N)	111.1200	0.000	1	111.1200	0.000	1	109.7445	3.784	2	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(NOO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2N)	111.1860	1.761	2	111.1860	3.100	2	109.4438	5.035	6	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2N)	110.7930	0.000	1	110.7930	0.000	1	109.4438	5.035	6	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2N)	107.5170	0.000	1	107.5170	0.000	1	109.4438	5.035	6	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2N)	106.2230	0.000	1	106.2230	0.000	1	109.4438	5.035	6	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H)	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2N)	109.7580	0.000	1	109.7580	0.000	1	109.4438	5.035	6	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2N)	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2N[5])	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2C[6])	107.0970	0.644	3	107.0970	0.415	3	107.0970	0.415	3	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.7693	2.797	114	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH){4|C<4>}	H(C[5]C[5,6]C[5]C)	108.5145	0.138	2	108.5145	0.019	2	108.5145	0.019	2	107.3006	3.750	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	H(C[5]C[5]2C)	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	107.3006	3.750	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>}	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	105.1975	1.285	2	105.1975	1.651	2	105.1975	1.651	2	107.3006	3.750	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.2740	0.477	2	108.2740	0.227	2	108.2780	0.114	3	107.3006	3.750	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.2860	0.000	1	108.2860	0.000	1	108.2780	0.114	3	107.3006	3.750	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	H(C[5]C[5]2C[6])	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2C[6])	104.1960	0.000	1	104.1960	0.000	1	104.1960	0.000	1	107.3006	3.750	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	H(C[5]C[5]2C)	107.5683	0.306	3	107.5683	0.093	3	107.5683	0.093	3	107.3060	2.247	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CH3)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CC[6a]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CH3)(COO){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2C)	109.1270	0.843	2	109.1270	0.710	2	107.1486	3.803	5	107.3060	2.247	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CC[6a]HH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CC[6a]HH)(COO){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	105.3370	0.000	2	105.3370	0.000	2	107.1486	3.803	5	107.3060	2.247	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(COO){4|H<1>}	H(C[5]C[5]2C)	106.8150	0.000	1	106.8150	0.000	1	107.1486	3.803	5	107.3060	2.247	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)(H){2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.2210	0.000	1	107.2210	0.000	1	109.1768	1.377	5	108.5940	1.080	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|O<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.6658	0.492	4	109.6658	0.243	4	109.1768	1.377	5	108.5940	1.080	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.3100	0.505	2	108.4907	0.225	3	108.1246	0.543	5	108.5940	1.080	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.8520	0.000	1	108.4907	0.225	3	108.1246	0.543	5	108.5940	1.080	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.5755	0.846	2	107.5755	0.716	2	108.1246	0.543	5	108.5940	1.080	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H)	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	108.5940	1.080	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	B-4:C[5]-4:B[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H)	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2	H(C[5]B[5]C[5]B)	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H){4|H<1>}	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]B[5]C[5]B)	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[3,5]C[5]C)	108.9420	0.000	1	108.9420	0.000	1	109.5975	0.859	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,3|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[3,5]C[5]C)	110.2530	0.000	1	110.2530	0.000	1	109.5975	0.859	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]C)	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H){2|C<4>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]N)	109.9140	0.000	1	111.1735	3.173	2	109.2150	4.420	12	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H){5|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]N)	112.4330	0.000	1	111.1735	3.173	2	109.2150	4.420	12	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]HH)(NC[6a]H)(H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]HH)(NC[6a]H)(H){3|H<1>,4|C<3>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]N)	110.3610	0.000	1	110.3610	0.000	1	109.2150	4.420	12	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H){3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]N)	107.4697	2.091	3	107.4697	4.373	3	109.2150	4.420	12	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H){1|O<2>,2|H<1>}	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2{1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]N)	106.3230	0.000	1	106.3230	0.000	1	109.2150	4.420	12	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]N)	112.3430	0.000	1	112.3430	0.000	1	109.2150	4.420	12	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NHS)(H){1|C<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]N)	109.1993	0.378	4	109.1993	0.143	4	109.2150	4.420	12	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]C)	107.9050	0.000	1	107.9000	0.000	2	107.9000	0.000	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(CCH)(H){2|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]C)	107.8950	0.000	1	107.9000	0.000	2	107.9000	0.000	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[4,5]C[5]C)	109.6990	0.937	3	109.6990	0.878	3	109.6990	0.878	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[4]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[4]C[5]2)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[4]C[5]2)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,6|H<1>}	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[4]C[5]N[5])	109.1200	0.008	2	109.1200	0.000	2	109.1200	0.000	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2	H(C[5]C[5,5,6,6]C[6a]C[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2{10|C<3>}	H(C[5]C[5,5,6,6]C[6a]C[5])	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.2525	0.040	2	108.0777	0.093	3	108.8620	1.037	6	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.7280	0.000	1	108.0777	0.093	3	108.8620	1.037	6	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.7360	0.000	1	108.7360	0.000	1	108.8620	1.037	6	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	109.9230	0.000	1	110.1015	0.064	2	108.8620	1.037	6	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	110.2800	0.000	1	110.1015	0.064	2	108.8620	1.037	6	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H)	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	H(C[5]C[5,5]C[5]C)	109.8475	0.240	2	109.8475	0.057	2	109.8475	0.057	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.2000	0.000	1	108.1720	0.002	2	108.1720	0.002	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.1440	0.000	1	108.1720	0.002	2	108.1720	0.002	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]C)	109.8530	0.000	1	109.0143	0.928	3	109.0143	0.928	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]C)	109.2280	0.000	1	109.0143	0.928	3	109.0143	0.928	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6,6]HH)(COO)(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]C)	107.9620	0.000	1	109.0143	0.928	3	109.0143	0.928	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]C)	109.2080	0.000	1	109.2080	0.000	1	110.0700	8.424	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,5]C[5]C)	115.1660	0.000	1	115.1660	0.000	1	110.0700	8.424	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,5]C[5]C)	108.7920	0.000	1	109.0420	0.125	2	110.0700	8.424	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	109.2920	0.000	1	109.0420	0.125	2	110.0700	8.424	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5]C[5,6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	107.8920	0.000	1	107.8920	0.000	1	110.0700	8.424	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	107.9450	0.000	1	107.9450	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)2(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.5235	0.477	2	107.5235	0.228	2	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.7310	0.000	1	108.7310	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]C)	106.6610	0.000	1	106.6610	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]C)	107.0238	0.281	4	106.9675	0.668	6	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]C)	106.8550	1.751	2	106.9675	0.668	6	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.7587	0.243	4	107.7552	0.044	5	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.7410	0.000	1	107.7552	0.044	5	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]C)	109.1870	0.000	1	109.1870	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	107.6290	0.000	1	107.6290	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	109.3450	0.000	1	109.3450	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCC)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]C)	106.7210	0.000	1	106.7210	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.2330	0.000	1	107.2330	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]C)	106.4660	0.000	1	106.4660	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(CNO)(H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]C)	110.7385	0.347	2	110.7385	0.121	2	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2{1|S<2>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.9693	1.078	4	108.9693	1.162	4	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]C)	111.1710	0.000	1	111.1710	0.000	1	108.0714	1.908	29	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]N)	109.2380	0.000	1	109.2380	0.000	1	109.4192	1.356	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2{2|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]N)	108.6460	0.000	1	108.6460	0.000	1	109.4192	1.356	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NCH)(H){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]N)	110.2434	0.331	5	110.2434	0.110	5	109.4192	1.356	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NNiC)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(NNiC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]N)	107.8360	1.171	2	107.8360	1.371	2	109.4192	1.356	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H)	C[5](C[5]C[5,5]HN)(S[5]C[5,5]OO)(H)2	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HN)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]N)	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]C)	107.8565	0.274	2	107.8565	0.075	2	107.8565	0.075	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6,6]CH)2(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]CH)2(H)2{4|C<4>}	H(C[5]C[5,6,6]C[5]C)	106.2350	0.151	2	106.2350	0.023	2	106.2350	0.023	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]C)	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,3x6]C[5,6]H)(C[5]C[5,6,6]HH)(CCC)(H){2|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	109.0810	0.000	1	109.0810	0.000	1	108.2595	1.350	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[5]C[5,6]C[5]C)	107.4380	0.000	1	107.4380	0.000	1	108.2595	1.350	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.0760	0.512	2	108.0760	0.262	2	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.5675	1.061	2	108.5675	1.127	2	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(CCO)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(CCO)(H){1|H<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	109.6100	0.000	1	109.6100	0.000	1	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	104.0890	0.000	1	104.0890	0.000	1	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]C)	109.8880	0.000	1	109.8880	0.000	1	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	108.4170	0.000	1	108.4170	0.000	1	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.7575	2.563	2	109.7575	6.570	2	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H){2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	109.8840	0.000	1	109.8840	0.000	1	108.6082	3.590	11	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.4103	0.169	3	107.5015	2.736	11	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.1608	1.848	8	107.5015	2.736	11	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	110.2040	0.000	1	110.2040	0.000	1	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	105.9160	0.000	1	106.1480	0.232	4	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.2253	0.559	3	106.1480	0.232	4	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.2790	0.000	1	107.2790	0.000	1	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.8747	0.803	3	108.0041	2.371	25	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.7465	1.484	2	108.0041	2.371	25	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.1993	1.601	20	108.0041	2.371	25	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.4120	0.246	5	106.4120	0.061	5	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.4370	0.000	1	108.4370	0.000	1	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.4060	0.156	2	108.4060	0.024	2	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.0120	0.000	1	108.1797	0.114	3	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.2635	0.431	2	108.1797	0.114	3	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.8600	0.546	2	107.6773	1.019	4	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.2870	0.000	1	107.6773	1.019	4	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.7020	0.000	1	107.6773	1.019	4	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.6925	0.169	2	108.6925	0.029	2	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)2(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.1020	0.123	2	109.1020	0.015	2	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.8265	0.483	2	108.2833	3.304	4	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.7400	0.390	2	108.2833	3.304	4	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H){1|Si<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.4360	0.000	1	109.4360	0.000	1	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	107.6825	0.780	2	107.6825	0.608	2	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5,6]C[5]C)	108.8350	0.000	1	108.8350	0.000	1	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,6]C[5]C)	109.5415	1.667	2	109.5415	2.778	2	107.8689	2.108	71	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]2)	107.5095	0.087	2	107.5095	0.008	2	107.5095	0.008	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2{1|C<2>,1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]2)	107.1680	0.110	2	107.1680	0.012	2	107.1680	0.012	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]2)	107.3800	0.000	1	107.3806	0.214	15	107.3806	0.214	15	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]2)	107.4022	0.492	13	107.3806	0.214	15	107.3806	0.214	15	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]2)	107.1010	0.000	1	107.3806	0.214	15	107.3806	0.214	15	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.1520	0.318	3	107.1520	0.101	3	107.1520	0.101	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<2>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0540	0.000	1	108.0540	0.000	1	108.4278	0.284	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5212	0.566	4	108.5212	0.320	4	108.4278	0.284	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9930	0.000	1	106.9930	0.000	1	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.6670	1.032	2	105.6670	1.066	2	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.6810	0.000	1	105.6810	0.000	1	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.9660	0.000	1	105.9660	0.000	1	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.0000	0.000	1	108.0000	0.000	1	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.0640	0.147	2	109.0640	0.022	2	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.9440	0.000	1	106.9440	0.000	1	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1910	0.000	1	106.1910	0.000	1	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2{1|C<2>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.5860	1.441	2	108.5860	2.077	2	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1515	0.077	2	109.1515	0.006	2	107.4794	2.368	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]N)	107.5885	0.158	2	107.5885	0.025	2	107.5885	0.025	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]N[5])	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]N[5])	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]N[5])	109.2533	0.064	3	109.2533	0.004	3	109.2533	0.004	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H)	H(C[5]C[5,6]C[5]N[6])	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]N[6])	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2	H(C[5]C[5,6]C[5]N[6])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]N[6])	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	111.4550	0.000	1	111.4550	0.000	1	111.4550	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5890	0.546	2	106.5890	0.298	2	106.5890	0.298	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H)	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]B[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]B[5]C[5]2)	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)(H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(COO)(H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]HH)2(COO)(H){2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.5597	1.162	4	109.5597	1.350	4	109.5597	1.350	4	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H){1|H<1>,2|C<4>,4|O<2>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2C)	106.7920	0.000	1	106.7920	0.000	1	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.3910	0.000	1	107.3910	0.000	1	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	110.7820	0.000	1	110.7820	0.000	1	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.4520	0.000	1	107.4520	0.000	1	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.7730	0.000	1	107.7730	0.000	1	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.0125	1.244	2	109.0125	1.547	2	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.0520	0.106	2	109.0520	0.011	2	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5]2C)	107.0750	0.000	1	107.0750	0.000	1	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(COO)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.3210	0.000	1	108.3210	0.000	1	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(COO)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(COO)(H){2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	110.0595	1.129	2	110.0595	1.275	2	108.6026	1.812	13	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5]2C)	107.3590	0.000	1	108.1043	0.474	3	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.4770	0.338	2	108.1043	0.474	3	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[5]C[5]2C)	110.8663	2.419	3	110.8663	5.853	3	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	106.3670	0.000	1	106.3670	0.000	1	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5]2C)	106.8690	0.000	1	106.8690	0.000	1	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.5300	0.000	1	107.9215	0.307	2	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5]2C)	108.3130	0.000	1	107.9215	0.307	2	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(COO)(H){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2C)	109.3895	1.422	2	109.3895	2.022	2	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2C)	109.1160	0.000	1	109.1160	0.000	1	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H){2|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2C)	109.4390	0.000	1	109.4390	0.000	1	108.8089	3.203	14	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.4133	0.552	4	107.4133	0.304	4	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.7125	0.039	2	108.7125	0.002	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CNO)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2C)	109.0355	0.095	2	109.0355	0.009	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.5710	0.000	1	107.9835	0.340	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.3960	0.000	1	107.9835	0.340	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	106.4030	0.000	1	106.4030	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	106.0750	1.571	2	106.3793	1.111	7	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.5375	0.112	2	106.3793	1.111	7	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	105.3870	0.000	1	106.3793	1.111	7	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.0215	0.278	2	106.3793	1.111	7	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	110.5820	2.380	3	110.5820	5.665	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.9275	0.180	2	107.9275	0.033	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	107.5903	0.303	3	107.5903	0.092	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.6775	0.137	4	108.6775	0.019	4	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2C)	103.8310	0.000	1	103.8310	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2C)	105.7250	0.000	1	106.2060	0.463	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2C)	106.6870	0.000	1	106.2060	0.463	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2C)	107.5166	0.627	12	107.6078	0.469	13	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2C)	108.7030	0.000	1	107.6078	0.469	13	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.0130	0.000	1	108.0130	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.4820	0.293	3	107.2927	0.466	6	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	105.9650	0.000	1	107.2927	0.466	6	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.6725	0.015	2	107.2927	0.466	6	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.1835	0.158	2	108.7281	0.200	8	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.5470	0.295	3	108.7281	0.200	8	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6430	0.798	2	108.7281	0.200	8	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.5310	0.000	1	108.7281	0.200	8	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.1240	0.000	1	109.1240	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	107.3440	0.000	1	108.1315	1.240	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.9190	0.000	1	108.1315	1.240	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	109.3610	0.000	1	109.9967	2.215	10	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	110.0673	1.561	9	109.9967	2.215	10	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.0025	0.937	2	109.0025	0.878	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.5035	0.114	2	109.5035	0.013	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.7420	0.000	1	109.7420	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.2280	0.700	2	109.2280	0.490	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.8920	0.000	1	106.8920	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	108.3555	0.012	2	108.2703	0.022	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.1000	0.000	1	108.2703	0.022	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2C)	106.8490	0.406	7	106.8490	0.165	7	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.8120	0.000	1	108.4570	0.832	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]2C)	109.1020	0.000	1	108.4570	0.832	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.1340	0.000	1	109.1340	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	108.3020	0.000	1	108.3020	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<2>,2|C<2>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.4700	0.552	2	108.4700	0.304	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	109.3790	0.000	1	109.3790	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	108.5420	0.000	1	108.5420	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	109.2825	0.253	4	109.2825	0.064	4	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	109.3208	0.461	26	109.3208	0.212	26	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2C)	108.0860	0.018	2	108.4274	0.342	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	108.3910	0.748	2	108.4274	0.342	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2C)	109.1830	0.000	1	108.4274	0.342	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	116.7843	1.467	3	111.4813	10.900	12	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	109.6532	0.637	8	111.4813	10.900	12	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2C)	110.1960	0.000	1	111.4813	10.900	12	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.5720	0.000	1	108.5720	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.6190	0.033	2	106.6190	0.001	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	108.9480	0.000	1	108.9480	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.1445	0.293	2	109.1445	0.086	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.9940	0.672	3	107.9940	0.452	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	108.9950	0.000	1	108.9950	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.4845	0.097	2	109.4845	0.009	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.3160	0.521	4	107.3160	0.271	4	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.6800	1.708	2	108.0777	1.934	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CNO)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.8730	0.000	1	108.0777	1.934	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.5810	0.844	2	107.5810	0.713	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(COO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2C)	106.8220	0.000	1	106.8220	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	109.3310	0.000	1	109.3310	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2C)	110.8110	0.000	1	110.8110	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(COO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	106.6980	0.000	1	106.6980	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)(H){1|C<3>,1|O<2>,1|S<4>}	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.7620	0.000	1	108.7620	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(H){1|C<2>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.8400	0.000	1	109.8400	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CC[6a]O)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	111.0930	0.000	1	111.0930	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.9000	0.000	1	108.9000	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	108.9760	0.000	1	108.9760	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.3330	0.000	1	107.3330	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.3190	0.000	1	107.3190	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7075	0.109	4	108.7075	0.012	4	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.1030	0.000	1	109.1030	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCH)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.6450	0.149	4	108.6450	0.022	4	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.4260	0.048	2	108.4260	0.002	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CNO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	108.6945	0.729	2	108.6945	0.531	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CNO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.7120	0.646	2	108.7120	0.418	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.2330	0.000	1	105.8940	14.681	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	105.3092	4.159	4	105.8940	14.681	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(COO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.8480	0.000	1	110.8480	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.7530	0.000	1	110.7530	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2C)	106.6240	0.000	1	106.6240	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|Re<7>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	106.5860	0.000	1	106.5860	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|Re<7>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.0910	0.000	1	109.0910	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]ReH)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|Re<7>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.2810	0.000	1	110.2810	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.4250	0.000	1	109.4250	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.6830	0.235	2	108.6830	0.055	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.8300	0.000	1	110.8300	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	110.1650	0.000	1	110.1650	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.2837	0.295	3	109.2837	0.087	3	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	106.0650	0.000	1	106.0650	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7280	0.000	1	108.7280	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.8410	0.000	1	108.8410	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.2160	0.000	1	110.2160	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.1170	0.164	2	108.1170	0.027	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.9290	1.441	2	108.9290	2.077	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	111.5500	0.000	1	111.5500	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|Cu<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.4900	0.000	1	108.8708	3.612	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	109.6465	0.433	2	108.8708	3.612	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	106.4260	0.000	1	108.8708	3.612	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	111.1450	0.000	1	108.8708	3.612	5	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	110.3505	1.077	2	110.3505	1.160	2	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.0770	0.000	1	110.0770	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.9950	0.000	1	109.9950	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.6800	0.000	1	109.6800	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	111.0140	0.000	1	111.0140	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	106.3640	0.000	1	106.3640	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]HH)(CCH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	109.7740	0.000	1	109.7740	0.000	1	108.6351	3.007	235	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.7220	0.000	1	107.7220	0.000	1	108.3420	0.769	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.9620	0.000	1	108.9620	0.000	1	108.3420	0.769	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H)	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	108.4665	1.435	2	108.4665	2.058	2	108.8307	1.427	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H){2|O<1>,3|C<3>}	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	109.5590	0.000	1	109.5590	0.000	1	108.8307	1.427	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]3)	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]3)	109.0280	0.000	1	109.0280	0.000	1	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]3)	108.1570	0.000	1	108.1570	0.000	1	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2{1|O<1>,5|C<3>}	H(C[5]C[5]3)	106.8480	0.000	1	106.8480	0.000	1	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]3)	109.0860	0.000	1	109.0860	0.000	1	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	109.6380	0.000	1	109.6380	0.000	1	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|S<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(C[5]C[5]3)	108.6140	0.000	1	108.6140	0.000	1	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]3)	106.8550	0.000	1	106.8550	0.000	1	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	108.1080	0.429	2	108.1080	0.184	2	108.2713	0.938	9	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H){1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2C[6])	107.9030	0.000	1	107.9030	0.000	1	108.5817	0.349	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2C[6])	108.9820	0.000	1	108.9820	0.000	1	108.5817	0.349	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2{4|C<3>,4|H<1>}	H(C[5]C[5]2C[6])	108.8600	0.000	1	108.8600	0.000	1	108.5817	0.349	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.4210	0.000	1	108.4210	0.000	1	108.7420	0.206	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.0630	0.000	1	109.0630	0.000	1	108.7420	0.206	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.2350	0.000	1	107.2350	0.000	1	107.9103	0.341	4	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2{2|C<2>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.2260	0.000	1	108.2260	0.000	1	107.9103	0.341	4	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.5390	0.000	1	108.5390	0.000	1	107.9103	0.341	4	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6410	0.000	1	107.6410	0.000	1	107.9103	0.341	4	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.1500	0.433	2	106.1500	0.187	2	107.6774	2.487	7	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]2)	106.8460	0.000	1	106.8460	0.000	1	107.6774	2.487	7	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[5]C[6a]C[5]2)	106.8930	0.000	1	106.8930	0.000	1	107.6774	2.487	7	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.8395	0.746	2	108.8395	0.557	2	107.6774	2.487	7	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	110.0240	0.000	1	110.0240	0.000	1	107.6774	2.487	7	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(NCC)(H){1|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2N)	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2N)	109.0070	0.000	1	109.0070	0.000	1	110.8520	2.233	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(NCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HH)2(NCH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2N)	111.3133	1.248	4	111.3133	1.558	4	110.8520	2.233	5	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(NCH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(NCH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2{2|C<2>,3|C<3>}	H(C[5]C[5]2N)	108.4220	0.000	1	108.4220	0.000	1	108.6920	0.146	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H)	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H){2|C<4>}	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5]2N)	108.9620	0.000	1	108.9620	0.000	1	108.6920	0.146	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H){4|H<1>}	H(C[5]C[5]2N)	111.2290	0.000	1	111.2290	0.000	1	110.3075	1.698	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2N)	109.3860	0.000	1	109.3860	0.000	1	110.3075	1.698	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2	H(C[5]C[5]2N)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2{2|H<1>}	H(C[5]C[5]2N)	104.6400	0.000	1	104.6400	0.000	1	104.6400	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2N)	108.3350	0.000	1	108.3350	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|Br<1>,3|H<1>}	H(C[5]C[5]2N)	111.2020	0.000	1	111.2020	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NBC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NBC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]2N)	108.2895	0.086	2	108.2895	0.007	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2N)	107.0750	0.000	1	107.0750	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2N)	107.0240	0.000	1	107.0240	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NC[5]Zn)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NC[5]Zn)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2N)	109.0983	0.355	4	109.0983	0.126	4	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2N)	110.8540	0.000	1	109.8733	0.352	7	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]2N)	109.8185	0.532	4	109.8733	0.352	7	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2N)	109.4925	0.016	2	109.8733	0.352	7	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2N)	107.5075	0.289	2	107.5075	0.084	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]2N)	109.5423	0.464	6	109.5423	0.216	6	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiC)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2N)	109.6117	0.362	3	109.6117	0.131	3	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]2N)	110.0650	0.209	2	109.7438	0.265	4	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2N)	109.4225	0.582	2	109.7438	0.265	4	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2N)	110.2500	0.904	3	109.5132	2.716	4	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2N)	107.3030	0.000	1	109.5132	2.716	4	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.8668	0.785	6	108.8668	0.616	6	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2N)	108.6820	0.215	2	108.6820	0.046	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.8092	0.550	34	108.8092	0.302	34	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.6980	0.000	1	108.6980	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2N)	106.5165	0.129	2	106.5165	0.017	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2N)	108.7465	0.576	29	108.7465	0.332	29	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H)	C[5](C[5]C[5]HN)2(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2N)	110.3900	0.147	2	110.3900	0.022	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2N)	110.1440	0.000	1	109.3545	1.247	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2N)	108.5650	0.000	1	109.3545	1.247	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2N)	109.3640	0.000	1	109.3640	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2N)	108.0280	0.000	1	108.0280	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	109.1210	0.000	1	109.1210	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NHS)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2N)	110.7970	0.000	1	110.7970	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2N)	110.4780	0.000	1	110.4780	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2N)	108.8885	0.262	2	108.8885	0.069	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NHS)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2N)	109.1770	0.000	1	109.1770	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2N)	109.2705	0.012	2	109.2705	0.000	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	107.8260	0.608	2	107.8260	0.370	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	107.9070	0.693	2	106.7294	4.465	12	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCC)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2N)	109.0180	0.000	1	106.7294	4.465	12	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	106.2134	2.186	9	106.7294	4.465	12	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCC)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.9310	0.000	1	108.9310	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2N)	112.1070	0.000	1	112.1070	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2N)	109.1330	0.000	1	109.7209	0.387	13	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	109.7699	0.623	12	109.7209	0.387	13	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	110.2880	0.000	1	110.2880	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCH)(H)	C[5](C[5]C[5]HN)2(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)2(H)2{4|H<1>}	H(C[5]C[5]2N)	109.5910	0.000	1	109.1333	0.159	3	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCH)(H)	C[5](C[5]C[5]HN)2(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCH)(H){2|H<1>,2|N<3>}	C[5](C[5]C[5]HN)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2N)	108.9045	0.060	2	109.1333	0.159	3	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NC[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NC[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	107.2990	0.030	2	107.2990	0.001	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NC[5a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NC[5a]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.6445	0.073	4	108.6445	0.005	4	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NC[6a]Al)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NC[6a]Al)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.0458	0.271	6	108.0458	0.074	6	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NC[6a]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NC[6a]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.3170	0.031	2	108.3170	0.001	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NCuC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NCuC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	107.3228	0.286	10	107.3228	0.082	10	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.4200	1.414	2	108.4200	2.000	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NHP)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NHP)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.6240	0.079	3	108.6240	0.006	3	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NHS)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NHS)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	108.3510	0.000	1	108.3510	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NHS)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.3850	0.000	1	108.3850	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	110.4400	0.007	2	110.4400	0.000	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NNiC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NNiC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	107.2240	0.017	2	107.2240	0.000	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2N)	108.3770	0.000	1	108.3770	0.000	1	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2N)	110.1710	0.000	1	112.1930	8.177	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2N)	114.2150	0.000	1	112.1930	8.177	2	108.7612	1.570	195	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(NCH)(H){2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2N)	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<10>,2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	107.4416	0.732	5	107.4416	0.536	5	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2N[5])	109.4050	0.000	1	109.1445	0.136	2	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2N[5])	108.8840	0.000	1	109.1445	0.136	2	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2N[5])	108.2460	0.000	1	108.2460	0.000	1	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	109.0090	0.000	1	108.3930	3.355	5	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	106.4485	0.009	2	108.3930	3.355	5	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2N[5])	110.0295	0.349	2	108.3930	3.355	5	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.6810	0.000	1	109.5387	0.515	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	109.7742	0.733	4	109.5387	0.515	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.4540	0.000	1	109.5387	0.515	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2N[5])	107.9660	0.000	1	109.1548	6.760	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2N[5])	105.1440	0.000	1	109.1548	6.760	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	112.4330	0.000	1	109.1548	6.760	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2N[5])	111.4750	0.000	1	109.1548	6.760	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2N[5])	108.9555	0.298	2	109.1548	6.760	6	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2N[5])	109.5700	0.000	1	109.5700	0.000	1	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	110.4290	0.000	1	111.0675	3.148	4	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2N[5])	112.7550	0.000	1	111.0675	3.148	4	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	108.8640	0.000	1	111.0675	3.148	4	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2N[5])	112.2220	0.000	1	111.0675	3.148	4	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	110.8630	0.000	1	109.9985	1.495	2	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.1340	0.000	1	109.9985	1.495	2	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2N[5])	108.7120	0.000	1	108.7120	0.000	1	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2N[5])	110.2023	0.040	3	110.2023	0.002	3	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Ga<4>,3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	107.9160	0.000	1	107.1690	1.116	2	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|In<4>,3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	106.4220	0.000	1	107.1690	1.116	2	109.0885	2.996	38	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[6])	106.8185	0.936	2	106.8185	0.875	2	108.8374	1.019	22	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2N[6])	107.4085	0.029	2	108.8056	0.834	12	108.8374	1.019	22	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[6])	109.3560	0.202	4	108.8056	0.834	12	108.8374	1.019	22	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[6])	109.4267	0.447	4	108.8056	0.834	12	108.8374	1.019	22	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2N[6])	107.8595	0.022	2	108.8056	0.834	12	108.8374	1.019	22	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2N[6])	109.3420	0.198	4	109.3899	0.107	8	108.8374	1.019	22	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2N[6])	109.4377	0.453	4	109.3899	0.107	8	108.8374	1.019	22	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|P<3>,2|O<2>,3|H<1>}	H(C[5]C[5]2P[5])	111.1935	1.030	2	111.1935	1.061	2	111.1935	1.061	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,2|H<1>}	H(C[5]C[5]2S)	110.7710	0.000	1	109.7213	0.883	3	110.3328	2.710	10	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,3|H<1>}	H(C[5]C[5]2S)	109.1965	0.337	2	109.7213	0.883	3	110.3328	2.710	10	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SAl2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SAl2)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2S)	109.7315	0.006	2	109.7315	0.000	2	110.3328	2.710	10	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[5a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[5a]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2S)	109.9733	0.279	4	109.9733	0.078	4	110.3328	2.710	10	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2S)	114.8080	0.000	1	114.8080	0.000	1	110.3328	2.710	10	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2C[6])	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2{2|C<3>,4|C<4>}	H(C[5]C[5]C[6]N[5])	108.2065	0.360	2	108.2065	0.130	2	108.2065	0.130	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	107.2500	0.146	2	107.2500	0.021	2	107.2500	0.021	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7075	0.710	6	109.7075	0.505	6	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.8125	1.370	2	109.8125	1.876	2	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	110.7490	0.000	1	110.7490	0.000	1	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	110.6587	0.223	3	110.6587	0.050	3	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.9781	0.500	7	109.9781	0.250	7	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){1|S<2>,3|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	114.5530	0.000	1	114.5530	0.000	1	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	111.5420	0.000	1	111.5420	0.000	1	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.8060	0.000	1	109.8060	0.000	1	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]N[5]C)	109.4560	0.014	2	109.4560	0.000	2	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.3350	0.000	1	109.3350	0.000	1	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1066	0.497	5	109.9101	1.889	51	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	110.1061	1.295	46	109.9101	1.889	51	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.9144	0.356	5	109.9144	0.127	5	109.9948	1.600	81	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	H(C[5]C[5]2N[5])	108.0050	0.072	2	108.0050	0.005	2	108.0050	0.005	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.4465	0.687	2	108.4465	0.471	2	108.4465	0.471	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]N[5]Si)	110.3540	0.000	1	110.3540	0.000	1	111.3180	1.859	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]Si)	112.2820	0.000	1	112.2820	0.000	1	111.3180	1.859	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H){2|O<2>,3|H<1>,5|C<4>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2C[6])	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2C[6])	106.9330	0.000	1	106.9330	0.000	1	107.0233	1.638	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C[6])	105.7910	0.000	1	105.7910	0.000	1	107.0233	1.638	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5]2C[6])	108.3460	0.000	1	108.3460	0.000	1	107.0233	1.638	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]C[6]N[5])	108.5530	0.000	1	108.5530	0.000	1	109.1942	0.215	4	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]C[6]N[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]C[6]N[5])	109.4080	0.220	3	109.4080	0.048	3	109.1942	0.215	4	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2	H(C[5]N[5,5,6]C[5]C)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]N[5,5,6]C[5]C)	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H){2|C<3>,8|H<1>}	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]C)	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5,5]NiC)(C[5]C[5,5]HH)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5,5]NiC)(C[5]C[5,5]HH)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4115	1.143	2	109.4115	1.307	2	109.4115	1.307	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4557	0.691	8	109.4557	0.477	8	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]N[5]C)	107.1370	0.560	2	107.1370	0.314	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4375	0.004	2	109.4375	0.000	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.3860	0.614	2	110.3860	0.377	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.3850	0.000	1	108.3850	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0170	0.000	1	110.0170	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0850	0.000	1	109.1860	1.616	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.2870	0.000	1	109.1860	1.616	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2530	0.501	2	109.7174	0.296	7	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4700	0.000	1	109.7174	0.296	7	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0115	0.479	4	109.7174	0.296	7	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	107.8390	0.000	1	107.8390	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<8>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1540	1.028	2	108.1540	1.057	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.2903	0.609	36	109.2903	0.371	36	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.9940	0.045	2	109.9940	0.002	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8594	0.617	5	108.8594	0.381	5	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8720	0.483	7	108.8720	0.233	7	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PtH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,3|H<1>}	H(C[5]C[5]N[5]C)	110.0590	0.000	1	110.0590	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5080	0.000	1	109.5080	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6460	0.000	1	108.6460	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	H(C[5]C[5]N[5]C)	109.1920	0.000	1	109.1920	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8980	0.190	2	109.8980	0.036	2	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.1330	0.000	1	109.1330	0.000	1	109.2433	0.577	85	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(C[5]N[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zn<4>,2|N<3>,3|H<1>}	H(C[5]C[5]2N[5])	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-3:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H)	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H){6|C<3>}	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2{6|C<3>}	H(C[5]C[5]P[5]C)	106.0690	0.000	1	106.0690	0.000	1	106.0690	0.000	1	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.7700	0.000	1	107.7700	0.000	1	107.6265	0.041	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.4830	0.000	1	107.4830	0.000	1	107.6265	0.041	2	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]P[5])	107.2370	1.062	2	107.2370	1.128	2	107.1643	0.580	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	H(C[5]C[6a]C[5]P[5])	107.0190	0.000	1	107.0190	0.000	1	107.1643	0.580	3	108.7530	2.369	1002	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[3,5]C[5]2)	110.5220	0.000	1	110.5220	0.000	1	108.5680	1.698	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[3,5]C[5]2)	107.9167	0.038	3	107.9167	0.001	3	108.5680	1.698	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	H(C[5]C[5,5,6,6]C[5]C)	108.0840	0.190	2	108.0840	0.036	2	108.0840	0.036	2	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	H(C[5]C[5,5,6,6]C[5]C)	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]N[5])	110.4300	0.000	1	110.4300	0.000	1	109.5628	0.452	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]N[5])	109.2737	0.421	3	109.2737	0.177	3	109.5628	0.452	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OMn2)(H){1|O<2>,1|O<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Mn<4>,1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]O)	109.4350	0.427	2	109.4350	0.182	2	109.4350	0.182	2	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	H(C[5]C[5,6]C[5]C)	107.6000	0.000	1	107.6000	0.000	1	107.4585	0.146	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.0600	0.000	1	107.1550	0.018	2	107.4585	0.146	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]C)	107.2500	0.000	1	107.1550	0.018	2	107.4585	0.146	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.9240	0.000	1	107.9240	0.000	1	107.4585	0.146	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H){2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5a]C[5])	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H)	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[4]O[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2C)	107.9300	1.282	4	107.9300	1.642	4	107.9300	1.642	4	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.5650	1.631	2	107.5650	2.659	2	107.5650	2.659	2	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	105.8670	0.000	1	105.8670	0.000	1	105.8670	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	90.2468	0.233	2	90.2468	0.054	2	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	110.6980	0.000	1	110.6980	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.2820	0.000	1	108.2820	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.2950	0.276	2	107.9745	1.495	11	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.1254	1.311	9	107.9745	1.495	11	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)2(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.2070	0.000	1	107.2070	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	H(C[5]C[5]2C)	107.8410	0.000	1	107.8410	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	H(C[5]C[5]2C)	107.4420	0.000	1	107.4420	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	H(C[5]C[5]2C)	106.4385	1.365	2	106.4385	1.864	2	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.6490	0.000	1	106.6110	0.003	2	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.5730	0.000	1	106.6110	0.003	2	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(C[5]C[5]2C)	108.9340	0.000	1	108.9340	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)2(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	H(C[5]C[5]2C)	109.1540	0.349	2	109.1540	0.122	2	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(C[5]C[5]2C)	107.9743	0.621	3	107.9743	0.385	3	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.3375	0.421	4	107.6658	0.672	5	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(C[5]C[5]2C)	108.9790	0.000	1	107.6658	0.672	5	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2C)	109.5130	0.134	2	109.5130	0.018	2	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	110.8310	0.000	1	110.8310	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.5630	0.000	1	107.5630	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){2|H<1>,2|O<1>}	H(C[5]C[5]2C)	108.4360	1.450	2	108.4360	2.101	2	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(C[5]C[5]2C)	109.3080	0.000	1	109.3080	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.7830	0.000	1	108.7830	0.000	1	107.2600	16.678	41	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|O<2>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H){1|H<1>,2|C<3>,2|C<4>,4|O<2>}	H(C[5]C[5]3)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	H(C[5]C[5]3)	110.1420	0.000	1	110.1420	0.000	1	107.3136	10.484	11	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5]3)	109.3260	0.000	1	109.3260	0.000	1	107.3136	10.484	11	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]3)	108.9605	1.742	2	108.8032	1.044	4	107.3136	10.484	11	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]3)	108.6460	0.000	2	108.8032	1.044	4	107.3136	10.484	11	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]3)	103.5557	4.363	3	105.1538	14.365	5	107.3136	10.484	11	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]3)	107.2100	0.000	1	105.1538	14.365	5	107.3136	10.484	11	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]3)	107.8920	0.000	1	105.1538	14.365	5	107.3136	10.484	11	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H){1|C<3>,1|N<3>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[6a]C[5]2)	105.1090	0.017	2	105.1090	0.000	2	105.1090	0.000	2	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<2>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2N)	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){1|Br<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2N)	109.3840	0.000	1	109.3840	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H){4|H<1>}	H(C[5]C[5]2N)	108.0020	0.000	1	108.0020	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2N)	108.5340	0.000	1	108.5340	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	H(C[5]C[5]2N)	109.3770	0.000	1	109.3770	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<4>}	H(C[5]C[5]2N)	106.2810	0.000	1	106.2810	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.1458	1.203	5	108.1458	1.448	5	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2N)	108.9430	0.000	1	108.9430	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2N)	108.3690	0.000	1	108.3690	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2N)	111.7340	0.000	1	111.7340	0.000	1	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(C[5]C[5]2N)	111.7480	0.803	2	111.7480	0.645	2	108.9899	2.997	15	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]2N[5])	110.0413	1.269	3	110.0413	1.611	3	110.0413	1.611	3	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	107.0920	0.000	1	107.0920	0.000	1	108.0147	0.638	3	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5]C[5]2N[5])	108.4760	0.000	2	108.4760	0.000	2	108.0147	0.638	3	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.6470	0.000	1	109.6470	0.000	1	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	105.5740	0.000	1	105.5740	0.000	1	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5]C[5]2N[5])	108.1860	0.000	1	108.6670	0.463	2	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	H(C[5]C[5]2N[5])	109.1480	0.000	1	108.6670	0.463	2	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	110.2200	0.061	3	110.2200	0.004	3	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	110.1050	0.000	1	110.1050	0.000	1	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<4>,2|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5]2N[5])	108.4500	0.000	2	108.4500	0.000	2	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2N[5])	110.0880	0.000	1	110.0880	0.000	1	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	111.0250	0.000	1	111.0250	0.000	1	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2N[5])	109.3090	0.000	1	109.3090	0.000	1	109.2802	1.958	13	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:O[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5]2O[5])	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]Mn)(H){1|H<1>,1|O<3>,4|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Mn<4>,1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2O[5])	109.9400	0.352	2	109.9400	0.124	2	109.9400	0.124	2	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.8270	0.000	1	111.8270	0.000	1	111.4647	3.017	3	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.5750	0.000	1	109.5750	0.000	1	111.4647	3.017	3	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	112.9920	0.000	1	112.9920	0.000	1	111.4647	3.017	3	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:1:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	H(C[5]Si[5]C[5]C)	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	108.1149	8.413	126	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH)	H(C[5]C[5]3)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|O<2>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5]3)	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(COO)(H)	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO){3|C<3>}	H(C[5]C[5,5]C[5]C)	105.4970	0.042	2	105.4970	0.002	2	105.4970	0.002	2	105.4970	0.002	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]CH)(O[5]N[5])(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]C)(C[5]N[5]CH)(COO)(H){4|C<4>}	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]CH)(O[5]N[5])(CH3){2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.2275	0.218	2	108.2275	0.048	2	108.2275	0.048	2	107.8500	2.214	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[5]C[5]3)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	107.8500	2.214	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2N[5])	105.4610	0.000	1	105.4610	0.000	1	107.4945	8.270	2	107.8500	2.214	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5]2N[5])	109.5280	0.000	1	109.5280	0.000	1	107.4945	8.270	2	107.8500	2.214	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3]C[5]2)	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H)	H(C[5]C[3x5,6]C[5]2)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>,8|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>,8|C<4>}	H(C[5]C[3x5,6]C[5]2)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[4,5]C[6a]C[5])	108.7510	0.000	1	107.3875	3.718	2	107.3875	3.718	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[4,5]C[6a]C[5])	106.0240	0.000	1	107.3875	3.718	2	107.3875	3.718	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4]C[5]N[5])	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[4]C[5]N[5])	106.8648	0.277	4	106.8648	0.077	4	106.8648	0.077	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.4040	0.000	1	108.4040	0.000	1	109.4090	2.020	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]C)	110.4140	0.000	1	110.4140	0.000	1	109.4090	2.020	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.6770	0.311	2	108.6770	0.097	2	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.6750	0.000	1	107.6750	0.000	1	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	109.9930	0.000	1	107.9234	1.490	7	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.5235	0.513	2	107.9234	1.490	7	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.2370	0.000	1	107.9234	1.490	7	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	106.6940	0.000	1	107.9234	1.490	7	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.2465	0.882	2	107.9234	1.490	7	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	108.4900	0.000	1	108.8916	0.300	5	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	109.3690	0.000	1	108.8916	0.300	5	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	109.5880	0.000	1	108.8916	0.300	5	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.5055	0.161	2	108.8916	0.300	5	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.9315	0.825	2	107.9315	0.681	2	108.2832	0.913	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.0405	0.363	2	107.0405	0.132	2	107.0405	0.132	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)2(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]CH)2(COO)(H){4|C<3>}	H(C[5]C[5,5]C[5]C)	107.2070	0.905	6	107.2070	0.820	6	107.6993	1.147	9	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.1260	0.000	1	108.1260	0.000	1	107.6993	1.147	9	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H){2|C<3>}	H(C[5]C[5,5]C[5]C)	108.6110	0.000	1	108.6110	0.000	1	107.6993	1.147	9	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CC)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H){1|C<3>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CC)(COO)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]C)	109.3150	0.000	1	109.3150	0.000	1	107.6993	1.147	9	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]C)	108.4225	0.791	2	108.4225	0.626	2	109.0772	0.944	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]C)	109.7320	0.701	2	109.7320	0.492	2	109.0772	0.944	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]C)	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H){1|H<1>,1|N<3>,2|C<4>,2|N<2>,6|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]2)	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5a]C[5])	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3930	0.000	1	108.3930	0.000	1	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9605	0.443	2	107.9605	0.197	2	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1120	0.226	2	108.0829	0.071	7	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7850	0.000	1	108.0829	0.071	7	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.5570	0.000	1	108.0829	0.071	7	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9330	0.092	2	108.0829	0.071	7	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1480	0.000	1	108.0829	0.071	7	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.0240	0.000	1	108.1346	0.435	5	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3520	0.000	1	108.1346	0.435	5	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6910	0.000	1	108.1346	0.435	5	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.8030	1.072	2	108.1346	0.435	5	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.4885	0.013	2	108.4885	0.000	2	108.1496	0.172	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H){1|H<1>,1|N<3>,2|C<4>,2|N<2>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.0010	0.000	1	108.1170	0.027	2	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.2330	0.000	1	108.1170	0.027	2	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2100	0.000	1	106.4945	1.024	2	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7790	0.000	1	106.4945	1.024	2	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7250	0.000	1	107.0140	1.011	2	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3030	0.000	1	107.0140	1.011	2	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.7620	0.000	1	108.7620	0.000	1	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5690	0.000	1	107.5690	0.000	1	107.4477	0.985	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5530	0.000	1	106.6155	0.008	2	106.8948	0.147	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6780	0.000	1	106.6155	0.008	2	106.8948	0.147	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1630	0.000	1	106.8795	0.211	4	106.8948	0.147	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5010	0.000	1	106.8795	0.211	4	106.8948	0.147	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9270	0.636	2	106.8795	0.211	4	106.8948	0.147	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3440	0.000	1	107.2045	0.039	2	106.8948	0.147	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0650	0.000	1	107.2045	0.039	2	106.8948	0.147	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0860	0.000	1	107.6673	0.283	3	107.6673	0.283	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7870	0.000	1	107.6673	0.283	3	107.6673	0.283	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1290	0.000	1	107.6673	0.283	3	107.6673	0.283	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]N)	109.1680	0.000	1	108.9555	0.090	2	108.8997	0.062	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]N)	108.7430	0.000	1	108.9555	0.090	2	108.8997	0.062	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]N)	109.1120	0.000	1	108.8620	0.103	4	108.8997	0.062	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]N)	108.7260	0.000	1	108.8620	0.103	4	108.8997	0.062	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]N)	108.8050	0.471	2	108.8620	0.103	4	108.8997	0.062	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]N)	108.8080	0.000	1	108.9195	0.025	2	108.8997	0.062	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]N)	109.0310	0.000	1	108.9195	0.025	2	108.8997	0.062	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]N)	108.7530	0.000	1	108.7530	0.000	1	108.0720	0.928	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NHH)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NHH)(H){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]N)	107.3910	0.000	1	107.3910	0.000	1	108.0720	0.928	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	108.4270	0.000	1	108.4270	0.000	1	108.7690	0.234	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	109.1110	0.000	1	109.1110	0.000	1	108.7690	0.234	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H){1|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5,6]C[5]C)	108.4155	0.112	2	108.4155	0.013	2	108.4155	0.013	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	110.3180	0.000	2	110.3180	0.000	2	110.3180	0.000	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.3430	0.000	1	107.3430	0.000	1	109.0670	5.944	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]C)	110.7910	0.000	1	110.7910	0.000	1	109.0670	5.944	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H){2|H<1>,6|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	108.4910	1.492	2	108.4910	2.226	2	108.3440	0.788	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H){2|C<2>,5|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	108.3560	0.000	1	108.3560	0.000	1	108.3440	0.788	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]C)	108.0380	0.000	1	108.0380	0.000	1	108.3440	0.788	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H){1|Cr<9>,1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H){1|Cr<9>,1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]2)	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2370	0.318	2	108.2370	0.101	2	108.2370	0.101	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H){1|H<1>,2|O<2>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.7130	0.092	2	107.7130	0.008	2	107.7130	0.008	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.5300	0.000	1	106.5300	0.000	1	107.3764	1.157	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5060	0.000	1	108.5060	0.000	1	107.3764	1.157	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.5650	0.016	2	107.9393	0.541	4	107.3764	1.157	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.3135	0.240	2	107.9393	0.541	4	107.3764	1.157	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1090	0.075	2	106.1090	0.006	2	107.3764	1.157	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:N-3:Br-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.4780	0.000	1	106.4780	0.000	1	106.4780	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.2450	0.380	2	106.2450	0.145	2	106.2450	0.145	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HN)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]N)	114.6510	0.000	2	114.6510	0.000	2	114.6510	0.000	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]N)	110.3435	0.134	2	110.3435	0.018	2	110.3435	0.018	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]N)	108.1897	1.117	3	108.1897	1.247	3	108.1897	1.247	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C-3:H-1:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H)	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]C)	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.7225	2.321	2	106.7225	5.389	2	106.7225	5.389	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H)	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CC)(COO)(H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CC)(COO)(H){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CH)(COO)(H){1|C<3>,4|C<4>}	H(C[5]C[5]2C)	108.8500	0.000	1	108.8500	0.000	1	107.8736	0.443	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(COO)(H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8550	0.000	1	107.8550	0.000	1	107.8736	0.443	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.9910	0.000	1	108.9910	0.000	1	107.8736	0.443	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)2(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)2(COO)(H){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5]2C)	107.4586	0.096	5	107.4586	0.009	5	107.8736	0.443	8	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.8990	0.000	1	107.8990	0.000	1	108.0255	0.032	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.1520	0.000	1	108.1520	0.000	1	108.0255	0.032	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	106.6243	1.970	3	106.6243	3.882	3	106.6243	3.882	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2C)	108.1860	0.892	2	107.9158	0.368	4	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.6455	0.121	2	107.9158	0.368	4	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.0365	1.257	2	108.5215	0.934	4	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.0065	0.404	2	108.5215	0.934	4	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)2(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCO)(H){4|H<1>}	H(C[5]C[5]2C)	105.9000	0.000	1	105.9000	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7840	0.000	1	107.7840	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.3860	0.000	1	107.3860	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.7890	0.000	1	108.4300	0.258	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.0710	0.000	1	108.4300	0.258	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.2020	0.000	1	109.2020	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.4625	0.319	2	108.4625	0.102	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.0545	0.721	2	109.0545	0.519	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8650	0.000	1	107.8650	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)2(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.8170	0.000	1	106.8170	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	110.5020	0.000	1	110.5020	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2C)	105.3280	0.000	2	105.3280	0.000	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.3290	2.228	3	108.3290	4.962	3	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.3000	0.000	1	107.3000	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	106.9710	0.000	1	106.9710	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.7015	0.343	2	107.7015	0.118	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.9100	0.365	2	109.9100	0.133	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	108.6530	2.140	2	108.6530	4.578	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	110.3530	0.184	3	110.3530	0.034	3	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	108.4853	0.102	3	108.4853	0.010	3	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	108.2850	1.756	2	108.2850	3.085	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.0910	1.882	2	109.0910	3.543	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.4750	0.000	1	110.4750	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)(H){1|C<4>,1|O<2>}	H(C[5]C[5]2C)	108.5240	0.000	1	108.5240	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.7235	0.555	2	107.7235	0.308	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.2920	0.000	1	108.2920	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2450	0.000	1	109.2450	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(COO)(H)	C[5](C[5]C[5]CH)2(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.3190	0.000	1	109.3190	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.0200	0.000	1	107.0200	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]2C)	108.4320	0.000	1	108.2050	0.103	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.9780	0.000	1	108.2050	0.103	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.9320	0.000	1	108.9320	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.2540	0.000	1	109.2540	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H){2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	H(C[5]C[5]2C)	109.2515	1.592	2	109.2515	2.534	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.5660	0.000	2	110.5660	0.000	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.8800	0.000	1	110.8800	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.9200	3.362	3	109.9200	11.301	3	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.8120	0.000	1	110.8120	0.000	1	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.7263	1.142	6	109.7263	1.304	6	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.7765	0.214	2	109.7765	0.046	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.7680	0.266	2	109.7680	0.071	2	108.7768	2.203	75	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.1435	1.476	2	106.9748	2.547	4	106.9748	2.547	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	105.8060	0.000	2	106.9748	2.547	4	106.9748	2.547	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.0550	0.000	1	107.0550	0.000	1	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.7030	0.000	1	107.7030	0.000	1	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)2(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(NCH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.4870	0.000	1	110.4870	0.000	1	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H)	C[5](C[5]C[5]CH)2(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(NCH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.3640	0.000	1	109.3640	0.000	1	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	H(C[5]C[5]2C)	108.5670	0.000	1	108.5670	0.000	1	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.2747	0.305	4	109.3031	0.180	31	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){4|H<1>}	H(C[5]C[5]2C)	109.3073	0.444	27	109.3031	0.180	31	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.4210	0.648	2	109.5029	0.586	10	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){4|H<1>}	H(C[5]C[5]2C)	109.7734	0.525	8	109.5029	0.586	10	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)2(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(NCC)(H){4|H<1>}	H(C[5]C[5]2C)	112.1500	0.792	3	112.1500	0.627	3	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	100.9500	0.000	1	100.9500	0.000	1	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.3153	0.888	3	110.3153	0.789	3	109.3386	2.318	53	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.6040	0.000	1	106.6040	0.000	1	107.8060	2.890	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	H(C[5]C[5]2C)	109.0080	0.000	1	109.0080	0.000	1	107.8060	2.890	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2C)	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]2C)	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]3)	110.8035	4.389	2	109.7612	7.870	4	109.7612	7.870	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	108.7190	0.000	2	109.7612	7.870	4	109.7612	7.870	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|S<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|S<1>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.4170	0.000	1	108.6650	0.123	2	108.6650	0.123	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.9130	0.000	1	108.6650	0.123	2	108.6650	0.123	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.5820	0.250	2	107.5820	0.063	2	107.6255	0.137	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6690	0.584	2	107.6690	0.341	2	107.6255	0.137	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.2360	0.000	1	108.1730	0.237	3	108.1730	0.237	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.6250	0.000	1	108.1730	0.237	3	108.1730	0.237	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6580	0.000	1	108.1730	0.237	3	108.1730	0.237	3	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	106.1670	0.465	2	106.1670	0.216	2	107.1710	1.586	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H){2|C<2>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6700	0.000	1	107.6700	0.000	1	107.1710	1.586	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.6800	0.000	1	108.6800	0.000	1	107.1710	1.586	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.2970	0.293	2	106.2970	0.086	2	107.8513	1.083	16	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.4887	0.857	4	108.0733	0.818	14	107.8513	1.083	16	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	H(C[5]C[6a]C[5]2)	107.9071	0.911	10	108.0733	0.818	14	107.8513	1.083	16	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5]2N)	110.7973	0.139	4	110.7973	0.019	4	110.7973	0.019	4	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2N)	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2N)	109.7000	0.000	1	109.7000	0.000	1	108.7045	1.982	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NHH)(H){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2N)	107.7090	0.000	1	107.7090	0.000	1	108.7045	1.982	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CCH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2N)	109.0830	0.000	1	109.0830	0.000	1	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2N)	107.2840	0.000	1	107.2840	0.000	1	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2N)	114.0400	2.558	3	114.0400	6.545	3	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2N)	109.2325	0.491	4	108.7761	0.273	31	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)(H){4|H<1>}	H(C[5]C[5]2N)	108.7084	0.501	27	108.7761	0.273	31	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.0750	0.782	2	108.9199	0.567	11	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2N)	109.1077	0.644	9	108.9199	0.567	11	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHN)(H){4|H<1>}	H(C[5]C[5]2N)	108.6560	0.000	1	108.6560	0.000	1	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NHS)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(CSnC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2N)	115.1970	0.000	1	115.1970	0.000	1	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)2(NCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2N)	111.0530	0.896	3	111.0530	0.802	3	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)2(NCH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2N)	106.3370	0.000	1	106.3370	0.000	1	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)2(NCH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2N)	106.3700	0.000	1	106.3700	0.000	1	109.2293	3.239	54	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2N)	109.4350	0.000	1	109.4350	0.000	1	108.8194	1.057	38	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2N)	106.3590	0.000	1	106.3590	0.000	1	108.8194	1.057	38	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H){4|H<1>}	H(C[5]C[5]2N)	106.5390	0.219	2	106.5390	0.048	2	108.8194	1.057	38	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCC)(H){4|H<1>}	H(C[5]C[5]2N)	108.7325	0.337	2	108.7325	0.114	2	108.8194	1.057	38	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCH)(H){4|H<1>}	H(C[5]C[5]2N)	108.7486	0.621	26	108.7486	0.386	26	108.8194	1.057	38	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NMnC)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2N)	110.3200	0.136	2	110.3200	0.018	2	108.8194	1.057	38	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H){2|H<1>}	H(C[5]C[5]2N)	110.1748	0.379	4	110.1748	0.143	4	108.8194	1.057	38	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2N)	110.5970	0.000	1	110.5970	0.000	1	110.1425	0.413	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]2N)	109.6880	0.000	1	109.6880	0.000	1	110.1425	0.413	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CH)(C[5]N[5]CH)(N[5]C[5]2)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[5]C[5]2N[5])	107.7620	0.000	1	107.7620	0.000	1	108.7040	1.775	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.6460	0.000	1	109.6460	0.000	1	108.7040	1.775	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2N[5])	106.4220	0.000	1	106.4220	0.000	1	106.7670	0.238	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]HN)(C[5]N[5]CH)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	H(C[5]C[5]2N[5])	107.1120	0.000	1	107.1120	0.000	1	106.7670	0.238	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H){3|H<1>,4|C<3>}	H(C[5]C[5]2N[5])	107.7155	2.334	4	107.7155	5.446	4	109.0948	1.855	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	109.4860	0.000	1	109.4860	0.000	1	109.0948	1.855	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	109.7933	0.703	4	109.7933	0.494	4	109.0948	1.855	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5]2N[5])	109.6217	0.298	4	109.6217	0.089	4	109.0948	1.855	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2N[5])	109.5680	0.209	2	109.5680	0.044	2	109.0948	1.855	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]2N[5])	108.7335	0.122	2	108.7335	0.015	2	109.0948	1.855	17	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2O)	110.4680	0.000	1	110.4680	0.000	1	111.6260	2.682	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OCoC)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2O)	112.7840	0.000	1	112.7840	0.000	1	111.6260	2.682	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]2P[5])	111.1700	1.045	2	111.1700	1.092	2	111.1700	1.092	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(SCuC)(H){4|H<1>}	H(C[5]C[5]2S)	109.2520	0.349	2	109.2520	0.122	2	109.2520	0.122	2	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:1:	4:	Si[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H)	H(C[5]Si[5]C[5]2)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]Si[5]C[5]2)	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	108.6528	2.346	452	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3650	0.000	1	106.3650	0.000	1	106.5260	0.052	2	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(COO)(CN)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(COO)(CN){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6870	0.000	1	106.6870	0.000	1	106.5260	0.052	2	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH){1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]2C)	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8770	0.212	2	107.8770	0.045	2	107.8770	0.045	2	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.4475	0.235	2	106.4475	0.055	2	107.1070	1.652	8	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH){4|H<1>}	H(C[5]C[5]2C)	108.0840	0.000	1	108.0840	0.000	1	107.1070	1.652	8	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)2(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(COO)(OH){4|H<1>}	H(C[5]C[5]2C)	108.3465	0.022	2	108.3465	0.000	2	107.1070	1.652	8	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH){4|H<1>}	H(C[5]C[5]2C)	104.5640	0.000	1	104.5640	0.000	1	107.1070	1.652	8	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.3100	0.252	2	107.3100	0.063	2	107.1070	1.652	8	107.1938	1.166	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2{1|C<2>,2|C<3>}	H(C[5]C[5,5]C[5]C)	105.9090	0.000	1	106.4465	0.578	2	106.4465	0.578	2	108.3976	3.105	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	106.9840	0.000	1	106.4465	0.578	2	106.4465	0.578	2	108.3976	3.105	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]C[5])(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]C[5])(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	106.1000	0.000	1	106.1000	0.000	1	109.0395	3.097	6	108.3976	3.105	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.6274	1.131	5	109.6274	1.279	5	109.0395	3.097	6	108.3976	3.105	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	108.3976	3.105	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CCO)(NCH)	H(C[5]C[5]2N)	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CCO)(NCH){1|H<1>,1|O<2>}	H(C[5]C[5]2N)	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	108.3976	3.105	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:3:	4:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)2{2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.3976	3.105	11	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.1030	0.000	1	108.1030	0.000	1	108.1030	0.000	1	108.6916	0.242	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5]3)	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.6916	0.242	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H){2|C<3>,5|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2N[5])	109.0770	0.000	1	108.7206	0.239	7	108.7206	0.239	7	108.6916	0.242	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H){2|C<3>,5|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2N[5])	108.6612	0.507	6	108.7206	0.239	7	108.7206	0.239	7	108.6916	0.242	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]CH)(NHS)(H)	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]CH)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H){1|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]N)	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H){2|C<4>}	H(C[5]C[4,5]C[5]C)	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H)	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(COO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6,6]C[5]C)	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(NOO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H)	H(C[5]C[5,5,6,6]C[5]N)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6,6]C[5]N)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.6020	0.000	1	107.6020	0.000	1	108.3773	0.561	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	109.0970	0.000	1	109.0970	0.000	1	108.3773	0.561	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	108.4330	0.000	1	108.4330	0.000	1	108.3773	0.561	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	108.7170	0.000	1	108.7170	0.000	1	108.8852	0.485	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]C)	108.2720	0.390	2	108.2720	0.152	2	108.8852	0.485	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.9710	0.000	1	108.9710	0.000	1	108.8852	0.485	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCO)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]C)	110.4860	0.000	1	110.4860	0.000	1	108.8852	0.485	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,2|O<2>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	H(C[5]C[5,5]C[5]C)	108.8123	0.343	4	108.8123	0.118	4	108.8852	0.485	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.3550	0.000	1	108.3550	0.000	1	108.4905	0.256	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.1890	0.000	1	108.1890	0.000	1	108.4905	0.256	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.1790	0.000	1	108.1790	0.000	1	108.4905	0.256	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]C)	109.2390	0.000	1	109.2390	0.000	1	108.4905	0.256	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.8150	0.000	1	108.7260	0.016	2	108.5953	0.059	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.6370	0.000	1	108.7260	0.016	2	108.5953	0.059	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.3340	0.000	1	108.3340	0.000	1	108.5953	0.059	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]N)	108.2780	0.000	1	108.7595	0.464	2	108.7595	0.464	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]N)	109.2410	0.000	1	108.7595	0.464	2	108.7595	0.464	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	111.4040	0.000	1	111.4040	0.000	1	108.2935	3.302	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.0203	0.364	3	108.0203	0.133	3	108.2935	3.302	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	105.7840	0.000	1	105.7840	0.000	1	108.2935	3.302	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.5120	0.000	1	108.5120	0.000	1	108.2935	3.302	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]2)	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.9940	0.000	1	106.2155	0.098	2	105.8100	0.542	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.4370	0.000	1	106.2155	0.098	2	105.8100	0.542	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	104.9990	0.000	1	104.9990	0.000	1	105.8100	0.542	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|O<1>}	H(C[5]C[5]N[5]C)	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:B-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2B)	109.2050	2.005	2	109.2050	4.021	2	109.2050	4.021	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:B-3:H-1:	P[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H){2|C<3>,2|H<1>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2B)	109.2660	2.070	2	109.2660	4.287	2	109.2660	4.287	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.3307	0.463	4	107.3307	0.214	4	107.3307	0.214	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H){1|H<1>,2|C<4>,4|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2C)	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H){2|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	H(C[5]C[5]2C)	109.9500	0.000	1	109.9500	0.000	1	110.3340	0.121	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H){2|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	H(C[5]C[5]2C)	110.5260	0.146	2	110.5260	0.021	2	110.3340	0.121	3	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2C)	107.8140	0.253	3	107.8300	0.044	4	107.8300	0.044	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.8780	0.000	1	107.8300	0.044	4	107.8300	0.044	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H){2|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2C)	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2C)	109.8305	0.121	2	109.8305	0.015	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	108.0810	0.000	1	108.7467	2.897	3	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.0795	2.265	2	108.7467	2.897	3	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	106.3985	0.166	2	106.3985	0.028	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.2895	0.531	2	107.2895	0.282	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	108.2505	0.503	2	108.2505	0.253	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	108.3190	0.000	1	108.3190	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.5820	0.000	1	109.5820	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.5410	0.000	1	106.5410	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){4|H<1>}	H(C[5]C[5]2C)	107.4360	0.127	2	107.4360	0.016	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H){4|H<1>}	H(C[5]C[5]2C)	107.6900	0.000	1	107.6900	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.0140	0.000	1	108.0140	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H){4|H<1>}	H(C[5]C[5]2C)	107.5705	0.040	2	107.5705	0.002	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(C[5]C[5]2C)	109.0460	0.000	1	109.0460	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.2000	0.147	2	109.2000	0.022	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	109.3580	0.000	1	109.3580	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	H(C[5]C[5]2C)	110.0850	0.000	1	110.0850	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(C[5]C[5]2C)	108.9035	0.605	2	108.9035	0.366	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	108.3240	0.942	5	108.3240	0.888	5	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	H(C[5]C[5]2C)	108.9390	0.000	1	108.9390	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	H(C[5]C[5]2C)	109.5100	0.027	2	109.5100	0.001	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(C[5]C[5]2C)	109.2435	0.661	2	109.2435	0.437	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2C)	107.6450	0.000	1	107.7260	0.013	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<4>,3|H<1>}	H(C[5]C[5]2C)	107.8070	0.000	1	107.7260	0.013	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	110.7250	0.000	1	110.7250	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	108.2930	0.000	1	108.2930	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.2320	0.000	1	107.4930	0.136	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	107.7540	0.000	1	107.4930	0.136	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	108.5590	0.000	1	108.5590	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.7600	1.185	2	107.7600	1.404	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.4170	0.000	1	107.4170	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.8970	0.000	1	107.8970	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(C[5]C[5]2C)	107.9290	0.000	1	107.9290	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H){2|H<1>}	H(C[5]C[5]2C)	108.4920	0.233	2	108.4920	0.054	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H){2|H<1>}	H(C[5]C[5]2C)	109.4367	0.727	3	109.4367	0.528	3	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.5640	0.000	1	107.9385	0.281	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.3130	0.000	1	107.9385	0.281	2	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCO)(H)	C[5](C[5]C[5]CH)2(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.5630	0.000	1	107.5630	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H){2|C<3>}	H(C[5]C[5]2C)	108.0800	0.000	1	108.0800	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]CH)2(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.0550	0.000	1	109.0550	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2C)	109.3810	0.728	3	109.3810	0.531	3	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.7970	0.000	1	109.7970	0.000	1	108.4649	1.103	63	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O){2|H<1>,2|O<2>}	H(C[5]C[5]2C)	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.7270	0.000	1	106.6110	0.027	2	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	106.4950	0.000	1	106.6110	0.027	2	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.5400	0.081	2	107.4074	1.144	8	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.7943	1.014	3	107.4074	1.144	8	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7000	0.000	1	107.4074	1.144	8	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	106.0480	0.308	2	107.4074	1.144	8	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]2C)	107.8877	2.624	3	107.8877	6.885	3	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	90.3084	0.298	2	90.3084	0.089	2	105.1174	37.853	15	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.1600	0.000	1	108.1600	0.000	1	108.4730	0.922	7	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.2307	0.247	3	108.4595	0.250	4	108.4730	0.922	7	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.1460	0.000	1	108.4595	0.250	4	108.4730	0.922	7	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){4|H<1>}	H(C[5]C[5]2C)	110.1760	0.000	1	110.1760	0.000	1	108.4730	0.922	7	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.1370	0.000	1	107.1370	0.000	1	108.4730	0.922	7	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.5970	0.000	1	110.5970	0.000	1	109.5270	2.290	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.4570	0.000	1	108.4570	0.000	1	109.5270	2.290	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]3)	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5]3)	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]3)	108.4330	0.000	1	108.4330	0.000	1	108.4220	0.273	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]3)	108.0955	0.493	2	108.0955	0.243	2	108.4220	0.273	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5]3)	108.2770	0.008	2	108.2770	0.000	2	108.4220	0.273	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	109.3540	0.000	1	109.3540	0.000	1	108.4220	0.273	6	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5]3)	108.7880	0.052	3	108.7880	0.003	3	108.5756	1.586	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	107.0460	0.000	1	107.0460	0.000	1	108.5756	1.586	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<4>,5|H<1>}	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5]3)	108.7540	1.585	5	108.7540	2.511	5	108.5756	1.586	9	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2N)	109.6170	0.000	1	109.6170	0.000	1	109.0805	0.576	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2N)	108.5440	0.000	1	108.5440	0.000	1	109.0805	0.576	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2N)	108.5143	0.833	3	108.5143	0.695	3	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.7140	0.148	2	108.7140	0.022	2	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2N)	109.3780	0.000	1	109.3780	0.000	1	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2N)	106.3900	0.000	1	106.3900	0.000	1	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)2(NCC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2N)	115.4500	0.875	3	115.4500	0.766	3	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(NOO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)2(NOO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2N)	109.3800	0.526	2	109.3800	0.277	2	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(NOO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)2(NOO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2N)	109.3825	0.613	2	109.3825	0.376	2	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2N)	111.1980	0.000	1	111.1980	0.000	1	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2N)	110.2430	0.000	1	110.2430	0.000	1	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2N)	108.5940	0.000	1	108.5940	0.000	1	110.1558	7.540	17	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2N)	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2N[5])	107.0860	0.000	1	107.0860	0.000	1	108.5286	0.543	8	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H){2|C<3>,5|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<5>,1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]2N[5])	109.6400	0.000	1	108.7347	0.237	7	108.5286	0.543	8	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H){2|C<3>,5|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]2N[5])	108.5838	0.304	6	108.7347	0.237	7	108.5286	0.543	8	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2N[5])	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Ga<4>,3|C<4>,6|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5]2N[5])	107.8990	0.000	1	107.8990	0.000	1	107.1960	0.988	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|In<4>,3|C<4>,6|H<1>}	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5]2N[5])	106.4930	0.000	1	106.4930	0.000	1	107.1960	0.988	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:B-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2N[6])	107.5190	0.000	1	107.5190	0.000	1	107.5190	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	H(C[5]C[5]2N[6])	106.1670	0.000	1	106.1670	0.000	1	106.1670	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.7337	0.252	4	108.7337	0.063	4	108.7337	0.063	4	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){4|H<1>}	H(C[5]C[5]N[5]C)	110.8510	0.000	1	110.8510	0.000	1	110.7360	0.026	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H){4|H<1>}	H(C[5]C[5]N[5]C)	110.6210	0.000	1	110.6210	0.000	1	110.7360	0.026	2	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	P[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](P[5]C[6a]Se[5]Se)(C[5]C[5]CH)(NHN)(H)	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H)	H(C[5]C[5]P[5]N)	C[5](P[5]C[6a]Se[5]Se)(C[5]C[5]CH)(NHN)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H){1|Se<1>,3|C<3>}	H(C[5]C[5]P[5]N)	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	H(C[5]Si[5]C[5]C)	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:1:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H)	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]Si[5]C[5]C)	108.9932	2.418	5	108.9932	5.848	5	108.9932	5.848	5	108.4517	5.429	210	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H){1|H<1>,2|C<4>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]C)	108.1570	0.040	2	108.1570	0.002	2	108.1570	0.002	2	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	111.5440	1.853	4	111.5440	3.435	4	111.5440	3.435	4	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H)	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.8515	0.245	2	105.8515	0.060	2	105.8515	0.060	2	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(CCO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(CCO)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2C)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.3450	0.000	1	108.0623	0.427	3	108.0623	0.427	3	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.4210	0.286	2	108.0623	0.427	3	108.0623	0.427	3	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.2245	0.443	2	107.2245	0.197	2	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.5470	0.000	1	109.5470	0.000	1	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	106.9197	0.092	3	106.9197	0.008	3	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	106.5770	0.301	3	106.5770	0.091	3	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.1810	0.000	1	109.1810	0.000	1	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.5541	1.141	7	108.5541	1.302	7	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.4520	0.096	2	106.4520	0.009	2	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.1780	0.000	1	107.1780	0.000	1	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	H(C[5]C[5]2C)	106.7643	1.151	3	106.7643	1.325	3	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){4|H<1>}	H(C[5]C[5]2C)	108.9750	0.000	1	108.9750	0.000	1	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.2860	0.000	1	107.2860	0.000	1	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	103.3680	0.000	1	103.3680	0.000	1	107.4442	2.101	26	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-4:C-2:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(CN){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]3)	109.4337	0.790	3	108.6978	1.387	5	108.6978	1.387	5	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]3)	107.2480	0.000	1	108.6978	1.387	5	108.6978	1.387	5	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]3)	107.9400	0.000	1	108.6978	1.387	5	108.6978	1.387	5	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.8660	0.000	1	106.8660	0.000	1	106.8660	0.000	1	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH){1|H<1>,3|C<3>}	H(C[5]C[5]2N)	109.6390	0.000	1	109.6390	0.000	1	108.5273	0.989	3	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<2>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<2>}	H(C[5]C[5]2N)	108.2200	0.000	1	107.9715	0.124	2	108.5273	0.989	3	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<3>}	H(C[5]C[5]2N)	107.7230	0.000	1	107.9715	0.124	2	108.5273	0.989	3	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2C[6])	105.0795	0.530	2	105.0795	0.281	2	105.0795	0.281	2	107.8741	3.212	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]N)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]H)(C[5]C[5]HH)(NCC)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]N)(C[5]C[5]H)(H){3|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]H)(C[5]C[5]HH)(NCC){1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]2)	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCHH)(CCO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCHH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6470	0.072	2	106.6470	0.005	2	106.6470	0.005	2	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1280	0.000	1	107.1280	0.000	1	106.9895	0.038	2	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8510	0.000	1	106.8510	0.000	1	106.9895	0.038	2	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CH3)(COO)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CH3)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]2)	104.0800	0.000	1	104.0800	0.000	1	104.0800	0.000	1	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(COO){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2C)	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CCO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CCO){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7080	0.122	4	108.7080	0.015	4	108.7080	0.015	4	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(COO)	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(COO){4|H<1>}	H(C[5]C[5]2N)	108.3600	0.000	1	108.3600	0.000	1	108.3600	0.000	1	107.6109	2.773	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]CC)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]CC)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2{1|C<3>,1|O<2>}	H(C[5]C[5,5]C[5]C)	106.0560	0.000	1	106.0560	0.000	1	106.0560	0.000	1	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCH)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.4010	0.000	1	107.4010	0.000	1	107.4765	0.011	2	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCO)(H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]CH)(CH3)2{2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.5520	0.000	1	107.5520	0.000	1	107.4765	0.011	2	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.9330	0.000	1	106.9330	0.000	1	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]N)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2{4|H<1>}	H(C[5]C[5]2C)	108.2460	0.000	1	108.2460	0.000	1	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2{4|H<1>}	H(C[5]C[5]2C)	107.5960	0.000	1	107.1285	0.437	2	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2{4|H<1>}	H(C[5]C[5]2C)	106.6610	0.000	1	107.1285	0.437	2	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2{4|H<1>}	H(C[5]C[5]2C)	107.5256	0.616	12	107.5256	0.380	12	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2{4|H<1>}	H(C[5]C[5]2C)	108.6580	0.000	1	108.6580	0.000	1	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CC[6a]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.1975	0.909	2	109.1975	0.826	2	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	106.8650	0.000	1	106.8650	0.000	1	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(COO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2{1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.4110	0.933	2	107.4110	0.871	2	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.4780	0.658	2	109.4780	0.432	2	107.8100	0.911	24	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.3180	1.042	2	107.3180	1.086	2	107.3180	1.086	2	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]3)	109.5550	0.000	1	109.5120	0.004	2	108.7968	3.718	4	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]3)	109.4690	0.000	1	109.5120	0.004	2	108.7968	3.718	4	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]3)	110.2150	0.000	1	110.2150	0.000	1	108.7968	3.718	4	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]3)	105.9480	0.000	1	105.9480	0.000	1	108.7968	3.718	4	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NBC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NBC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	108.2630	0.065	2	108.2630	0.004	2	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH)	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH){4|H<1>}	H(C[5]C[5]2N)	106.9470	0.000	1	106.9470	0.000	1	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NC[5]Zn)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NC[5]Zn)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	109.0962	0.351	4	109.0962	0.123	4	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	110.8520	0.000	1	109.8926	0.316	7	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	109.8208	0.483	4	109.8926	0.316	7	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	109.5565	0.163	2	109.8926	0.316	7	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	107.5095	0.265	2	107.5095	0.070	2	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	109.5463	0.464	6	109.5463	0.215	6	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiC)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	109.5710	0.372	3	109.5710	0.138	3	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	110.1260	0.153	2	109.7630	0.298	4	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	109.4000	0.585	2	109.7630	0.298	4	109.2817	0.812	29	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:4:4:	4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2	H(C[5]Si[5]C[5]C)	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2{2|C<3>,2|C<4>}	H(C[5]Si[5]C[5]C)	105.0130	0.000	1	105.0130	0.000	1	105.0130	0.000	1	108.4516	1.747	63	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	4:4:6:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:S-6:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2C)	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	6:4:1:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	B[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H)	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H){1|C<6>,5|B<6>}	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]CH)(H)2{1|C<6>,1|N<3>,4|B<6>,5|H<1>}	H(C[5]C[5]2C)	106.4170	0.000	1	106.4170	0.000	1	106.4170	0.000	1	107.4617	0.689	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	6:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.1720	0.000	1	107.1720	0.000	1	107.8100	0.306	3	107.4617	0.689	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	6:4:1:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{2|C<3>,5|B<6>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.1290	0.027	2	108.1290	0.001	2	107.8100	0.306	3	107.4617	0.689	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	6:4:3:1:	4:	C[5]-4:C[5]-4:C-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H)	H(C[5]C[5]2C)	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H){1|C<6>,5|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H){1|C<4>,5|B<6>,5|H<1>}	H(C[5]C[5]2C)	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:3:1:	6:4:4:1:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	H(C[5]C[6a]C[5]2)	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H){1|N<3>,7|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH){6|H<1>,7|C<3>}	H(C[5]C[5]2C)	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	B[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H){1|B<3>,1|H<1>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|B<3>,2|F<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H){1|N<3>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5]2C)	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.0645	1.279	2	107.0645	1.636	2	107.4373	1.471	4	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.7560	0.000	1	106.7560	0.000	1	107.4373	1.471	4	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.8640	0.000	1	108.8640	0.000	1	107.4373	1.471	4	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	H(C[5]C[5]2C)	110.5490	0.000	1	110.5490	0.000	1	109.1425	3.956	2	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.7360	0.000	1	107.7360	0.000	1	109.1425	3.956	2	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H)	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	H(C[5]C[5]3)	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5]3)	107.7065	1.884	2	107.7065	3.551	2	106.7300	4.636	3	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	H(C[5]C[5]3)	104.7770	0.000	1	104.7770	0.000	1	106.7300	4.636	3	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5]C[5]3)	107.8540	0.000	1	108.3500	0.492	2	108.3500	0.492	2	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]3)	108.8460	0.000	1	108.3500	0.492	2	108.3500	0.492	2	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H){3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|P<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2P)	109.7135	0.084	2	109.7135	0.007	2	109.7135	0.007	2	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H){1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<2>,3|C<3>,5|H<1>}	H(C[5]C[5]2S)	108.0320	0.000	1	108.0320	0.000	1	108.0320	0.000	1	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]2S)	108.9560	0.000	1	108.9560	0.000	1	108.8423	0.031	3	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|C<3>,5|H<1>}	H(C[5]C[5]2S)	108.9300	0.000	1	108.9300	0.000	1	108.8423	0.031	3	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|H<1>,5|C<3>}	H(C[5]C[5]2S)	108.6410	0.000	1	108.6410	0.000	1	108.8423	0.031	3	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){3|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2S)	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	108.2074	2.224	21	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5]2C)	107.4090	0.000	1	107.4120	0.000	2	107.4120	0.000	2	107.4120	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	H(C[5]C[5]2C)	107.4150	0.000	1	107.4120	0.000	2	107.4120	0.000	2	107.4120	0.000	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:3:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(OAlNi)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(OAlNi){4|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	B[3,5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2	H(C[5]B[3,5]C[5]C)	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2{1|B<5>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]B[3,5]C[5]C)	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2	H(C[5]B[5]C[5]C)	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]B[5]C[5]C)	109.5710	0.473	3	109.5710	0.224	3	109.5710	0.224	3	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[3,5]C[5]C)	111.6130	0.000	1	111.6130	0.000	1	111.6130	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[3,5]-4:C[5]-4:N-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H){1|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]N)	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[4,5,5]O)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[4,5,5]O)(C[5]C[5,5]CH)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]C)	107.6980	0.000	1	107.6980	0.000	1	107.6980	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.0213	0.114	3	108.0213	0.013	3	108.1196	0.025	5	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	108.2670	0.000	2	108.2670	0.000	2	108.1196	0.025	5	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.7700	0.000	1	107.7700	0.000	1	107.8295	0.007	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.8890	0.000	1	107.8890	0.000	1	107.8295	0.007	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H)	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2{1|H<1>,1|S<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.7495	0.139	2	107.7495	0.019	2	107.7495	0.019	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]C)	105.9880	0.000	1	106.0687	5.527	4	106.9866	4.315	8	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]C)	106.0957	2.879	3	106.0687	5.527	4	106.9866	4.315	8	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	110.0840	0.000	1	108.3210	2.401	3	106.9866	4.315	8	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.7030	0.000	1	108.3210	2.401	3	106.9866	4.315	8	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.1760	0.000	1	108.3210	2.401	3	106.9866	4.315	8	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	106.6550	0.000	1	106.6550	0.000	1	106.9866	4.315	8	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.8650	0.000	1	107.8650	0.000	1	107.1047	0.932	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H){1|C<3>,1|N<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.0090	0.000	1	108.0090	0.000	1	107.1047	0.932	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CC3)(H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CC3)(H){2|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2C)	106.2725	0.121	2	106.2725	0.015	2	107.1047	0.932	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H){1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[5]C[5]2C)	108.8010	0.000	1	108.8010	0.000	1	108.2285	0.656	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{2|N<2>,3|H<1>}	H(C[5]C[5]2C)	107.6560	0.000	1	107.6560	0.000	1	108.2285	0.656	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	105.2400	0.000	1	105.2400	0.000	1	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	107.4050	0.078	2	107.4050	0.006	2	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.3590	0.021	2	108.3590	0.000	2	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.7450	0.000	1	107.7450	0.000	1	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.5238	1.672	4	108.2015	2.781	6	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.5570	0.079	2	108.2015	2.781	6	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8030	0.000	1	107.8030	0.000	1	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.9520	0.400	2	107.9520	0.160	2	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.8640	0.000	1	108.8640	0.000	1	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<3>,3|C<3>}	H(C[5]C[5]2C)	108.0590	0.000	1	108.0590	0.000	1	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.0410	0.000	1	108.0410	0.000	1	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.1930	0.511	2	108.1930	0.261	2	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.5390	0.093	2	108.5390	0.009	2	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.4200	0.000	1	108.4200	0.000	1	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	112.2505	1.097	2	112.2505	1.203	2	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)2(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.1273	0.327	4	108.1273	0.107	4	108.3202	2.129	29	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2C)	107.1490	0.000	1	107.1490	0.000	1	108.4280	0.822	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.8920	0.000	1	108.8920	0.000	1	108.4280	0.822	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>,1|O<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.4600	0.000	1	108.8355	0.282	2	108.4280	0.822	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2110	0.000	1	108.8355	0.282	2	108.4280	0.822	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H){1|C<3>,1|N<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H){2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.9680	0.000	1	107.9680	0.000	1	107.7930	0.061	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2C)	107.6180	0.000	1	107.6180	0.000	1	107.7930	0.061	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2C)	107.0290	0.000	1	107.0290	0.000	1	107.0290	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.4630	0.000	1	109.4630	0.000	1	108.7687	1.490	9	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<4>}	H(C[5]C[5]2C)	109.0920	0.000	1	109.0920	0.000	1	108.7687	1.490	9	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	107.6995	0.158	2	107.6995	0.025	2	108.7687	1.490	9	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.4635	1.112	2	110.4635	1.237	2	108.7687	1.490	9	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5]2C)	107.7080	0.000	1	107.7080	0.000	1	108.7687	1.490	9	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|F<1>}	H(C[5]C[5]2C)	107.8570	0.000	1	107.8570	0.000	1	108.7687	1.490	9	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2C)	108.4720	0.000	1	108.4720	0.000	1	108.7687	1.490	9	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]3)	110.6040	0.588	2	110.6040	0.346	2	110.6040	0.346	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]3)	108.4545	0.581	2	108.4545	0.337	2	108.1253	0.494	3	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]3)	107.4670	0.000	1	107.4670	0.000	1	108.1253	0.494	3	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C[6])	104.0040	0.000	1	104.0040	0.000	1	104.0040	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[5]C[5]2C[6])	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(NH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5,6a]HH)2(NH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.4640	0.045	2	108.4640	0.002	2	108.4640	0.002	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2N[5])	108.3180	0.000	1	108.3180	0.000	1	108.2895	0.002	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:N[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2N[5])	108.2610	0.000	1	108.2610	0.000	1	108.2895	0.002	2	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	B[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H)	C[5](B[5]C[6a]O[5])(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H){1|C<3>}	C[5](B[5]C[6a]O[5])(C[5]C[5]HP)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2P)	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H){1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2S)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{1|Br<1>,1|H<1>,3|C<3>}	H(C[5]C[5]2S)	109.0000	0.000	1	108.8235	0.062	2	108.2242	0.500	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2S)	108.6470	0.000	1	108.8235	0.062	2	108.2242	0.500	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(SN[6]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]HH)2(SN[6]OO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2S)	107.6250	0.008	2	107.6250	0.000	2	108.2242	0.500	4	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]C[5]2S)	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2S)	108.0413	0.994	3	108.0413	0.988	3	108.0413	0.988	3	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2{1|B<4>,1|H<1>,3|C<3>}	H(C[5]C[5]P[5]C)	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	108.2461	1.973	98	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.5920	0.000	1	107.5920	0.000	1	107.6261	1.739	7	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.8400	0.000	1	107.8400	0.000	1	107.6261	1.739	7	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.1700	0.501	2	108.1700	0.251	2	107.6261	1.739	7	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.4285	0.097	2	108.4285	0.009	2	107.6261	1.739	7	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	104.7540	0.000	1	104.7540	0.000	1	107.6261	1.739	7	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2C)	109.2435	0.184	4	109.2435	0.034	4	109.2435	0.034	4	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H){1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.1760	0.000	1	110.1760	0.000	1	109.0475	2.547	2	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.9190	0.000	1	107.9190	0.000	1	109.0475	2.547	2	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.8040	0.000	1	107.8040	0.000	1	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.3565	1.068	2	109.3565	1.142	2	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.3660	1.013	3	108.6593	1.397	16	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.2703	1.323	8	108.6593	1.397	16	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.6353	0.683	3	108.6593	1.397	16	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.1915	0.906	2	108.6593	1.397	16	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.2580	0.000	1	108.2580	0.000	1	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.9930	0.000	1	108.9930	0.000	1	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.9110	0.000	1	110.6170	0.374	3	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	H(C[5]C[5]2C)	110.9700	0.000	2	110.6170	0.374	3	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.7690	0.000	1	109.7690	0.000	1	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.0710	0.000	1	107.7155	0.253	2	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.3600	0.000	1	107.7155	0.253	2	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.2350	0.000	1	107.2350	0.000	1	108.8072	1.518	28	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H){1|Se<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H){1|Se<1>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5]2C)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]3)	105.2605	0.653	2	105.2605	0.426	2	105.2605	0.426	2	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	H(C[5]C[5]3)	107.7340	0.000	1	107.7340	0.000	1	108.5700	1.398	2	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	H(C[5]C[5]3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]3)	109.4060	0.000	1	109.4060	0.000	1	108.5700	1.398	2	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2P)	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2S)	109.3760	0.709	3	109.3760	0.503	3	109.3760	0.503	3	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.5190	0.619	2	109.5190	0.384	2	109.5190	0.384	2	108.6236	1.816	53	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{2|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.8780	0.378	2	106.8780	0.143	2	106.8780	0.143	2	107.4688	0.731	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	H(C[5]C[5]2P)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2P)	107.4880	0.000	1	107.4880	0.000	1	108.0595	0.653	2	107.4688	0.731	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	H(C[5]C[5]2P)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	H(C[5]C[5]2P)	108.6310	0.000	1	108.6310	0.000	1	108.0595	0.653	2	107.4688	0.731	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H){2|H<1>,2|O<1>,7|C<3>}	H(C[5]C[5,5]C[5]2)	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCP)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCP)(H){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.8570	0.000	1	107.8570	0.000	1	108.3710	0.805	5	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H){1|I<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.3330	0.287	2	109.3330	0.082	2	108.3710	0.805	5	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.6660	0.164	2	107.6660	0.027	2	108.3710	0.805	5	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	111.6030	0.000	1	111.6030	0.000	1	109.7105	7.163	2	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.8180	0.000	1	107.8180	0.000	1	109.7105	7.163	2	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.5130	0.000	1	109.5130	0.000	1	108.4975	0.910	4	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	H(C[5]C[5]2C)	107.2200	0.000	1	107.2200	0.000	1	108.4975	0.910	4	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.5030	0.000	1	108.5030	0.000	1	108.4975	0.910	4	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7540	0.000	1	108.7540	0.000	1	108.4975	0.910	4	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	107.3470	0.000	1	107.3470	0.000	1	107.6315	3.187	11	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.4970	0.000	1	107.4970	0.000	1	107.6315	3.187	11	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.3895	0.189	2	108.3895	0.036	2	107.6315	3.187	11	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	106.6130	2.044	5	106.6130	4.177	5	107.6315	3.187	11	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.0330	0.000	1	109.0330	0.000	1	107.6315	3.187	11	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.2260	0.000	1	110.2260	0.000	1	107.6315	3.187	11	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|S<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.4600	0.000	2	107.4600	0.000	2	107.4600	0.000	2	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|F<1>,2|H<1>}	H(C[5]C[5]2C)	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5]3)	107.5340	0.000	1	107.5340	0.000	1	107.8945	0.260	2	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]3)	108.2550	0.000	1	108.2550	0.000	1	107.8945	0.260	2	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H)	H(C[5]C[5]3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H)	H(C[5]C[5]3)	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H){1|N<2>,3|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]3)	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H){1|P<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2P)	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2S)	113.1100	0.000	1	112.1472	4.087	5	111.0867	3.635	9	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2S)	111.9065	2.250	4	112.1472	4.087	5	111.0867	3.635	9	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2S)	109.6040	0.000	1	109.6040	0.000	1	111.0867	3.635	9	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5]2S)	109.8500	0.000	1	109.8500	0.000	1	111.0867	3.635	9	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2S)	109.9400	0.000	1	109.9400	0.000	1	111.0867	3.635	9	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2S)	109.6500	0.000	1	109.6500	0.000	1	111.0867	3.635	9	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2Si)	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	108.8276	3.863	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.3150	0.000	1	109.3150	0.000	1	109.3150	0.000	1	108.5773	0.410	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])	H(C[5]C[5]3)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>,7|H<1>}	H(C[5]C[5]3)	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.5773	0.410	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH){1|C<2>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5]3)	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	108.5773	0.410	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H){2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]C)	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.5122	0.519	4	108.5122	0.269	4	108.5122	0.269	4	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	82.8454	0.000	1	82.8454	0.000	1	105.0617	62.370	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.4075	0.009	2	108.4075	0.000	2	105.0617	62.370	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	110.0010	0.000	1	110.0010	0.000	1	105.0617	62.370	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.0480	0.000	1	106.6960	0.094	3	105.0617	62.370	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	106.5200	0.055	2	106.6960	0.094	3	105.0617	62.370	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.5380	0.000	1	106.5380	0.000	1	105.0617	62.370	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.1650	1.325	2	107.1650	1.756	2	105.0617	62.370	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){5|C<3>,6|H<1>}	H(C[5]C[5]2C)	108.6330	0.827	2	108.6330	0.684	2	108.0177	1.478	3	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5]2C)	106.7870	0.000	1	106.7870	0.000	1	108.0177	1.478	3	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]2C)	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H){1|C<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5]2C)	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H){2|C<3>,6|H<1>}	H(C[5]C[5]2C)	107.8160	0.492	2	107.8160	0.242	2	107.8160	0.242	2	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.8485	0.043	2	108.8485	0.002	2	108.2794	2.043	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.4095	0.258	2	108.4095	0.067	2	108.2794	2.043	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	105.9390	0.139	2	105.9390	0.019	2	108.2794	2.043	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(C[5]C[5]2C)	109.9180	0.000	1	109.9180	0.000	1	108.2794	2.043	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.3990	0.000	1	107.3990	0.000	1	108.2794	2.043	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.4560	0.000	1	109.4560	0.000	1	108.2794	2.043	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.6270	0.000	1	109.6270	0.000	1	108.2794	2.043	10	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2C)	109.2200	0.000	1	109.2200	0.000	1	109.1390	0.013	2	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	109.0580	0.000	1	109.0580	0.000	1	109.1390	0.013	2	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5]3)	106.5490	0.000	1	106.5490	0.000	1	106.5490	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[5]3)	107.7410	0.000	1	107.7410	0.000	1	108.0867	0.937	3	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){5|C<3>,6|H<1>}	H(C[5]C[5]3)	108.2595	1.302	2	108.2595	1.695	2	108.0867	0.937	3	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]3)	107.8030	0.000	1	107.8630	0.034	3	107.8630	0.034	3	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]3)	107.8930	0.249	2	107.8630	0.034	3	107.8630	0.034	3	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]3)	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H)	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2P)	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2S)	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2S)	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2S)	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5]2Si)	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	107.7742	14.230	50	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H){1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN){1|C<3>,1|S<2>,3|H<1>}	H(C[5]C[5]2C)	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	107.6304	2.865	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	107.6304	2.865	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	107.6304	2.865	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	H(C[5]C[5]3)	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	107.6304	2.865	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5]2C[6])	105.0860	0.000	1	105.0860	0.000	1	105.0860	0.000	1	107.6304	2.865	5	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2C)	104.8480	0.171	2	104.8480	0.029	2	104.8480	0.029	2	104.8480	0.029	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	87.8883	0.000	1	87.8883	0.000	1	102.3493	93.059	4	104.3029	65.563	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN)	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.6880	0.000	1	106.6880	0.000	1	102.3493	93.059	4	104.3029	65.563	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2{2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.4105	0.008	2	107.4105	0.000	2	102.3493	93.059	4	104.3029	65.563	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	104.3029	65.563	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){2|C<3>,6|H<1>}	H(C[5]C[5]2C)	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	104.3029	65.563	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H)	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2{1|Cl<1>,1|N<3>,2|C<3>}	H(C[5]C[4,5]C[5]C)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H)	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5,6]C[5]2)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]2)	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]C)	108.2900	0.007	2	108.2900	0.000	2	108.8167	1.910	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]C)	110.4380	0.000	1	110.4380	0.000	1	108.8167	1.910	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	110.6550	0.000	1	110.6550	0.000	1	108.8167	1.910	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.3980	0.000	1	107.3980	0.000	1	108.8167	1.910	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5]C[5]C)	107.8290	0.000	1	107.8290	0.000	1	108.8167	1.910	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:P-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	H(C[5]C[5,5]C[5]P)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2Rh)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]P)	109.8785	0.076	2	109.8785	0.006	2	109.8785	0.006	2	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]Si)	107.7500	0.000	1	107.7500	0.000	1	107.9620	0.014	5	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]Si)	108.0150	0.009	4	108.0150	0.000	4	107.9620	0.014	5	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|Cr<9>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.4740	0.414	2	108.4740	0.172	2	109.0613	4.032	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.9390	0.000	1	107.9390	0.000	1	109.0613	4.032	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	113.1040	0.000	1	110.7935	10.677	2	109.0613	4.032	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.4830	0.000	1	110.7935	10.677	2	109.0613	4.032	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]C)	107.8940	0.000	1	107.8940	0.000	1	109.0613	4.032	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.9530	0.366	2	108.9530	0.134	2	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	110.2900	0.000	1	110.2900	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.0735	0.231	4	109.0735	0.054	4	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.3020	0.000	1	109.6230	0.206	2	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.9440	0.000	1	109.6230	0.206	2	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.1160	0.000	1	108.1160	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.6140	1.150	2	106.6140	1.322	2	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.2160	0.417	3	108.2160	0.174	3	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.8720	0.000	1	109.4082	2.266	6	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.9760	1.312	4	109.4082	2.266	6	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	111.6730	0.000	1	109.4082	2.266	6	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.4285	1.556	2	107.9630	2.068	3	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	109.0320	0.000	1	107.9630	2.068	3	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.8130	0.000	1	109.8130	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	110.5280	0.000	1	110.5280	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	107.5568	0.347	4	107.5568	0.120	4	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	110.1580	0.000	1	110.1580	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	109.0760	0.000	1	109.0760	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.2470	0.475	2	109.2470	0.226	2	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.1783	0.952	3	109.1783	0.906	3	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]2C)	109.3720	0.000	1	109.3720	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.7990	0.000	1	108.7990	0.000	1	108.8223	1.384	39	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H){2|C<4>}	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2C)	107.5000	0.000	1	107.5000	0.000	1	107.5028	0.148	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	108.0180	0.000	1	108.0180	0.000	1	107.5028	0.148	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8980	0.000	1	107.8980	0.000	1	107.5028	0.148	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H){2|C<3>}	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.3690	0.000	1	107.3690	0.000	1	107.5028	0.148	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2C)	107.1160	0.000	2	107.1160	0.000	2	107.5028	0.148	6	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	109.1510	0.000	1	109.2355	0.014	2	107.7059	1.848	7	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	109.3200	0.000	1	109.2355	0.014	2	107.7059	1.848	7	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2	H(C[5]C[5]3)	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]3)	107.0940	1.064	5	107.0940	1.131	5	107.7059	1.848	7	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H)	C[5](C[5]C[5]HP)(O[5]C[5])(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H){1|O<1>}	C[5](C[5]C[5]HP)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2P)	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H)	C[5](C[5]C[5]HS)(O[5]N[5])(H)2	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]HS)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2S)	109.9290	0.000	1	109.9290	0.000	1	109.8045	0.031	2	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(O[5]N[5])(H)2	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]HS)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2S)	109.6800	0.000	1	109.6800	0.000	1	109.8045	0.031	2	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2{1|B<4>,1|C<4>,1|N<4>,1|O<2>}	H(C[5]N[5,5]C[5]C)	106.9950	0.000	1	106.9950	0.000	1	108.5697	1.860	3	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]C)	109.3570	0.000	2	109.3570	0.000	2	108.5697	1.860	3	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	108.6599	1.556	81	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H){3|H<1>}	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]C[5]C)	110.0700	0.000	1	110.0700	0.000	1	109.8545	0.093	2	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H){3|H<1>}	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]C[5]C)	109.6390	0.000	1	109.6390	0.000	1	109.8545	0.093	2	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.1656	1.079	5	106.1656	1.164	5	106.3592	1.156	6	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.3270	0.000	1	107.3270	0.000	1	106.3592	1.156	6	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]2)	108.3960	0.710	2	108.3960	0.504	2	108.3960	0.504	2	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]C)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.8460	0.000	1	108.8460	0.000	1	108.4553	1.807	13	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	106.3255	0.428	2	106.3255	0.183	2	108.4553	1.807	13	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.5027	0.237	3	109.5027	0.056	3	108.4553	1.807	13	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.1277	1.232	3	108.1277	1.519	3	108.4553	1.807	13	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.6870	0.000	1	109.6870	0.000	1	108.4553	1.807	13	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H){4|H<1>}	H(C[5]C[5]2C)	110.2230	0.000	1	110.2230	0.000	1	108.4553	1.807	13	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.8105	0.200	2	107.8105	0.040	2	108.4553	1.807	13	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]3)	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H)	C[5](C[5]C[5]2H)(O[5]C[5])2(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5])2(H){1|C<4>,2|C<3>,7|H<1>}	H(C[5]C[5]3)	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	H(C[5]C[5]2Se)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2Se)	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	108.1887	2.217	28	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:2:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H)	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H){4|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3){4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	108.9792	1.644	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	108.9792	1.644	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5])(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H){1|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5])(COO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	108.9792	1.644	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.2760	1.199	3	109.2760	1.437	3	109.1392	2.334	6	108.9792	1.644	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.1720	0.000	1	108.1720	0.000	1	109.1392	2.334	6	108.9792	1.644	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	111.3730	0.000	1	111.3730	0.000	1	109.1392	2.334	6	108.9792	1.644	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.4620	0.000	1	107.4620	0.000	1	109.1392	2.334	6	108.9792	1.644	9	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.4100	0.000	1	107.4100	0.000	1	108.0028	0.255	5	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.3030	0.389	3	108.3030	0.152	3	108.0028	0.255	5	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H){1|O<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.6950	0.000	1	107.6950	0.000	1	108.0028	0.255	5	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]C)	108.2310	0.000	1	108.2310	0.000	1	107.9200	2.836	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]C)	109.4270	0.000	1	109.4270	0.000	1	107.9200	2.836	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	106.1020	0.000	1	106.1020	0.000	1	107.9200	2.836	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]C[6])	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NCuCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]N)	109.3700	0.000	1	109.3700	0.000	1	110.0233	0.355	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NOsCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]N)	110.5380	0.000	1	110.5380	0.000	1	110.0233	0.355	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,5]-4:C[5]-4:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NRuCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]N)	110.1620	0.000	1	110.1620	0.000	1	110.0233	0.355	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]Si)	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	109.4030	0.000	1	109.4030	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.1220	0.000	1	110.1960	2.307	2	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	111.2700	0.000	1	110.1960	2.307	2	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.0110	0.000	1	108.0110	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.9920	0.000	1	109.9920	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.7510	0.823	2	108.7510	0.677	2	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.6790	0.000	1	107.6790	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.3460	0.000	1	108.3460	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	106.4800	0.491	7	106.4800	0.241	7	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	109.2970	0.000	1	109.2970	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.6430	0.000	1	107.6430	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	110.0970	0.000	1	110.0970	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.7520	0.000	1	107.7520	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.9140	0.000	1	106.9140	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	110.8360	0.000	1	110.8360	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|S<4>,3|H<1>}	H(C[5]C[5]2C)	110.1310	0.000	1	110.1310	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.6240	0.000	1	107.6240	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]2C)	106.2810	0.000	1	106.2810	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<4>,1|O<1>}	H(C[5]C[5]2C)	109.9520	0.000	1	109.9520	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.6940	1.390	2	108.6095	1.076	4	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.5250	1.126	2	108.6095	1.076	4	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.7310	0.000	1	109.7310	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(C[5]C[5]2C)	107.2070	0.000	1	107.2070	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.8290	0.000	1	107.8290	0.000	1	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H){1|H<1>}	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6370	0.061	2	108.6370	0.004	2	108.2769	2.088	35	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	107.2480	0.000	1	107.6245	0.284	2	108.5447	2.682	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	108.0010	0.000	1	107.6245	0.284	2	108.5447	2.682	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H)	H(C[5]C[5]3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	110.3850	0.000	1	110.3850	0.000	1	108.5447	2.682	3	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2N)	110.2415	0.095	2	110.2415	0.009	2	110.2415	0.009	2	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:O[5]-2:B-4:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H)	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H)	H(C[5]C[5]2P)	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H){1|C<3>}	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2P)	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H){2|C<3>}	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2Si)	107.8340	0.222	2	107.8340	0.049	2	107.8340	0.049	2	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2C[6])	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	108.3404	1.985	57	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H){1|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	108.0139	0.195	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.2327	0.079	3	108.2327	0.006	3	108.0534	0.190	12	108.0139	0.195	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.5200	0.000	1	108.5200	0.000	1	108.0534	0.190	12	108.0139	0.195	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.6590	0.166	3	107.6590	0.027	3	108.0534	0.190	12	108.0139	0.195	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.0892	0.557	5	108.0892	0.310	5	108.0534	0.190	12	108.0139	0.195	13	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:N-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H){1|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	107.7265	0.109	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.7265	0.109	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]C)	107.8280	0.000	1	107.8280	0.000	1	106.6871	0.290	15	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]C)	106.4785	0.537	6	106.4522	0.241	8	106.6871	0.290	15	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]C)	106.3735	0.479	2	106.4522	0.241	8	106.6871	0.290	15	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]C)	106.9280	0.175	5	106.9280	0.031	5	106.6871	0.290	15	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]C)	106.2210	0.000	1	106.2210	0.000	1	106.6871	0.290	15	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]2)	105.3830	0.000	1	105.3830	0.000	1	105.3830	0.000	1	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	106.8080	0.000	1	106.8080	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2C)	106.4230	0.000	1	106.4230	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	H(C[5]C[5]2C)	106.3315	0.030	2	106.3315	0.001	2	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	107.9980	0.000	2	107.2389	0.321	7	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	106.9352	0.279	5	107.2389	0.321	7	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.3930	0.000	1	108.3930	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.6527	0.742	3	107.6527	0.551	3	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	106.5750	0.000	1	106.5750	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.4940	0.000	1	107.4940	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	109.0850	0.000	1	109.0850	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	105.2310	0.000	1	105.2310	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.2340	0.000	1	107.2340	0.000	1	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	104.9940	0.490	3	104.9940	0.240	3	106.8921	1.280	23	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]3)	106.5480	0.000	1	105.1467	3.875	3	105.1467	3.875	3	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]3)	104.4460	2.192	2	105.1467	3.875	3	105.1467	3.875	3	106.6583	1.212	42	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]C)	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[3]C[5]2)	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]C)	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5,6,6]C[5]C)	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:Br-1:Br-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(Br)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(Br)2{2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]C)	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	107.7740	0.000	2	107.7740	0.000	2	107.7740	0.000	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]C)	110.5880	0.000	1	110.5880	0.000	1	108.8028	2.303	9	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(H)2{2|C<3>}	H(C[5]C[5,5]C[5]C)	107.4805	0.036	2	107.4805	0.001	2	108.8028	2.303	9	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]C)	106.0920	0.000	1	106.0920	0.000	1	108.8028	2.303	9	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	109.5680	0.000	1	109.5680	0.000	1	108.8028	2.303	9	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	109.5040	0.782	4	109.5040	0.612	4	108.8028	2.303	9	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.6640	0.000	1	107.7580	0.018	2	108.1354	1.272	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.8520	0.000	1	107.7580	0.018	2	108.1354	1.272	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.7550	0.000	1	109.7550	0.000	1	108.1354	1.272	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H){1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.7570	0.000	1	106.7570	0.000	1	108.1354	1.272	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]C)	108.6490	0.000	1	108.6490	0.000	1	108.1354	1.272	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2{1|Fe<10>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]2)	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6,6]C[5]C)	105.7010	0.000	1	105.7010	0.000	1	107.7368	8.184	4	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>}	H(C[5]C[5,6,6]C[5]C)	104.9220	0.000	1	104.9220	0.000	1	107.7368	8.184	4	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]C)	110.1620	0.849	2	110.1620	0.720	2	107.7368	8.184	4	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[3]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H){1|N<4>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[3]C[5])	91.2420	0.000	1	91.2420	0.000	1	91.2420	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[4]C[5])	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.0470	0.000	1	107.0470	0.000	1	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.4200	0.000	1	107.4743	0.175	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.5170	0.000	1	107.4743	0.175	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.2850	0.000	1	107.4743	0.175	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.2080	0.017	3	107.4743	0.175	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]C)	107.0450	0.000	1	107.5867	2.866	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]C)	106.5960	0.000	1	107.5867	2.866	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.9540	0.649	3	107.5867	2.866	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]C)	105.0170	0.000	1	107.5867	2.866	6	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.4790	0.000	1	107.4790	0.000	1	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.6510	0.000	1	106.6510	0.000	1	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.8900	0.000	1	107.8900	0.000	1	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.7990	0.000	1	107.7990	0.000	1	107.4842	1.026	17	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{1|Cr<9>,2|C<4>}	H(C[5]C[5,6]C[5]C)	101.5630	0.000	1	101.5630	0.000	1	107.9078	12.792	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.7210	0.000	1	108.7210	0.000	1	107.9078	12.792	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.8140	0.000	1	109.8140	0.000	1	107.9078	12.792	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	109.8670	0.000	1	109.8670	0.000	1	107.9078	12.792	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.5740	0.000	1	109.5740	0.000	1	107.9078	12.792	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]S)	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8640	0.000	1	107.8640	0.000	1	105.7945	8.566	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2	H(C[5]C[5]2C)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2{1|N<3>,2|H<1>}	H(C[5]C[5]2C)	103.7250	0.000	1	103.7250	0.000	1	105.7945	8.566	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.1847	0.845	3	109.1847	0.713	3	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2C)	105.7420	0.040	2	105.7420	0.002	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2C)	108.3870	0.000	1	108.3870	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2C)	104.9080	0.000	1	104.9080	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	110.5390	0.000	1	110.5390	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2C)	107.0340	0.000	1	106.9360	0.019	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|C<4>}	H(C[5]C[5]2C)	106.8380	0.000	1	106.9360	0.019	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2C)	105.7350	0.431	2	106.5933	1.069	4	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2C)	107.4515	0.272	2	106.5933	1.069	4	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<2>}	H(C[5]C[5]2C)	106.8905	0.395	2	106.8905	0.156	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.0370	0.000	1	106.0370	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2C)	105.1970	0.000	1	105.1970	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	113.2530	0.000	1	113.2530	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	109.3730	0.000	1	109.3730	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	108.7757	0.213	3	108.7757	0.045	3	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	114.6310	0.000	1	114.6310	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2C)	106.2040	0.000	1	106.2040	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.1410	0.000	1	107.1410	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.2585	1.298	2	107.2585	1.684	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H){2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.4680	0.000	2	107.4680	0.000	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2C)	111.2780	0.000	1	111.2780	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2C)	109.7530	0.000	1	109.7530	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.1470	0.031	2	108.1470	0.001	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.8670	0.000	1	108.8670	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.2780	0.000	1	109.2780	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2C)	107.0505	1.887	4	107.0505	3.562	4	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2C)	105.0277	0.562	3	105.0277	0.315	3	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	106.9200	0.000	1	106.9200	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	107.4600	0.000	1	109.1280	5.564	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.7960	0.000	1	109.1280	5.564	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2C)	110.3640	0.000	1	110.3640	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2C)	109.0900	0.000	1	109.0900	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCN)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.2520	1.147	2	108.2520	1.315	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.1660	0.000	1	109.1660	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]2C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2C)	107.6320	0.607	2	107.6320	0.368	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]CC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2C)	104.5170	0.000	1	104.5170	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CH3)(H){2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.8755	0.012	2	109.8755	0.000	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CHHN)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.5390	0.014	2	109.5390	0.000	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CPbHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CPbHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]2C)	110.6005	0.022	2	110.6005	0.000	2	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.9170	0.000	1	109.9170	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.8450	0.000	1	109.8450	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	110.1630	0.000	1	110.1630	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.2110	0.000	1	108.2110	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.6577	2.108	3	107.6577	4.445	3	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.0730	0.000	1	110.0730	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.5260	0.000	1	109.5260	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.1670	0.000	1	107.1670	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2C)	110.0280	0.000	1	110.0280	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.2430	0.000	1	108.2430	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.8030	0.000	1	109.8030	0.000	1	108.2100	4.022	73	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2C)	103.5910	0.000	1	103.5910	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.6070	0.000	1	108.6070	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.3990	0.247	2	108.3990	0.061	2	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.9030	0.286	2	109.0803	0.556	6	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.2040	1.138	3	109.0803	0.556	6	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.0640	0.000	1	109.0803	0.556	6	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.3830	0.000	1	107.4955	0.025	2	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.6080	0.000	1	107.4955	0.025	2	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.4170	0.000	1	108.4170	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.6270	0.000	1	107.6270	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.3380	0.000	1	109.3380	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H){3|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	109.4760	0.000	1	109.4760	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2C)	109.1470	0.000	1	109.1470	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|Cl<1>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.0150	0.431	2	108.0150	0.186	2	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.2110	0.008	2	108.2110	0.000	2	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.9090	0.000	1	108.9090	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.9320	0.000	1	108.9320	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.5030	0.000	1	108.5030	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	109.2910	0.000	1	109.2910	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.8140	0.000	1	108.8140	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.7463	0.727	3	109.7463	0.528	3	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.1300	0.000	1	109.1300	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	110.2130	0.000	1	110.2130	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	108.7090	0.542	2	110.4787	9.542	3	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	114.0180	0.000	1	110.4787	9.542	3	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2C)	108.6720	0.000	1	108.6720	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2C)	109.6010	0.091	2	109.6010	0.008	2	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.6670	0.000	1	109.6670	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H){2|C<3>}	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.4640	0.000	1	109.4640	0.000	1	108.8820	1.966	39	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	106.9875	0.962	2	106.9875	0.926	2	107.5994	1.026	7	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	106.9780	0.972	2	106.9780	0.944	2	107.5994	1.026	7	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5]3)	107.9780	0.000	1	107.9780	0.000	1	107.5994	1.026	7	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]O[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|O<2>}	H(C[5]C[5]3)	109.1130	0.000	1	109.1130	0.000	1	107.5994	1.026	7	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]3)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]3)	108.1740	0.000	1	108.1740	0.000	1	107.5994	1.026	7	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]3)	109.0460	1.051	2	109.0460	1.104	2	108.7373	0.838	3	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	H(C[5]C[5]3)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]3)	108.1200	0.000	1	108.1200	0.000	1	108.7373	0.838	3	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	108.8668	0.399	5	108.8668	0.159	5	108.8668	0.159	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2C[6])	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2N)	110.2515	0.101	2	110.2515	0.010	2	110.2515	0.010	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2N)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(PO3)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2P)	109.9380	0.000	1	109.9380	0.000	1	109.7447	0.043	3	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H)	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(PC[6a]3)(H){1|O<1>}	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2P)	109.5250	0.000	1	109.5250	0.000	1	109.7447	0.043	3	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H)	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2P)	109.7710	0.000	1	109.7710	0.000	1	109.7447	0.043	3	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H)	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2P)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2S)	113.3928	0.962	5	113.3928	0.926	5	113.3928	0.926	5	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2S)	109.1220	0.000	1	109.1220	0.000	1	109.0665	0.006	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2S)	109.0110	0.000	1	109.0110	0.000	1	109.0665	0.006	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]2Si)	107.5230	0.000	1	108.6140	2.381	2	108.6140	2.381	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2Si)	109.7050	0.000	1	108.6140	2.381	2	108.6140	2.381	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2Si)	107.9755	0.230	2	107.9755	0.053	2	107.7313	0.205	3	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2Si)	107.2430	0.000	1	107.2430	0.000	1	107.7313	0.205	3	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H)	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2{1|C<3>,2|O<1>}	H(C[5]C[5]S[5]C)	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2C[6])	111.0500	0.502	2	111.0500	0.252	2	111.0500	0.252	2	108.4106	5.325	205	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H){2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.1725	0.487	2	108.1725	0.237	2	108.5557	0.559	3	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	109.3220	0.000	1	109.3220	0.000	1	108.5557	0.559	3	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]2)	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	104.6830	0.000	1	104.6830	0.000	1	104.6830	0.000	1	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5]2C)	105.3280	0.000	1	105.3280	0.000	1	107.0535	1.487	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2C)	106.8040	0.000	1	106.8040	0.000	1	107.0535	1.487	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){3|H<1>}	H(C[5]C[5]2C)	107.1200	0.000	1	107.1200	0.000	1	107.0535	1.487	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.0180	0.684	2	107.0180	0.469	2	107.0535	1.487	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.0330	0.000	1	109.0330	0.000	1	107.0535	1.487	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2C)	108.4730	0.000	1	108.5983	0.197	3	108.9348	0.408	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	109.0910	0.000	1	108.5983	0.197	3	108.9348	0.408	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5]2C)	108.2310	0.000	1	108.5983	0.197	3	108.9348	0.408	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.9585	0.617	2	108.9585	0.381	2	108.9348	0.408	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5]2C)	109.8970	0.000	1	109.8970	0.000	1	108.9348	0.408	6	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	104.2230	0.000	1	104.2230	0.000	1	104.2230	0.000	1	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]3)	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2Si)	105.8730	0.000	1	105.8730	0.000	1	105.8730	0.000	1	107.6757	2.545	22	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6])	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5]3)	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	106.5780	0.000	1	103.8085	17.984	3	103.8085	17.984	3	103.8085	17.984	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:2:4:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	102.4237	4.946	2	103.8085	17.984	3	103.8085	17.984	3	103.8085	17.984	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[4,5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H)	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H)	H(C[5]C[4,5]C[5]S)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]S)	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H){1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5,5]C[5]C)	106.4300	0.000	1	106.4300	0.000	1	106.4300	0.000	1	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H){2|H<1>,2|N<3>,4|C<4>}	H(C[5]C[5,5]C[5]2)	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]2)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.0430	0.000	1	106.0430	0.000	1	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5a]O)(H){3|H<1>}	H(C[5]C[5]2C)	109.4010	0.000	1	109.4010	0.000	1	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H){3|H<1>}	H(C[5]C[5]2C)	108.3925	0.332	2	108.3925	0.110	2	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.4190	0.000	1	108.4190	0.000	1	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){2|C<4>}	H(C[5]C[5]2C)	107.9820	0.000	2	107.9820	0.000	2	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){2|C<4>}	H(C[5]C[5]2C)	108.4310	0.000	1	108.4310	0.000	1	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.1970	0.000	1	108.6370	0.387	2	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.0770	0.000	1	108.6370	0.387	2	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]O)(H){2|H<1>}	H(C[5]C[5]2C)	108.8240	0.000	1	108.8240	0.000	1	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(H){2|H<1>}	H(C[5]C[5]2C)	109.7570	0.000	1	109.7570	0.000	1	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	107.7030	0.000	1	107.7030	0.000	1	108.3539	0.833	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.0780	0.000	1	107.0780	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.4810	0.000	1	107.4810	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.4480	1.346	3	106.4480	1.813	3	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	106.8400	0.000	1	106.8400	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	108.0850	0.000	1	108.0850	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	110.3820	0.000	1	110.3820	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2C)	108.3840	0.000	1	108.3840	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2C)	108.8210	0.000	1	108.8210	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2C)	109.2460	0.000	1	109.2460	0.000	1	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H)	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H){1|H<1>}	C[5](C[5]C[5]CH)(N[5]O[5]H)(CNO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.6350	0.086	2	108.6350	0.007	2	107.9178	1.841	13	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H)	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2P)	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H){1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5]2P)	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2S)	109.8470	0.000	1	109.8470	0.000	1	109.9890	0.040	2	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2S)	110.1310	0.000	1	110.1310	0.000	1	109.9890	0.040	2	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5]2Si)	109.6890	0.000	2	109.6890	0.000	2	109.6890	0.000	2	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2Si)	104.7670	0.313	2	104.7670	0.098	2	104.7670	0.098	2	108.0972	2.092	39	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.3420	0.000	1	109.3420	0.000	1	108.5055	1.399	2	108.5055	1.399	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.6690	0.000	1	107.6690	0.000	1	108.5055	1.399	2	108.5055	1.399	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	105.3770	0.000	1	105.3770	0.000	1	105.3770	0.000	1	105.3770	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:3:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)2(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.1070	0.000	1	106.1070	0.000	1	106.1070	0.000	1	106.1070	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]C)	109.3975	1.825	2	109.3975	3.331	2	109.3975	3.331	2	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	105.6520	0.000	1	106.7255	2.305	2	106.7255	2.305	2	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	107.7990	0.000	1	106.7255	2.305	2	106.7255	2.305	2	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]C)	107.4465	0.554	2	107.4465	0.307	2	108.1628	0.790	4	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]C)	108.8040	0.000	1	108.8040	0.000	1	108.1628	0.790	4	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.9540	0.000	1	108.9540	0.000	1	108.1628	0.790	4	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(C[5]C[5]2C)	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5]2C)	108.4887	0.579	4	108.4887	0.336	4	108.4673	0.861	6	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.7080	0.000	1	109.7080	0.000	1	108.4673	0.861	6	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.1410	0.000	1	107.1410	0.000	1	108.4673	0.861	6	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5]2C)	109.3310	0.000	1	109.3310	0.000	1	109.3310	0.000	1	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CBrHH)(Br)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CBrHH)(Br){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.3623	0.298	6	108.3623	0.089	6	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.3255	0.047	2	107.3255	0.002	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.1140	0.000	1	108.1140	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.9096	0.814	15	107.9096	0.663	15	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.8350	0.000	1	108.8350	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.0500	0.000	1	110.0500	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	109.0620	0.000	1	109.0620	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	H(C[5]C[5]2C)	108.1630	0.177	2	108.1630	0.031	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	107.1085	3.178	2	107.1085	10.103	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H){4|H<1>}	H(C[5]C[5]2C)	107.1120	0.000	1	107.1120	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H){4|H<1>}	H(C[5]C[5]2C)	108.0180	0.000	1	108.0180	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	H(C[5]C[5]2C)	107.7895	0.989	2	107.7895	0.979	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){4|H<1>}	H(C[5]C[5]2C)	110.7078	0.087	4	110.7078	0.008	4	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	109.1510	1.962	2	109.1510	3.848	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.7930	0.000	1	106.7930	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	110.2970	0.000	1	110.2970	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	105.8250	0.000	1	105.8250	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.5170	0.000	1	109.5170	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|C<4>}	H(C[5]C[5]2C)	107.0110	0.071	2	107.0110	0.005	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H){2|C<4>}	H(C[5]C[5]2C)	106.7765	0.507	2	106.7765	0.257	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|C<4>}	H(C[5]C[5]2C)	107.1230	0.000	1	107.1230	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	110.3690	0.000	1	109.4563	1.579	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.0000	1.382	2	109.4563	1.579	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	111.2690	0.000	1	111.2690	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.9760	0.028	2	109.9760	0.001	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.8130	0.812	2	108.8130	0.659	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.6690	0.000	1	107.6690	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.2780	0.000	1	108.2780	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	106.4698	0.538	6	106.4698	0.290	6	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){2|H<1>}	H(C[5]C[5]2C)	109.0610	0.233	4	109.0610	0.054	4	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|H<1>}	H(C[5]C[5]2C)	108.1160	0.000	1	108.1160	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|H<1>}	H(C[5]C[5]2C)	108.7460	0.000	1	108.7460	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	H(C[5]C[5]2C)	107.7087	0.331	3	107.7087	0.110	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H){2|H<1>}	H(C[5]C[5]2C)	107.4515	1.544	2	107.4515	2.383	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){2|H<1>}	H(C[5]C[5]2C)	110.5150	0.000	1	110.5150	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2C)	106.3440	0.387	2	106.3440	0.150	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2C)	109.5100	0.303	3	109.5100	0.092	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	111.2540	0.000	1	111.2540	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CClHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CClHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2C)	110.4760	0.023	2	110.4760	0.001	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CClHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CClHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H){1|H<1>,2|C<4>}	H(C[5]C[5]2C)	110.4655	0.081	2	110.4655	0.007	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.2445	1.514	2	109.2445	2.292	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.2145	0.104	2	108.3887	0.096	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.7370	0.000	1	108.3887	0.096	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.3617	2.289	3	109.0082	1.914	13	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.9139	0.391	8	109.0082	1.914	13	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.7950	0.000	1	109.0082	1.914	13	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	106.9150	0.000	1	109.0082	1.914	13	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.0990	0.000	1	108.0990	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.3540	0.000	1	108.3540	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.2000	0.000	1	108.9863	1.106	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.3795	0.049	2	108.9863	1.106	3	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.5730	0.000	1	108.5730	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.7970	0.000	1	109.7970	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.9985	0.592	2	108.9985	0.350	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){1|O<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	H(C[5]C[5]2C)	107.3570	0.000	1	107.3570	0.000	1	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.2000	0.799	2	109.2000	0.638	2	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.4434	0.703	5	109.4434	0.495	5	108.5410	1.876	123	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)(H){4|H<1>}	H(C[5]C[5]2C)	107.7620	0.000	1	107.7620	0.000	1	108.7018	0.342	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.0400	0.000	1	109.0400	0.000	1	108.7018	0.342	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.7710	0.000	1	108.7710	0.000	1	108.7018	0.342	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.3040	0.000	1	109.3040	0.000	1	108.7018	0.342	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.6320	0.000	1	108.6320	0.000	1	108.7018	0.342	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.2365	0.237	2	109.2365	0.056	2	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	110.2080	0.000	1	110.2080	0.000	1	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	109.7280	0.000	1	109.7280	0.000	1	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.0600	0.000	1	108.0600	0.000	1	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.7735	1.303	2	107.2107	1.423	3	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.0850	0.000	1	107.2107	1.423	3	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.9000	0.000	1	109.9000	0.000	1	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H){2|C<3>}	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.5300	0.000	1	109.5300	0.000	1	108.7531	1.775	10	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.6005	2.631	2	108.6005	6.923	2	108.6005	6.923	2	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	107.3270	0.000	1	107.3270	0.000	1	108.2072	0.502	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]3)	107.8740	0.000	1	107.8740	0.000	1	108.2072	0.502	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]3)	108.6117	0.563	3	108.6117	0.317	3	108.2072	0.502	5	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[5]3)	105.3090	0.754	2	105.3090	0.568	2	105.3090	0.568	2	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2Si)	109.6720	0.000	2	109.6720	0.000	2	109.6720	0.000	2	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H)	H(C[5]C[5]2Si)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2Si)	106.5715	1.537	2	106.5715	2.361	2	106.5715	2.361	2	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2Si)	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2Si)	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	108.4911	1.882	171	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN){4|H<1>}	H(C[5]C[5]2C)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.0650	0.304	3	107.0650	0.092	3	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|H<1>,3|C<4>}	H(C[5]C[5]2C)	105.9140	0.000	1	105.9140	0.000	1	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.9300	0.389	2	107.9300	0.151	2	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){2|C<4>}	H(C[5]C[5]2C)	106.8170	0.000	1	106.8170	0.000	1	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi){2|C<4>}	H(C[5]C[5]2C)	106.6260	0.000	1	106.6260	0.000	1	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH){2|C<4>}	H(C[5]C[5]2C)	107.9380	0.219	2	107.9380	0.048	2	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	104.4745	3.200	2	104.4745	10.238	2	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.0950	0.000	1	108.0950	0.000	1	106.8717	2.435	13	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]3)	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	106.9819	2.185	15	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	H(C[5]C[5]2C)	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	106.2790	0.000	1	106.2790	0.000	1	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.1360	0.000	1	108.1360	0.000	1	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.2960	0.000	1	106.5890	0.172	2	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	H(C[5]C[5]2C)	106.8820	0.000	1	106.5890	0.172	2	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	105.3890	0.000	1	105.3890	0.000	1	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	H(C[5]C[5]2C)	107.0910	0.000	1	107.0910	0.000	1	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	H(C[5]C[5]2C)	107.5100	0.000	1	107.5100	0.000	1	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	H(C[5]C[5]2C)	106.8960	0.000	1	106.8960	0.000	1	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	H(C[5]C[5]2C)	107.3990	0.233	2	107.3990	0.054	2	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|S<4>,2|H<1>}	H(C[5]C[5]2C)	103.7340	0.000	1	103.7340	0.000	1	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.6950	0.161	2	107.6950	0.026	2	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<5>,1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.8840	0.000	1	107.9854	0.102	7	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.0023	0.346	6	107.9854	0.102	7	107.2150	1.248	20	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,2|C<4>}	H(C[5]C[5]2C)	105.8320	0.000	1	107.1603	1.398	3	107.2258	1.147	5	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,3|C<4>}	H(C[5]C[5]2C)	107.8245	0.385	2	107.1603	1.398	3	107.2258	1.147	5	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.3860	0.000	1	106.3860	0.000	1	107.2258	1.147	5	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.2620	0.000	1	108.2620	0.000	1	107.2258	1.147	5	107.2217	1.132	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]B[5,5]C[5]C)	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]B[5,5]C[5]C)	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H)	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2	H(C[5]B[5]C[5]C)	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H){2|C<4>,4|C<3>}	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2{2|C<3>}	H(C[5]B[5]C[5]C)	105.2750	0.000	1	105.2750	0.000	1	105.1443	0.015	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2	H(C[5]B[5]C[5]C)	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]B[5]C[5]C)	105.0790	0.061	2	105.0790	0.004	2	105.1443	0.015	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:Si-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	H(C[5]B[5]C[5]Si)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<1>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<1>,6|C<3>}	H(C[5]B[5]C[5]Si)	105.4380	0.000	1	104.9475	0.481	2	104.9475	0.481	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:Si-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	H(C[5]B[5]C[5]Si)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<2>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<2>,6|C<3>}	H(C[5]B[5]C[5]Si)	104.4570	0.000	1	104.9475	0.481	2	104.9475	0.481	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2C)	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{2|C<4>}	H(C[5]C[5]2C)	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2	H(C[5]C[3,5,6,6]C[5]C)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2{3|C<4>}	H(C[5]C[3,5,6,6]C[5]C)	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2	H(C[5]C[3,5,6]C[5]2)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[3,5,6]C[5]2)	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]C)	105.7855	0.582	2	105.7855	0.339	2	108.3252	2.450	16	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]C)	108.3930	0.000	1	108.3930	0.000	1	108.3252	2.450	16	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]C)	107.0147	0.257	3	107.0147	0.066	3	108.3252	2.450	16	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]C)	107.6710	0.000	1	107.6710	0.000	1	108.3252	2.450	16	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]C)	109.0287	1.009	6	109.0287	1.017	6	108.3252	2.450	16	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]C)	110.0465	0.260	2	110.0465	0.067	2	108.3252	2.450	16	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H){1|N<3>,2|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]C)	110.2600	0.000	1	110.2600	0.000	1	108.3252	2.450	16	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5,6]C[5]C)	107.7530	0.378	2	107.7530	0.143	2	107.5065	0.306	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5,6]C[5]C)	107.7760	0.000	1	107.2600	0.533	2	107.5065	0.306	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]C)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5,6]C[5]C)	106.7440	0.000	1	107.2600	0.533	2	107.5065	0.306	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HH)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[3x5]C[5]C)	105.4850	0.000	1	105.4850	0.000	1	105.4850	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5]C[5]C)	105.2590	0.000	1	106.4883	1.203	3	107.1537	2.302	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[3x5]C[5]C)	107.3670	0.000	1	106.4883	1.203	3	107.1537	2.302	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[3x5]C[5]C)	106.8390	0.000	1	106.4883	1.203	3	107.1537	2.302	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3x5]C[5]C)	109.8910	0.000	1	109.8910	0.000	1	107.1537	2.302	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[3x5]C[5]C)	106.7830	0.083	2	106.7830	0.007	2	107.1537	2.302	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2	H(C[5]C[4,5,5]C[5]C)	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[4,5,5]C[5]C)	109.3290	1.547	2	109.3290	2.394	2	109.3290	2.394	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H)	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]C)	108.1960	0.000	1	108.1960	0.000	1	108.5595	0.264	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]C)	108.9230	0.000	1	108.9230	0.000	1	108.5595	0.264	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]C)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,3x6]C[5]C)	106.7630	0.000	1	106.7630	0.000	1	107.5670	2.524	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,3x6]C[5]C)	106.9620	0.000	1	108.4510	4.434	2	107.5670	2.524	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,3x6]C[5]C)	109.9400	0.000	1	108.4510	4.434	2	107.5670	2.524	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5,3x6]C[5]C)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,3x6]C[5]C)	106.6030	0.000	1	106.6030	0.000	1	107.5670	2.524	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]C)	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H){3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6,6]C[5]C)	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.9700	0.000	1	107.9700	0.000	1	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H){2|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2{2|C<4>,2|O<1>}	H(C[5]C[5,5,6]C[5]C)	108.4540	0.000	1	108.4540	0.000	1	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	106.6450	0.942	3	106.7800	0.268	13	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.0680	0.000	1	106.7800	0.268	13	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	106.7500	0.410	8	106.7800	0.268	13	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.1370	0.000	1	106.7800	0.268	13	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	106.7950	0.000	1	106.7950	0.000	1	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]C)	109.1370	0.000	1	108.5863	7.439	9	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5,6]C[5]C)	113.7540	0.000	1	108.5863	7.439	9	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.7773	2.340	3	108.5863	7.439	9	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.0135	1.962	4	108.5863	7.439	9	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	107.2280	0.000	1	107.6575	0.369	2	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]C)	108.0870	0.000	1	107.6575	0.369	2	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,5,6]C[5]C)	107.1840	0.000	1	107.1840	0.000	1	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5,6]C[5]C)	109.7837	2.338	4	109.7837	5.466	4	107.8209	3.749	32	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H)	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]C)	107.1330	0.048	2	107.1330	0.002	2	107.1330	0.002	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]C)	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	110.4085	0.961	2	110.4085	0.923	2	110.4085	0.923	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]C)	108.0080	0.000	1	108.0080	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]C)	108.1120	0.000	1	108.1120	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]C)	106.7310	0.000	1	106.8655	0.036	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	107.0000	0.000	1	106.8655	0.036	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]C)	108.6160	0.000	1	108.6160	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2{1|Zr<12>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	109.3580	0.000	1	109.3580	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.3420	0.328	2	107.3420	0.108	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]C)	108.3380	0.000	1	108.3380	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.8670	0.000	1	108.8165	0.005	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.7660	0.000	1	108.8165	0.005	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]C)	107.1400	0.000	1	107.1400	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5,5]C[5]C)	107.9760	0.000	1	108.0810	0.022	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){4|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5,5]C[5]C)	108.1860	0.000	1	108.0810	0.022	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	108.0220	0.000	1	107.9417	0.034	3	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.9015	0.240	2	107.9417	0.034	3	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.4195	0.049	2	107.4195	0.002	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]C)	110.6210	0.000	1	110.6210	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.3590	0.000	1	106.6090	0.125	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.8590	0.000	1	106.6090	0.125	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.8813	0.397	3	107.8813	0.157	3	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5,5]C[5]C)	108.4295	0.296	2	108.4295	0.088	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	106.1760	0.000	1	106.1760	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]C)	107.4590	0.000	1	107.4590	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]C)	106.0300	0.000	1	106.0300	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]C)	108.3070	0.243	2	108.3070	0.059	2	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]C)	110.8920	0.000	1	110.8920	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]C[5,5]C[5]C)	110.2190	0.000	1	110.2190	0.000	1	108.0052	1.258	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H)	C[5](C[5]C[5,5]CH)(S[5]C[5,5]OO)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]CH)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]C)	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	C[5](P[5]C[5,5]C[6a]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	C[5](P[5]C[5,5]C[6a]2)(C[5]C[5,5]CH)(H)2{2|B<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]C)	108.4440	0.663	2	108.4440	0.440	2	108.4440	0.440	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]2)	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5,5]C[5]C[6])	103.9665	0.506	2	103.9665	0.256	2	105.0257	3.493	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]C[6])	107.1440	0.000	1	107.1440	0.000	1	105.0257	3.493	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]C)	106.8050	0.574	2	106.8050	0.330	2	106.8050	0.330	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6,6]C[5]C)	107.5560	0.000	1	107.5560	0.000	1	107.5560	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6,6]C[5]C)	106.0640	0.000	1	106.0640	0.000	1	106.0640	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6,6]C[5]C)	109.3595	0.053	2	109.3595	0.003	2	107.6876	1.430	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6,6]C[5]C)	108.3060	0.000	1	108.3060	0.000	1	107.6876	1.430	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]C)	105.9120	0.000	1	105.9120	0.000	1	107.6876	1.430	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]C)	107.2040	0.000	1	107.2040	0.000	1	107.6876	1.430	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]C)	107.6625	0.767	2	107.2618	0.450	4	107.6876	1.430	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]C)	107.1040	0.000	1	107.2618	0.450	4	107.6876	1.430	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]C)	106.6180	0.000	1	107.2618	0.450	4	107.6876	1.430	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[3]C[5])	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[3]C[5])	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C)	107.3590	0.000	1	107.3590	0.000	1	107.3590	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]C)	108.0330	1.134	3	108.0330	1.285	3	108.3515	1.263	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]C)	109.3070	0.000	1	109.3070	0.000	1	108.3515	1.263	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.4470	0.000	1	107.4470	0.000	1	108.2701	1.187	8	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.5010	0.000	1	108.5010	0.000	1	108.2701	1.187	8	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]C)	109.1000	0.000	1	109.1000	0.000	1	108.2701	1.187	8	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	108.1050	0.231	2	108.1050	0.053	2	108.2701	1.187	8	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.1790	0.000	1	106.1790	0.000	1	108.2701	1.187	8	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	109.4710	0.000	1	109.4710	0.000	1	108.2701	1.187	8	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.2530	0.000	1	109.2530	0.000	1	108.2701	1.187	8	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.9430	0.000	1	106.9430	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.8340	0.000	1	106.8340	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.7328	1.033	4	108.7328	1.067	4	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.1457	0.045	3	107.1457	0.002	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]C)	106.6105	0.105	2	106.6105	0.011	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.9860	0.000	1	109.9860	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,7|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	105.1230	0.000	1	105.1230	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.0720	0.294	2	108.0720	0.087	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.7910	0.000	1	108.7910	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.8350	0.000	1	108.8350	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]C)	110.2945	0.012	2	110.2945	0.000	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	110.6510	0.000	1	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.2621	0.354	7	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.0808	0.744	19	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.2153	0.178	3	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.5720	0.000	1	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.4301	0.358	18	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]C)	106.9940	0.000	1	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.5640	0.656	2	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.5610	0.000	2	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.0278	3.857	6	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.1337	1.599	122	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]C)	105.8490	0.000	1	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.6780	0.290	5	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.1014	0.608	156	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]C)	107.3941	0.814	13	107.1874	1.421	357	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{4|C<4>}	H(C[5]C[5,6]C[5]C)	107.2455	0.100	2	107.2455	0.010	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	105.7198	0.344	4	105.8293	0.122	8	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.0700	0.396	2	105.8293	0.122	8	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.8075	0.421	2	105.8293	0.122	8	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	107.1220	0.000	1	107.1220	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.0390	0.105	2	108.0390	0.011	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.3190	0.107	3	107.3190	0.012	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|F<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.7475	0.284	4	107.7475	0.081	4	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.2630	0.000	1	107.3342	0.129	4	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.3580	0.435	3	107.3342	0.129	4	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.7810	0.000	1	106.7810	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.4620	0.000	1	106.9835	0.544	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.5050	0.000	1	106.9835	0.544	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.4740	0.000	1	107.1888	0.675	5	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.8675	0.460	4	107.1888	0.675	5	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.8060	1.172	3	105.8060	1.375	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.7030	0.000	1	106.7030	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]C)	108.8110	0.000	1	107.8258	2.446	6	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.6700	1.203	3	107.8258	2.446	6	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|N<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.2100	0.000	1	107.8258	2.446	6	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.9240	0.000	1	107.8258	2.446	6	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.0230	0.000	1	109.0230	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	109.1570	0.000	1	108.4437	0.385	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	108.0870	0.088	2	108.4437	0.385	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.5230	0.000	1	109.1050	5.005	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]C)	110.6870	0.000	1	109.1050	5.005	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	106.8540	0.000	1	107.1020	0.434	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.2260	0.881	2	107.1020	0.434	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.9960	0.625	6	106.9960	0.390	6	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)2(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.1605	0.067	2	108.1605	0.005	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]C)	108.6045	0.350	2	108.3842	0.902	18	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.9940	0.057	2	108.3842	0.902	18	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	105.9900	0.000	1	108.3842	0.902	18	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.4085	0.354	8	108.3842	0.902	18	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.7060	0.000	1	108.3842	0.902	18	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.5150	0.055	3	108.3842	0.902	18	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.2090	0.000	1	108.3842	0.902	18	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.9340	0.263	2	106.9340	0.069	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]C)	107.9100	0.228	2	107.9100	0.052	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]C)	108.8135	0.190	2	107.9947	2.030	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]C)	106.3570	0.000	1	107.9947	2.030	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.2170	0.433	2	107.2170	0.187	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.7610	0.000	1	108.7610	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]C)	107.9140	0.000	1	107.9140	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	109.7140	0.000	1	109.7140	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]C)	106.0400	0.000	1	106.0400	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	112.7630	0.000	1	112.7630	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.1780	0.000	1	106.1780	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.8860	0.096	2	108.8860	0.009	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	107.5950	0.000	1	107.5950	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]C)	110.8090	0.000	1	110.8090	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]C)	108.5140	0.025	2	108.5140	0.001	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.7215	1.375	2	108.7215	1.892	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5,6]C[5]C)	108.3480	0.000	1	108.3480	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]C)	109.5450	0.642	2	109.1803	0.605	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]C)	108.4510	0.000	1	109.1803	0.605	3	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]C)	104.6300	0.000	1	104.6300	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[5]C)	109.9075	0.326	2	109.9075	0.106	2	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	110.1330	0.000	1	110.1330	0.000	1	107.3487	1.620	484	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H){2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2{1|C<3>,2|O<2>,7|C<4>}	H(C[5]C[5,6]C[4]C[5])	103.5640	0.242	4	103.5640	0.058	4	103.5640	0.058	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[5]C[5,6]C[5]2)	103.7810	0.000	1	103.7810	0.000	1	103.7810	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]2)	106.9670	0.404	2	106.9670	0.164	2	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H){4|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]2)	105.9390	0.000	1	105.9390	0.000	1	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]2)	105.6465	0.103	2	105.6465	0.011	2	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]2)	107.8180	0.276	2	107.8180	0.076	2	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]2)	108.4282	0.659	5	108.4282	0.434	5	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]2)	108.2625	0.168	2	107.9753	0.405	19	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]2)	107.9891	0.687	14	107.9753	0.405	19	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]2)	107.7193	0.615	3	107.9753	0.405	19	107.7572	0.863	31	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C[6])	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C[6])	107.5630	0.153	2	107.4770	0.034	3	107.4770	0.034	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|O<2>,4|C<4>,8|H<1>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]C[6])	107.3050	0.000	1	107.4770	0.034	3	107.4770	0.034	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(SC[6a]OO)(H){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]S)	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5,6]C[5]S)	106.0290	0.000	1	106.0290	0.000	1	106.0290	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]Si)	104.6770	0.000	1	104.6770	0.000	1	104.6770	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]C[6])	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:B-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2B)	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2B)	107.8110	0.000	1	107.8110	0.000	1	107.5530	0.029	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2B)	107.4750	0.000	1	107.4750	0.000	1	107.5530	0.029	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2B)	107.5090	0.000	1	107.4993	0.032	3	107.5530	0.029	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2B)	107.4945	0.252	2	107.4993	0.032	3	107.5530	0.029	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2B)	107.5340	0.000	1	107.5340	0.000	1	107.5530	0.029	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H)	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H){1|C<3>,3|H<1>}	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2B)	107.8130	0.000	1	107.8130	0.000	1	107.6175	0.076	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2	H(C[5]C[5]2B)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2B)	107.4220	0.000	1	107.4220	0.000	1	107.6175	0.076	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H){2|C<3>,2|H<1>}	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|P<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2{3|C<4>}	H(C[5]C[5]2C)	107.4310	0.000	1	107.4310	0.000	1	109.8080	11.300	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	112.1850	0.000	1	112.1850	0.000	1	109.8080	11.300	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H)	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H){1|O<2>,3|C<4>}	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.5495	0.156	2	108.5495	0.024	2	108.5495	0.024	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H)	C[5](C[4,5]C[4,5,6]C[4]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H){1|O<2>,3|C<4>}	C[5](C[4,5]C[4,5,6]C[4]O)(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.5375	0.175	2	108.5375	0.031	2	108.5375	0.031	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[5]C[5]2C)	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.6230	0.000	1	108.6445	0.001	2	108.6445	0.001	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.6660	0.000	1	108.6445	0.001	2	108.6445	0.001	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2C)	108.0490	1.093	2	108.0490	1.195	2	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.5390	0.000	1	108.5390	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	107.9340	0.000	1	107.9340	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5]2C)	107.4120	0.000	1	107.4120	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.4750	0.000	1	107.4750	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|H<1>,2|S<2>}	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.5735	0.080	2	107.5735	0.006	2	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.3670	0.000	1	108.3670	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.8630	0.379	2	108.8630	0.144	2	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.1070	0.277	2	109.1070	0.077	2	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[5]C[5]2C)	107.1437	0.353	4	107.1437	0.125	4	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5]2C)	108.5713	1.278	3	108.5713	1.633	3	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.4370	0.157	2	108.4370	0.025	2	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H){1|H<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2C)	110.2400	0.000	1	110.2400	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CC3)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2C)	107.6320	0.000	1	107.6320	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CC3)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.6130	0.000	1	107.4340	0.064	2	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CC3)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2C)	107.2550	0.000	1	107.4340	0.064	2	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.3690	0.000	1	107.3690	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)2(CH3)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)2(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.3540	0.000	1	107.3540	0.000	1	108.0549	0.790	28	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(CH3)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6,6]HH)2(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.6920	0.000	1	109.6920	0.000	1	109.0825	0.743	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(CH3)(H)	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6,6]HH)2(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.4730	0.000	1	108.4730	0.000	1	109.0825	0.743	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2C)	106.6130	0.000	1	106.6130	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.1220	0.000	1	109.1220	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.5440	0.485	3	108.4180	0.220	4	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.0400	0.000	1	108.4180	0.220	4	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.4280	0.000	1	108.4280	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.1330	0.000	2	107.9697	0.080	3	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.6430	0.000	1	107.9697	0.080	3	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.0890	0.000	1	108.0890	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5]2C)	106.3570	0.000	1	106.3570	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2C)	106.7118	0.701	13	106.6356	0.535	14	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2C)	105.6450	0.000	1	106.6356	0.535	14	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.0505	0.868	2	108.0505	0.753	2	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	106.6288	1.117	5	106.6288	1.248	5	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2C)	108.4800	0.000	1	108.4800	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2C)	108.2870	0.000	1	108.2870	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5]2C)	106.0140	0.000	1	106.0140	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.9330	0.000	1	107.9330	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5]2C)	108.4150	0.000	1	108.4150	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2C)	109.2530	0.000	1	109.2530	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(CH3)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2C)	108.2690	0.000	1	108.2690	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(CH3)(H)	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.3470	0.000	1	108.3470	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(CHHS)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	112.5520	0.000	1	112.5520	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)2(CHHS)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2C)	110.7550	0.000	1	110.7550	0.000	1	107.5963	1.982	43	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(Cl)2	H(C[5]C[5]2C)	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(Cl)2{1|S<4>,2|H<1>}	H(C[5]C[5]2C)	108.0405	0.401	2	108.0405	0.161	2	108.0405	0.161	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	H(C[5]C[5]2C)	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,4|H<1>}	H(C[5]C[5]2C)	108.3100	0.000	1	108.3100	0.000	1	107.9973	0.668	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2C)	108.8760	0.262	2	108.8760	0.068	2	107.9973	0.668	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.6720	0.000	1	107.6720	0.000	1	107.9973	0.668	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.1250	0.000	2	107.1250	0.000	2	107.9973	0.668	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2C)	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	106.6620	0.000	1	105.9247	2.746	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	105.5560	2.162	2	105.9247	2.746	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.3845	1.401	2	107.3845	1.962	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	106.2965	0.562	2	106.2965	0.316	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.2990	0.000	1	107.2990	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5]2C)	107.4260	0.000	1	107.4260	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2C)	109.4465	0.016	2	109.4465	0.000	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2C)	105.4650	0.000	1	105.4650	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.9000	0.000	1	107.9000	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.5580	0.000	1	107.5580	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.3440	0.430	2	107.3440	0.185	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H){1|C<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7250	0.000	1	108.7250	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5]2C)	117.0390	0.000	1	117.0390	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.2892	0.287	5	109.5853	19.031	8	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	113.4120	5.595	3	109.5853	19.031	8	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2C)	106.5850	0.000	1	106.5850	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[5]C[5]2C)	107.3900	0.000	1	107.0470	0.235	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	106.7040	0.000	1	107.0470	0.235	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.0860	0.000	1	108.0860	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.2010	0.000	1	107.0040	0.078	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.8070	0.000	1	107.0040	0.078	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|C<4>}	H(C[5]C[5]2C)	109.0717	2.025	3	109.0717	4.102	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.0540	0.000	1	107.0540	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	107.4680	0.513	2	106.2486	2.805	5	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.2800	0.000	1	106.2486	2.805	5	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2C)	104.5135	0.948	2	106.2486	2.805	5	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.0060	0.000	1	107.1965	2.149	11	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.4717	0.508	3	107.1965	2.149	11	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2C)	105.6593	0.711	3	107.1965	2.149	11	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.8270	1.641	3	107.1965	2.149	11	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.2810	0.000	1	107.1965	2.149	11	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.0477	0.585	3	107.0477	0.342	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.1290	0.000	1	107.1290	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.2470	0.000	1	108.0490	0.078	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.8510	0.000	1	108.0490	0.078	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	107.7490	0.000	1	108.6994	0.983	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	109.7400	0.000	1	108.6994	0.983	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2C)	109.1370	0.000	1	108.6994	0.983	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.6660	0.105	2	108.6994	0.983	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.3958	1.379	5	108.6994	0.983	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.2280	0.028	2	108.6994	0.983	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.5200	0.000	1	109.5200	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	105.5250	0.006	2	105.5250	0.000	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.0210	0.038	2	109.0210	0.001	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.3730	0.000	1	107.3730	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.1060	0.000	1	108.1060	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.0860	0.000	1	108.0860	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	108.4070	2.443	4	108.4070	5.968	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.8940	0.000	1	109.8940	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.8180	0.129	2	106.8180	0.017	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	108.1690	0.000	1	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	107.2580	0.000	1	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.6628	0.080	4	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.4030	0.000	1	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.4621	1.119	8	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.2980	0.000	1	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.1550	1.933	2	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.6860	0.270	2	108.8579	1.725	20	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.1780	0.000	1	109.1780	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.4635	1.361	2	108.4635	1.853	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.9200	0.000	1	109.9200	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	108.1100	0.000	1	108.1100	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2C)	107.9330	0.000	1	106.9733	1.778	6	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.3708	0.528	4	106.9733	1.778	6	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2C)	104.4240	0.000	1	106.9733	1.778	6	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	107.8760	0.393	2	107.8760	0.155	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.5960	0.000	1	107.8665	0.146	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.1370	0.000	1	107.8665	0.146	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.7430	0.000	1	107.7430	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2C)	104.3340	0.145	4	104.3340	0.021	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.1470	0.396	3	108.1470	0.157	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.2500	0.226	2	108.7437	0.345	7	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.9412	0.578	5	108.7437	0.345	7	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.1120	0.000	1	108.1120	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.8525	0.524	2	107.8525	0.275	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(CC3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	H(C[5]C[5]2C)	107.8320	0.000	1	107.8320	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2C)	108.3830	0.000	1	108.3830	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	107.6605	0.134	2	107.6605	0.018	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	107.2780	0.000	1	107.2780	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2C)	108.8470	0.000	1	108.8470	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2C)	107.8900	0.000	1	107.8900	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	112.8910	0.578	3	111.5602	7.306	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2C)	107.5680	0.000	1	111.5602	7.306	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2C)	109.9060	0.000	1	109.9060	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.8820	0.000	1	107.8820	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.3530	0.000	1	107.3530	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.2050	0.000	1	106.2050	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.1735	0.101	2	107.4207	0.130	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.6680	0.369	2	107.4207	0.130	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.3000	0.000	1	107.3000	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	108.2900	0.000	1	108.2900	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.0560	0.000	1	109.0560	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.5558	0.728	10	108.0691	0.400	31	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.8595	0.349	15	108.0691	0.400	31	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.3050	0.147	2	108.0691	0.400	31	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.5203	0.624	4	108.0691	0.400	31	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	106.9915	0.701	2	106.9915	0.491	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	112.5000	0.000	1	112.5000	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2C)	108.0020	0.000	1	108.0020	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2C)	109.0980	0.000	1	109.0980	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2C)	109.3177	0.352	3	109.3177	0.124	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2C)	107.7980	0.000	1	107.7980	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.4800	0.000	1	108.4800	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	110.1510	0.000	1	110.1510	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.9700	0.000	1	108.9700	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.7717	0.722	3	109.5245	0.592	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.7830	0.000	1	109.5245	0.592	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2010	0.000	1	109.2010	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[5]C[5]2C)	108.5835	2.573	2	108.5835	6.621	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2C)	107.9640	0.000	1	107.9640	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.9580	0.000	1	109.9580	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	107.6190	0.000	1	107.6190	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	112.9750	0.000	1	112.9750	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.1030	0.000	1	110.1030	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2C)	107.9453	0.517	8	107.9453	0.267	8	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	109.2470	0.554	2	109.2470	0.307	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.2207	0.959	3	109.2207	0.919	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2C)	109.4170	0.000	1	109.4170	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	109.6740	0.000	1	109.6740	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2C)	110.2430	0.000	1	110.2430	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.9970	0.336	4	106.9970	0.113	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC3)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.0285	0.337	4	107.0285	0.113	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	107.7765	0.250	4	107.7765	0.062	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCN)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	109.7180	0.216	2	107.9375	4.261	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	106.1570	0.238	2	107.9375	4.261	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2C)	109.7940	0.604	2	109.7940	0.365	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCCO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.8440	0.577	2	109.8440	0.333	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.3921	0.237	10	108.3921	0.056	10	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	110.0000	0.000	1	109.1510	0.235	5	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.9387	0.116	4	109.1510	0.235	5	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.0780	0.000	1	106.8580	9.857	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHO)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(H)2{4|H<1>}	H(C[5]C[5]2C)	104.6380	0.000	1	106.8580	9.857	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[5]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[5]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.5155	0.030	2	108.5155	0.001	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	109.5825	0.023	2	109.5825	0.001	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]2C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	107.6355	0.595	2	107.6355	0.354	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]CC)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	114.1700	0.000	1	114.1700	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]CO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]CO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	107.4653	0.022	3	107.4653	0.000	3	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CC[6a]HN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CC[6a]HN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.5150	0.275	4	108.5150	0.076	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.2120	0.000	1	108.2364	1.169	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2C)	108.1477	1.087	11	108.2364	1.169	12	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CH3)(H)	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(H)2{4|H<1>}	H(C[5]C[5]2C)	107.8520	0.000	1	107.8520	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CHHN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CHHN)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2C)	109.5420	0.030	2	109.5420	0.001	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.4750	0.000	1	108.4750	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]NiH)(C[5]C[5]HH)(CNiCH)(H)	C[5](C[5]C[5]NiH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]NiH)(C[5]C[5]HH)(CNiCH)(H){1|Ni<5>,2|H<1>}	C[5](C[5]C[5]NiH)(C[5]C[5]CH)(H)2{1|Ni<6>,2|H<1>}	H(C[5]C[5]2C)	114.8740	0.000	1	114.8740	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.8470	0.328	2	109.8470	0.108	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.1730	0.000	1	109.1730	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.9870	0.000	1	107.9870	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	107.6317	1.297	4	107.6317	1.682	4	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H){1|B<3>,1|H<1>,3|C<3>}	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	108.3470	0.000	1	108.3470	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	109.3450	0.000	1	109.3450	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2C)	106.0090	0.199	2	106.0090	0.040	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.8730	0.000	1	109.8730	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	108.5374	0.783	5	108.5374	0.612	5	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2C)	110.6030	0.000	1	110.6030	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.9800	0.000	1	108.9800	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	109.9390	0.000	1	109.9390	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2C)	111.0080	0.000	2	111.0080	0.000	2	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2C)	108.9010	0.000	1	108.9010	0.000	1	108.3007	2.958	323	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H){1|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	105.8190	0.000	1	105.8190	0.000	1	105.8190	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	109.3240	0.000	1	109.3240	0.000	1	108.9857	0.233	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.4330	0.000	1	108.8165	0.294	2	108.9857	0.233	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2C)	109.2000	0.000	1	108.8165	0.294	2	108.9857	0.233	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2C)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|B<3>,1|B<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.7975	0.118	2	108.7975	0.014	2	108.7975	0.014	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2{1|C<3>,1|N<2>,3|O<2>,4|H<1>}	H(C[5]C[5]3)	107.7220	0.000	1	107.7220	0.000	1	109.2647	26.185	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5]3)	106.5650	0.000	1	109.7790	37.690	3	109.2647	26.185	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5]C[5]3)	111.3860	7.739	2	109.7790	37.690	3	109.2647	26.185	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2	H(C[5]C[5]3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5]3)	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	107.7010	0.000	1	107.1285	0.656	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]3)	106.5560	0.000	1	107.1285	0.656	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]3)	109.2200	0.000	1	109.2200	0.000	1	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]3)	107.6415	0.392	2	107.6415	0.154	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5]3)	107.4920	0.016	2	107.4920	0.000	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]3)	107.7630	0.000	1	107.7630	0.000	1	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]3)	108.1553	1.888	3	108.1553	3.563	3	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	106.5190	0.000	1	106.7355	0.094	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	106.9520	0.000	1	106.7355	0.094	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]3)	109.0380	0.529	2	109.0380	0.280	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Ir)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2Ir)(C[5]C[5]HH)2(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	107.3025	0.043	2	107.3025	0.002	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H){1|N<4>,3|H<1>,4|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	109.3055	0.114	2	108.3197	1.300	4	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	107.3340	0.023	2	108.3197	1.300	4	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2Rh)(C[5]C[5]HH)2(H){1|N<4>,3|H<1>,4|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	109.3380	0.069	2	109.3380	0.005	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]3)	107.9990	0.000	1	107.9990	0.000	1	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]3)	107.7140	0.000	1	107.8550	0.058	3	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]3)	107.9255	0.295	2	107.8550	0.058	3	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]N[5,6]N[5]H)(C[5]C[5]HH)2(H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	H(C[5]C[5]3)	108.7520	0.007	2	108.7520	0.000	2	108.0396	0.989	29	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	108.9910	0.488	2	108.9910	0.238	2	108.9910	0.238	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	H(C[5]C[5]2C[6])	105.7950	0.105	2	105.7950	0.011	2	105.9060	0.249	10	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	H(C[5]C[5]2C[6])	106.9300	0.000	1	105.9338	0.315	8	105.9060	0.249	10	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	H(C[5]C[5]2C[6])	105.7914	0.422	7	105.9338	0.315	8	105.9060	0.249	10	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2C[6])	103.7940	0.000	1	103.7940	0.000	1	108.2507	4.038	7	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H){1|Si<4>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2C[6])	109.6480	0.000	1	109.6480	0.000	1	108.2507	4.038	7	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2C[6])	108.8626	0.367	5	108.8626	0.135	5	108.2507	4.038	7	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Ge-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(GeClHN)(H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Ge)	C[5](C[5]C[5]HH)2(GeClHN)(H){4|H<1>}	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2Ge)	107.7960	0.061	2	107.7960	0.004	2	107.7960	0.004	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2N)	107.8130	0.479	2	107.8130	0.230	2	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2N)	109.7850	0.000	1	109.7850	0.000	1	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	109.8755	0.289	2	109.4527	0.578	3	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	108.6070	0.000	1	109.4527	0.578	3	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2{3|H<1>,5|C<3>}	H(C[5]C[5]2N)	110.2840	0.000	1	110.2840	0.000	1	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2N)	109.9670	0.000	1	109.4397	1.781	3	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2N)	110.4300	0.000	1	109.4397	1.781	3	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2N)	107.9220	0.000	1	109.4397	1.781	3	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2N)	109.3090	0.368	2	109.3090	0.135	2	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2N)	111.5520	0.420	2	111.5520	0.176	2	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2N)	108.7428	0.244	4	108.7428	0.060	4	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2N)	111.5890	0.000	1	111.5890	0.000	1	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2N)	109.3730	0.000	1	109.3730	0.000	1	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2N)	109.9783	2.019	4	109.9783	4.074	4	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H){3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]2N)	112.3980	0.000	1	112.3980	0.000	1	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NAl2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NAl2H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.1000	0.010	2	108.1000	0.000	2	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NC[6a]AlLi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NC[6a]AlLi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	108.0155	0.032	2	108.0155	0.001	2	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	109.4175	0.732	15	109.4175	0.535	15	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NRhHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NRhHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	H(C[5]C[5]2N)	109.8935	0.531	2	109.8935	0.282	2	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(NRhHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NRhHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2N)	109.9500	0.543	2	109.9500	0.295	2	109.4900	1.399	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H)	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2N)	111.1368	0.659	4	111.1368	0.434	4	111.1368	0.434	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H)	C[5](N[5]C[5]PdH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NPdCH)(H){3|H<1>}	C[5](N[5]C[5]PdH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2N)	112.4040	0.000	1	112.4040	0.000	1	112.4040	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[5]C[5]2N[6])	107.1397	0.211	3	107.1397	0.044	3	107.1397	0.044	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:O-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(OZn3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)2(OZn3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2O)	108.7120	0.461	7	108.7120	0.212	7	108.7120	0.212	7	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H){2|C<3>,2|H<1>}	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2P)	104.3080	0.000	1	104.3080	0.000	1	104.0485	0.135	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H){2|C<3>,2|H<1>}	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{4|C<3>,4|H<1>}	H(C[5]C[5]2P)	103.7890	0.000	1	103.7890	0.000	1	104.0485	0.135	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]B[5]HH)(C[5]C[5]HH)(PC3)(H){2|C<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2P)	103.7140	0.000	1	103.7140	0.000	1	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2P)	106.7260	0.000	1	106.7260	0.000	1	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2P)	107.3830	0.000	1	107.3830	0.000	1	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H)	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2P)	109.7490	0.000	1	109.7490	0.000	1	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]2Co)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]2Co)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	106.5935	0.701	10	106.5935	0.491	10	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]2Cu)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]2Cu)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.3158	1.445	11	107.3158	2.088	11	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]2Ni)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]2Ni)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	106.9572	1.275	23	106.9572	1.625	23	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]2Pt)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]2Pt)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	106.5799	0.992	12	106.5799	0.984	12	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.1646	0.963	77	107.1646	0.928	77	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H)	C[5](C[5]C[5]RuH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]2Ru)(H){2|H<1>}	C[5](C[5]C[5]RuH)(C[5]C[5]HP)(H)2{3|H<1>}	H(C[5]C[5]2P)	114.5362	0.116	4	114.5362	0.013	4	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]BH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]BH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.8218	1.262	4	107.8218	1.594	4	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]CO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]CO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.1553	2.137	3	107.1553	4.568	3	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]CW)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]CW)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	106.8864	0.802	7	106.8864	0.643	7	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]NiN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]NiN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	108.5615	0.714	8	108.5615	0.510	8	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]PdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]PdC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.9840	0.811	8	107.9840	0.658	8	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PC[5]PdO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC[5]PdO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.9017	0.768	4	107.9017	0.589	4	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(PO3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PO3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.8195	0.074	2	107.8195	0.006	2	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H)	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2	H(C[5]C[5]2P)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2P)	108.5700	0.000	1	108.5700	0.000	1	107.3703	2.461	178	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:P[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H){1|B<4>,3|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2P[5])	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2S)	109.0420	0.000	1	109.0420	0.000	1	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[5a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[5a]OO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2S)	107.6505	0.005	2	107.6505	0.000	2	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2S)	109.5311	0.402	10	109.5159	0.223	14	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2S)	109.2890	0.712	3	109.5159	0.223	14	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2S)	110.0440	0.000	1	109.5159	0.223	14	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2S)	108.7990	0.000	1	108.7990	0.000	1	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2S)	109.2753	0.713	3	109.2753	0.508	3	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]HS)2(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|S<2>,3|H<1>}	C[5](C[5]C[5]HS)2(H)2{4|H<1>}	H(C[5]C[5]2S)	110.0320	0.000	1	110.0320	0.000	1	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2S)	109.7020	0.296	8	109.7020	0.088	8	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2S)	109.2680	0.000	1	109.2680	0.000	1	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2S)	109.4347	0.705	3	109.4347	0.497	3	109.3944	0.410	34	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H)	H(C[5]C[5]2Se)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H){4|H<1>}	H(C[5]C[5]2Se)	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H)	H(C[5]C[5]2Se)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	H(C[5]C[5]2Se)	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Se)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Br<1>,3|H<1>}	H(C[5]C[5]2Se)	108.2380	0.000	1	108.2380	0.000	1	108.2360	0.000	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Se)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	H(C[5]C[5]2Se)	108.2340	0.000	1	108.2340	0.000	1	108.2360	0.000	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H){1|C<3>,3|C<4>}	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5]2Si)	103.2020	0.000	1	103.2020	0.000	1	103.2020	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H){1|C<3>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5]2Si)	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SiC[5]OO)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiC[5]OO)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2Si)	107.1080	0.022	4	107.1080	0.000	4	107.8740	0.563	47	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SiO3)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2Si)	107.9452	0.746	43	107.9452	0.556	43	107.8740	0.563	47	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]N[5]C)	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	107.3760	0.000	1	107.3760	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.4365	0.344	2	108.4365	0.119	2	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.9303	1.134	4	108.9303	1.286	4	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0280	0.000	1	109.0280	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6430	0.000	1	108.6430	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H)	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	114.7560	0.000	1	114.7560	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.4895	0.384	2	109.4895	0.147	2	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]N[5]C)	109.1327	0.166	3	109.1327	0.028	3	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0020	1.674	2	108.9551	0.544	14	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.6704	0.549	5	108.9551	0.544	14	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8267	0.268	6	108.9551	0.544	14	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.0550	0.000	1	108.9551	0.544	14	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	107.6710	0.000	1	107.6710	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	108.8080	0.475	2	108.8080	0.226	2	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.3450	0.000	1	108.7617	1.498	3	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	108.4700	1.577	2	108.7617	1.498	3	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	112.0500	0.000	1	112.0500	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.2900	0.000	1	109.5935	0.244	4	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.6947	0.552	3	109.5935	0.244	4	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.2093	0.489	3	109.2093	0.239	3	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.2750	0.000	1	109.2750	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]C)	109.2417	0.290	3	109.2417	0.084	3	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.7650	0.000	1	109.7650	0.000	1	109.1778	1.386	48	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Al<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	108.7590	0.969	11	108.7590	0.939	11	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Co<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.5600	0.000	1	109.5600	0.000	1	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	110.4207	1.742	4	109.2740	1.393	23	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.3670	0.599	15	109.2740	1.393	23	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<7>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	107.7788	0.852	4	109.2740	1.393	23	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mg<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.8570	0.400	2	109.8570	0.160	2	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mn<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.6082	0.177	9	109.6082	0.031	9	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mo<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.5932	0.237	4	109.5932	0.056	4	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2N[5])	110.0463	0.104	3	110.0463	0.011	3	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H){1|C<5>,2|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|N<4>,3|H<1>}	H(C[5]C[5]2N[5])	109.6715	0.013	2	109.6715	0.000	2	109.3319	0.882	55	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]Si)	104.6350	0.000	1	104.6350	0.000	1	107.2135	4.917	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]Si)	108.1930	2.408	2	108.1930	5.800	2	107.2135	4.917	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]Si)	107.8330	0.000	1	107.8330	0.000	1	107.2135	4.917	4	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H){3|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{2|C<4>,5|C<3>}	H(C[5]C[5]P[5]C)	106.8200	1.369	2	106.8200	1.874	2	106.4160	1.427	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H){1|Si<4>,2|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|Si<4>,2|C<4>,4|C<3>}	H(C[5]C[5]P[5]C)	105.6080	0.000	1	105.6080	0.000	1	106.4160	1.427	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]P[5]C)	107.8070	0.000	1	107.8070	0.000	1	107.6661	0.819	21	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]P[5]C)	109.0630	0.301	2	109.0630	0.091	2	107.6661	0.819	21	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<5>,2|C<4>}	H(C[5]C[5]P[5]C)	107.4310	0.570	4	107.5031	0.700	18	107.6661	0.819	21	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<6>,2|C<4>}	H(C[5]C[5]P[5]C)	107.5237	0.915	14	107.5031	0.700	18	107.6661	0.819	21	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H){6|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2P[5])	107.3355	0.759	2	107.3355	0.576	2	107.8892	0.354	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2P[5])	108.0864	0.599	5	108.0864	0.358	5	107.8892	0.354	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2P[5])	107.9500	0.099	2	107.9500	0.010	2	107.8892	0.354	9	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5]S[5]C)	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]S[5]C)	107.5580	0.000	1	107.5580	0.000	1	108.5375	1.919	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H)	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]S[5]C)	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2{1|C<4>,2|O<1>}	H(C[5]C[5]S[5]C)	109.5170	0.000	1	109.5170	0.000	1	108.5375	1.919	2	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2	H(C[5]C[5,6]C[6,6]C[5])	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<1>,3|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[6,6]C[5])	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2C[6])	108.4470	0.000	1	108.4470	0.000	1	109.5270	5.376	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H){1|N<3>,2|N<2>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]2C[6])	108.1030	0.030	2	108.1030	0.001	2	109.5270	5.376	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2C[6])	107.5880	0.000	1	107.5880	0.000	1	109.5270	5.376	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2C[6])	112.4605	0.828	2	112.4605	0.686	2	109.5270	5.376	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]C)	109.1085	0.210	2	109.1085	0.044	2	109.1760	0.036	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]C)	109.3110	0.000	1	109.3110	0.000	1	109.1760	0.036	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2{1|B<4>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]C)	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]2)	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3200	0.000	1	109.3200	0.000	1	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,3|H<1>}	H(C[5]C[5]N[5]C)	110.7755	0.197	2	110.7755	0.039	2	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.3593	0.319	4	109.3593	0.102	4	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]N[5]C)	109.7970	0.000	1	109.7970	0.000	1	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8650	0.307	4	109.8650	0.095	4	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.4444	0.475	5	109.4444	0.225	5	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.5650	0.000	1	110.5650	0.000	1	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]FeH)(C[5]C[5]HH)(CC[5]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]FeH)(C[5]C[5]HH)(CC[5]CC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	106.8174	0.192	8	106.8174	0.037	8	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	108.8220	0.431	6	108.8220	0.186	6	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.0835	0.708	4	110.0835	0.502	4	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mn<6>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	110.3675	0.006	2	110.3675	0.000	2	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mo<6>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0610	1.250	2	109.0610	1.563	2	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9610	0.000	1	109.9610	0.000	1	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.1925	0.771	6	109.1925	0.595	6	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<5>,3|H<1>}	H(C[5]C[5]N[5]C)	109.9020	0.000	1	109.9020	0.000	1	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]N[5]C)	108.7545	0.185	2	108.7545	0.034	2	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<8>,3|H<1>}	H(C[5]C[5]N[5]C)	105.3450	1.011	2	105.3450	1.022	2	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	H(C[5]C[5]N[5]C)	108.1705	0.480	2	108.1705	0.231	2	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	109.8342	0.386	4	109.8342	0.149	4	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	N[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]C)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,3|H<1>}	H(C[5]C[5]N[5]C)	108.9762	1.354	4	108.9762	1.835	4	108.9809	1.798	62	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](PC[6a]C[5]H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](PC[6a]C[5]H)(C[5]C[5]HH)2(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.6490	0.617	4	107.6490	0.381	4	107.5181	0.963	12	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](PC[6a]C[5]Pd)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2P)	C[5](PC[6a]C[5]Pd)(C[5]C[5]HH)2(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2P)	107.4526	1.155	8	107.4526	1.335	8	107.5181	0.963	12	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|N<2>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|N<2>,6|C<3>}	H(C[5]C[5]P[5]C)	108.2010	0.000	1	108.2393	0.199	3	108.2393	0.199	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<1>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<1>,6|C<3>}	H(C[5]C[5]P[5]C)	107.8140	0.000	1	108.2393	0.199	3	108.2393	0.199	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<2>,6|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<2>,6|C<3>}	H(C[5]C[5]P[5]C)	108.7030	0.000	1	108.2393	0.199	3	108.2393	0.199	3	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	108.1737	0.212	4	108.1737	0.045	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H){1|Fe<10>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	106.7624	0.793	8	106.7624	0.629	8	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.8453	0.527	12	107.7804	0.231	16	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.5860	0.258	4	107.7804	0.231	16	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Se<1>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.6570	0.386	3	107.6570	0.149	3	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	106.9633	1.032	4	106.9633	1.065	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	105.5060	2.202	2	106.9985	4.661	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	108.4910	0.472	2	106.9985	4.661	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	108.6850	0.000	1	109.8317	1.070	3	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	110.4050	0.409	2	109.8317	1.070	3	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	108.0211	0.693	8	108.0211	0.480	8	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.4146	1.830	12	107.4146	3.350	12	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	108.8780	1.748	4	108.8780	3.054	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.5126	0.496	48	107.5126	0.246	48	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	107.2193	1.087	39	107.3039	1.201	49	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<7>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	108.1763	1.115	6	107.3039	1.201	49	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<8>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	106.8197	0.491	4	107.3039	1.201	49	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Se<1>,1|H<1>,2|C<4>}	H(C[5]C[5]P[5]C)	108.6920	0.583	4	108.6920	0.340	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]P[5]C)	108.9735	0.045	2	108.9735	0.002	2	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<1>,1|C<3>,2|H<1>}	H(C[5]C[5]P[5]C)	107.0945	0.190	2	107.0945	0.036	2	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5]P[5]C)	108.8692	0.482	4	108.8692	0.232	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.4402	1.261	4	107.4402	1.591	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.4885	1.190	4	107.1485	0.967	8	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	106.8085	0.729	4	107.1485	0.967	8	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	106.8363	0.642	4	106.8363	0.413	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.7638	0.596	4	107.8612	0.438	6	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	108.0560	1.006	2	107.8612	0.438	6	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.2493	0.423	3	107.2493	0.179	3	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]P[5]C)	107.0755	1.114	2	107.8375	1.193	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]P[5]C)	108.5995	0.128	2	107.8375	1.193	4	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]P[5]C)	110.4840	0.000	1	110.4840	0.000	1	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.1587	0.592	18	107.1895	0.365	22	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.3280	0.731	4	107.1895	0.365	22	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	105.1463	1.441	6	105.2490	1.805	7	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<3>}	H(C[5]C[5]P[5]C)	105.8650	0.000	1	105.2490	1.805	7	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	106.8361	0.922	67	106.8361	0.849	67	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	106.7990	1.060	7	106.7990	1.123	7	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	106.9018	0.686	20	106.9448	0.446	22	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.3745	0.151	2	106.9448	0.446	22	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]P[5]C)	107.0826	1.479	61	107.0826	2.187	61	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]P[5]C)	107.4698	0.601	4	108.1377	1.423	6	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|S<1>,2|H<1>}	H(C[5]C[5]P[5]C)	109.4735	0.824	2	108.1377	1.423	6	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<6>}	H(C[5]C[5]P[5]C)	107.0552	0.590	12	107.0552	0.348	12	107.2690	1.322	409	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H)	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]Si[6]C[5]2)	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H){2|Si<4>,4|H<1>}	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2{3|O<2>,4|H<1>}	H(C[5]Si[6]C[5]2)	108.6405	0.460	6	108.6405	0.212	6	108.6405	0.212	6	107.8134	2.334	2145	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H){1|O<1>,4|C<4>}	H(C[5]C[3,5]C[5]C)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[3,5]C[5]2)	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]N[5]CH)(CN)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[3]C[5]2)	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H)	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H){1|C<3>,4|C<4>}	H(C[5]C[3x5]C[5]C)	106.4790	0.000	1	106.4790	0.000	1	106.4790	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H){3|C<4>,4|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H){1|O<2>,6|C<4>}	H(C[5]C[5,5,6]C[5]C)	105.9650	0.000	1	105.9650	0.000	1	105.9650	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H)	H(C[5]C[5,5,6]C[5]C)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]C)	106.3430	0.000	1	106.3430	0.000	1	106.3430	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H)	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	H(C[5]C[5,5,6]C[5]2)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]2)	109.2720	0.000	1	109.2720	0.000	1	109.1015	0.058	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,5,6]C[5]2)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]2)	108.9310	0.000	1	108.9310	0.000	1	109.1015	0.058	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]C)	107.0050	0.000	1	107.0050	0.000	1	107.3815	0.284	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]C)	107.7580	0.000	1	107.7580	0.000	1	107.3815	0.284	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.8550	0.000	1	106.8550	0.000	1	107.3724	2.896	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	109.6100	0.000	1	109.6100	0.000	1	107.3724	2.896	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	104.7360	0.000	1	104.7360	0.000	1	107.3724	2.896	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.0710	0.000	1	107.0710	0.000	1	107.3724	2.896	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	108.6505	0.023	2	108.6505	0.001	2	107.3724	2.896	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]C)	106.0340	0.000	1	106.0340	0.000	1	107.3724	2.896	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]C)	109.7070	0.000	1	109.7070	0.000	1	108.7332	0.570	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.7680	0.000	1	108.7680	0.000	1	108.7332	0.570	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]C)	108.2290	0.501	2	108.2290	0.251	2	108.7332	0.570	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O[5]H)(C[5]O[5]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|H<1>,3|O<2>,6|C<4>}	H(C[5]C[5,5]C[5]2)	105.4150	0.000	1	105.4150	0.000	1	106.9740	4.861	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]2)	108.5330	0.000	1	108.5330	0.000	1	106.9740	4.861	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H)	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]Si)	103.7330	0.224	4	103.7330	0.050	4	103.7330	0.050	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6,6]C[5]C)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]C)	105.8840	0.304	2	105.8840	0.092	2	105.8840	0.092	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	107.9470	0.000	1	108.4153	0.260	4	108.4153	0.260	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.0020	0.000	1	108.4153	0.260	4	108.4153	0.260	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	108.8560	0.041	2	108.4153	0.260	4	108.4153	0.260	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.4090	0.000	1	106.3330	0.012	2	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	H(C[5]C[5,6]C[5]C)	106.2570	0.000	1	106.3330	0.012	2	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.4470	0.000	1	106.4470	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]C)	105.7310	0.000	1	105.7310	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	H(C[5]C[5,6]C[5]C)	107.5370	0.000	1	107.5370	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]C)	107.4370	0.000	1	107.1523	0.070	3	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	H(C[5]C[5,6]C[5]C)	107.0100	0.139	2	107.1523	0.070	3	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.9310	0.000	1	106.9310	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.1330	0.000	1	106.1330	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.9835	0.179	2	105.9835	0.032	2	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.8510	0.000	1	105.8510	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.8800	0.000	1	106.8800	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.4570	0.000	1	107.4570	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	107.6320	0.000	1	107.9705	0.229	2	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.3090	0.000	1	107.9705	0.229	2	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.1620	0.000	1	108.1620	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	H(C[5]C[5,6]C[5]C)	107.8140	0.000	1	107.8140	0.000	1	106.8934	0.646	19	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H)	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H){3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H){1|C<3>,1|O<1>,7|C<4>}	H(C[5]C[5,6]C[4]C[5])	103.9120	0.000	1	103.9120	0.000	1	103.9120	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]2)	106.6430	0.000	1	106.6430	0.000	1	105.3335	3.430	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]2)	104.0240	0.000	1	104.0240	0.000	1	105.3335	3.430	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]2)	106.9230	0.213	3	106.9322	0.030	4	107.2010	0.199	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]2)	106.9600	0.000	1	106.9322	0.030	4	107.2010	0.199	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]2)	107.7385	0.190	2	107.7385	0.036	2	107.2010	0.199	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2C)	109.2010	0.803	3	109.2010	0.645	3	109.2010	0.645	3	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2C)	107.9909	0.709	24	107.9909	0.503	24	107.8888	0.540	27	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2C)	107.0720	0.337	3	107.0720	0.114	3	107.8888	0.540	27	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[4,4,5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	H(C[5]C[5]2C)	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2C)	106.3010	0.680	2	106.3010	0.463	2	106.3010	0.463	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5]2C)	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2C)	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.8340	0.000	1	107.8340	0.000	1	107.8507	2.837	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	105.3130	0.000	1	105.3130	0.000	1	107.8507	2.837	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.4105	0.060	2	109.4105	0.004	2	107.8507	2.837	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.7330	0.000	1	108.7330	0.000	1	107.8507	2.837	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H){1|H<1>,5|C<4>}	H(C[5]C[5]2C)	106.4030	0.000	1	106.4030	0.000	1	107.8507	2.837	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.0395	0.837	2	108.0395	0.700	2	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.6522	1.105	5	106.6522	1.221	5	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.2740	0.000	1	108.2740	0.000	1	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.4640	0.000	1	108.4640	0.000	1	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]2C)	107.6050	0.000	1	107.6050	0.000	1	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)2(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.8560	0.000	1	107.8745	0.001	2	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)2(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.8930	0.000	1	107.8745	0.001	2	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)2(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.3800	0.000	1	107.3625	0.001	2	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)2(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.3450	0.000	1	107.3625	0.001	2	107.4398	0.890	14	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:S-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2C)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	H(C[5]C[5]2C)	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.4275	0.129	2	108.4275	0.017	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.2680	0.000	1	108.2680	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.7460	0.000	1	107.7460	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	107.4935	0.258	2	107.4935	0.067	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2C)	107.1800	0.000	1	107.1800	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.9430	0.000	1	107.9430	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	106.5250	0.000	1	106.5250	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.2160	0.000	1	110.2160	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.2530	0.488	2	107.2530	0.238	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	106.6540	0.000	1	106.6540	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.7980	0.000	1	107.7980	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	104.0553	0.866	3	104.0553	0.750	3	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	105.7970	0.000	1	105.7970	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.1987	1.502	13	106.1987	2.256	13	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.2030	0.000	1	106.2030	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.7320	0.000	1	106.7320	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.4582	0.481	4	106.4582	0.231	4	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	H(C[5]C[5]2C)	105.0160	0.000	1	105.0160	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.0360	0.000	1	107.0360	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2C)	108.4213	0.828	3	108.4213	0.686	3	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	108.6160	0.000	1	108.6160	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.8870	0.000	1	107.8870	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)2(ON)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(ON)(H){4|H<1>}	H(C[5]C[5]2C)	107.3870	0.000	1	107.3870	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.0960	0.000	1	106.0960	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)2(ON)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(ON)(H){4|H<1>}	H(C[5]C[5]2C)	107.9340	0.000	1	107.9340	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)2(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	H(C[5]C[5]2C)	107.1645	0.134	2	107.2720	0.044	3	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)2(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	H(C[5]C[5]2C)	107.4870	0.000	1	107.2720	0.044	3	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){4|H<1>}	H(C[5]C[5]2C)	107.2260	0.000	1	107.2260	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(C[5]C[5]2C)	108.2700	0.000	1	108.2700	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)2(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	H(C[5]C[5]2C)	109.0510	0.000	1	109.0510	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.8544	0.351	14	108.0831	0.411	29	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.6298	0.709	9	108.0831	0.411	29	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.3405	0.105	2	108.0831	0.411	29	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.5245	0.602	4	108.0831	0.411	29	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)2(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.8370	0.000	1	107.8370	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.1170	0.000	1	108.1170	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2C)	107.9020	0.000	1	107.9020	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	109.3880	0.246	3	109.3880	0.061	3	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.8890	0.000	1	108.8890	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H)	C[5](C[5]C[5]CH)2(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(OC)(H){1|N<3>,3|H<1>}	H(C[5]C[5]2C)	107.4510	0.228	2	107.4510	0.052	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.2675	0.697	2	108.8227	1.167	3	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	109.9330	0.000	1	108.8227	1.167	3	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.4860	0.000	1	108.2975	0.071	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.1090	0.000	1	108.2975	0.071	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.0110	0.000	1	108.0110	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	101.6740	0.000	1	101.6740	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6260	0.444	2	108.6260	0.197	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2C)	113.1330	0.000	1	113.1330	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	108.6005	1.104	2	108.6005	1.218	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.7500	0.000	1	107.7500	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	109.6090	0.000	1	109.6090	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(C[5]C[5]2C)	109.6630	0.000	1	109.6630	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2C)	107.7685	0.145	2	107.7685	0.021	2	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.1090	0.000	1	108.1090	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	107.3400	0.000	1	107.3400	0.000	1	107.6014	2.298	110	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.5250	0.000	1	107.5250	0.000	1	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5]2C)	109.1800	0.000	1	109.1800	0.000	1	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.3195	1.545	2	109.3195	2.387	2	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2C)	108.2270	0.093	3	108.2270	0.009	3	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2C)	106.8970	0.000	1	106.8970	0.000	1	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2C)	111.3420	4.214	2	109.3978	7.767	5	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	107.7150	0.000	1	109.3978	7.767	5	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2C)	107.8040	0.000	1	109.3978	7.767	5	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]2C)	108.7860	0.000	1	109.3978	7.767	5	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	104.4400	0.000	1	107.6302	3.198	5	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2C)	108.3733	0.131	3	107.6302	3.198	5	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.5910	0.000	1	107.6302	3.198	5	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	109.7700	0.000	1	109.7700	0.000	1	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	106.7310	0.000	1	107.9310	2.880	2	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	109.1310	0.000	1	107.9310	2.880	2	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.1010	0.000	1	108.1010	0.000	1	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){3|C<4>,5|H<1>}	H(C[5]C[5]2C)	109.8830	0.313	2	109.8830	0.098	2	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2C)	109.8660	0.000	1	109.8660	0.000	1	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	110.0620	0.000	1	110.0620	0.000	1	108.6727	2.895	26	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.8903	2.934	3	106.8903	8.610	3	107.6530	8.066	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	109.9410	0.000	1	109.9410	0.000	1	107.6530	8.066	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]3)	106.4300	0.000	1	106.4300	0.000	1	107.6320	1.699	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]3)	107.7940	0.000	1	107.7940	0.000	1	107.6320	1.699	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){2|C<4>,5|H<1>}	H(C[5]C[5]3)	106.4960	0.000	1	106.4960	0.000	1	107.6320	1.699	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]3)	106.9520	0.000	1	106.9520	0.000	1	107.6320	1.699	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]3)	109.0600	1.092	2	109.0600	1.192	2	107.6320	1.699	6	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[5]C[5]3)	107.4170	0.000	1	107.4170	0.000	1	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]3)	105.1060	0.000	1	106.1690	2.260	2	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]3)	107.2320	0.000	1	106.1690	2.260	2	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]3)	106.9270	0.000	1	107.7743	0.241	7	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	108.3230	0.000	1	107.7743	0.241	7	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]3)	108.3400	0.000	1	107.7743	0.241	7	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5]3)	107.8990	0.000	1	107.7743	0.241	7	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	107.6265	0.199	2	107.7743	0.241	7	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]3)	107.6780	0.000	1	107.7743	0.241	7	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]3)	109.0825	1.125	2	109.0825	1.266	2	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H)	H(C[5]C[5]3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]N[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	110.4030	0.000	1	110.4030	0.000	1	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	H(C[5]C[5]3)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	H(C[5]C[5]3)	108.3805	0.787	2	108.3805	0.619	2	107.9669	1.527	15	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2C[6])	105.7884	0.195	5	105.7884	0.038	5	105.9335	0.283	8	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2C[6])	106.8780	0.000	1	106.1753	0.775	3	105.9335	0.283	8	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2C[6])	105.8240	0.899	2	106.1753	0.775	3	105.9335	0.283	8	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H){1|Si<4>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	H(C[5]C[5]2N)	109.2770	0.718	2	109.2770	0.516	2	108.7426	0.374	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	H(C[5]C[5]2N)	108.7223	0.244	4	108.7223	0.060	4	108.7426	0.374	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	H(C[5]C[5]2N)	107.7550	0.000	1	107.7550	0.000	1	108.7426	0.374	7	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:P-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H)	C[5](C[5]C[5]HP)(PC[6a]BC)(O[5]N[5])(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H){3|C<3>}	C[5](C[5]C[5]HP)(PC[6a]BC)(O[5]N[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]2P)	109.7175	0.185	2	109.7175	0.034	2	109.7175	0.034	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2S)	110.2310	0.000	1	110.5245	0.172	2	110.5245	0.172	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){3|C<3>}	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H){1|H<1>,2|C<3>}	H(C[5]C[5]2S)	110.8180	0.000	1	110.5245	0.172	2	110.5245	0.172	2	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	H(C[5]C[5]2Se)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(C[5]C[5]2Se)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]C)	111.2340	0.000	1	111.2340	0.000	1	109.3983	1.898	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0720	0.000	1	109.0720	0.000	1	109.3983	1.898	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	107.9090	0.000	1	107.9090	0.000	1	109.3983	1.898	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]N[5]C)	109.3780	0.000	1	109.3780	0.000	1	109.3983	1.898	4	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2C[6])	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:1:	4:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	H(C[5]N[5,6]C[5]C)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]C)	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	107.6999	2.401	308	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:2:	4:	C[5,5]-4:C[4]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[4]H)(CN)2	H(C[5]C[5,5]C[4]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[4]H)(CN)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[4]C[5])	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	107.4616	3.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CN)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CN)2{1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	107.4616	3.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	107.4616	3.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	H(C[5]C[5]2C)	104.8840	0.208	2	104.8840	0.043	2	104.8840	0.043	2	107.4616	3.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH)	H(C[5]C[5]3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	H(C[5]C[5]3)	107.9415	0.248	2	107.9415	0.062	2	107.8610	0.050	3	107.4616	3.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH)	H(C[5]C[5]3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	H(C[5]C[5]3)	107.7000	0.000	1	107.7000	0.000	1	107.8610	0.050	3	107.4616	3.283	8	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3)	H(C[5]C[5]2C)	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[5]C[3,5]C[5]2)	104.3440	0.093	2	104.3440	0.009	2	104.3440	0.009	2	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]2)	105.6420	0.100	2	105.6420	0.010	2	107.5545	1.497	21	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]2)	104.0830	0.000	1	104.0830	0.000	1	107.5545	1.497	21	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]2)	108.2945	0.173	2	107.9598	0.447	18	107.5545	1.497	21	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	107.9488	0.741	13	107.9598	0.447	18	107.5545	1.497	21	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]2)	108.1055	0.237	2	107.9598	0.447	18	107.5545	1.497	21	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]2)	107.1420	0.000	1	107.9598	0.447	18	107.5545	1.497	21	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H)	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO)	H(C[5]C[5]2C)	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO){1|O<1>,4|H<1>}	H(C[5]C[5]2C)	105.7115	0.073	2	105.7115	0.005	2	105.7115	0.005	2	107.2049	2.209	26	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H)	H(C[5]C[3,5,6]C[5]2)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[3,5,6]C[5]2)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3]C[5]2)	108.6270	0.648	4	108.6270	0.420	4	108.6270	0.420	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H)	H(C[5]C[5,5,6]C[5]2)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]C[5]H)(C[5]C[5,5]HH)(CCC)(H){1|H<1>,2|C<4>,4|O<2>}	H(C[5]C[5,5,6]C[5]2)	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]C)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]C)	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)(NHS)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]C)	105.6250	0.000	1	105.6250	0.000	1	106.9870	3.710	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H){2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]C)	108.3490	0.000	1	108.3490	0.000	1	106.9870	3.710	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]2)	108.4660	0.000	1	108.4660	0.000	1	108.6143	0.047	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]2)	108.8630	0.000	1	108.8630	0.000	1	108.6143	0.047	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]O[5]H)(C[5]C[5,5]CH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]2)	108.5140	0.000	1	108.5140	0.000	1	108.6143	0.047	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]2)	105.7570	0.000	1	105.7570	0.000	1	105.7570	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(COO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6,6]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(NOO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CH)(CCO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	106.2510	0.000	1	106.2510	0.000	1	106.2510	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C)	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]C)	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	109.9820	0.000	1	109.6835	0.178	2	109.5437	0.148	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	109.3850	0.000	1	109.6835	0.178	2	109.5437	0.148	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	109.2640	0.000	1	109.2640	0.000	1	109.5437	0.148	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(CCO)(H){2|C<3>}	H(C[5]C[5,6]C[5]C)	107.5910	0.000	1	107.5910	0.000	1	107.1223	0.199	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(COO)(H){2|C<3>}	H(C[5]C[5,6]C[5]C)	106.8880	0.263	2	106.8880	0.069	2	107.1223	0.199	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H){1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]2)	106.9300	0.302	3	106.9395	0.061	4	106.9395	0.061	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]2)	106.9680	0.000	1	106.9395	0.061	4	106.9395	0.061	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H){2|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]C[6])	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:B-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2B)	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2B)	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]CH)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]CH)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H)	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H){2|C<4>}	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5]2C)	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	106.1550	0.000	1	106.1550	0.000	1	108.0309	0.925	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(CHO)(H){2|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.9840	1.117	2	107.9840	1.248	2	108.0309	0.925	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCO)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2C)	107.6310	0.000	1	107.6310	0.000	1	108.0309	0.925	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2C)	109.5120	0.000	1	109.5120	0.000	1	108.0309	0.925	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,2|O<2>}	H(C[5]C[5]2C)	108.2530	0.159	4	108.2530	0.025	4	108.0309	0.925	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.1480	0.000	1	106.1480	0.000	1	108.0160	0.950	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.1617	0.135	3	108.1617	0.018	3	108.0160	0.950	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H){3|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.4720	0.000	1	108.4720	0.000	1	108.0160	0.950	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.9910	0.000	1	108.9910	0.000	1	108.0160	0.950	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	105.8790	0.000	1	105.8790	0.000	1	105.8790	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:B-3:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.7405	0.098	2	108.7405	0.010	2	108.7405	0.010	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:Br-1:	C[5]-4:	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(Br)	H(C[5]C[5]2C)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(Br){4|H<1>}	H(C[5]C[5]2C)	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H){2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5]2C)	109.1020	0.287	2	109.1020	0.082	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	108.0730	0.000	1	108.0730	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.5610	0.000	1	107.5610	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	105.7335	0.235	2	105.7335	0.055	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.1870	0.000	1	108.1870	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	H(C[5]C[5]2C)	109.9490	0.000	1	109.9490	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	105.1290	0.000	1	105.3460	0.041	3	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]2C)(C[5]C[5]CH)(CCC)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	105.4545	0.105	2	105.3460	0.041	3	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H){4|H<1>}	H(C[5]C[5]2C)	107.4170	0.498	2	107.4170	0.248	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H){4|H<1>}	H(C[5]C[5]2C)	107.2420	0.000	1	107.2420	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){4|H<1>}	H(C[5]C[5]2C)	105.9850	0.000	1	105.9850	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	H(C[5]C[5]2C)	107.7895	1.269	2	107.7895	1.611	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.2520	0.000	1	108.2520	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	H(C[5]C[5]2C)	107.0898	3.112	5	107.0898	9.686	5	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2C)	109.8260	0.000	1	108.3040	4.633	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2C)	106.7820	0.000	1	108.3040	4.633	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(H){4|H<1>}	H(C[5]C[5]2C)	105.6340	0.007	2	105.6340	0.000	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)(H){4|H<1>}	H(C[5]C[5]2C)	109.0655	0.070	2	109.0655	0.005	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(H){4|H<1>}	H(C[5]C[5]2C)	107.9270	0.000	1	107.9270	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.7205	0.258	2	108.7205	0.067	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	108.9110	0.000	1	108.9110	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(CCO)(H){4|H<1>}	H(C[5]C[5]2C)	108.3960	0.000	1	108.7645	0.272	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(CCO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.1330	0.000	1	108.7645	0.272	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)(H){4|H<1>}	H(C[5]C[5]2C)	108.4715	1.380	2	108.4715	1.903	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.1690	0.000	1	107.1690	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.8040	0.000	1	107.8040	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2C)	110.6900	0.000	1	109.7740	1.678	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.8580	0.000	1	109.7740	1.678	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[5]C[5]2C)	106.4430	1.339	3	106.4430	1.793	3	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	108.6710	0.000	1	108.6710	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.0160	1.546	2	109.0160	2.389	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.6230	0.000	1	109.6230	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.3190	0.000	1	107.3190	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCN)(H){2|H<1>}	H(C[5]C[5]2C)	109.3570	0.000	1	109.3570	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H){2|H<1>}	H(C[5]C[5]2C)	106.6435	1.180	2	106.6435	1.393	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCO)(H){2|H<1>}	H(C[5]C[5]2C)	108.2517	0.367	3	108.2517	0.135	3	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8830	0.000	1	107.8830	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H)	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H){2|C<3>}	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.3790	0.000	1	107.3790	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]CH)2(CCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCO)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.5260	0.000	1	107.5260	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8410	0.000	1	107.8410	0.000	1	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.7815	0.098	2	108.7815	0.010	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	108.4245	0.250	2	108.4245	0.062	2	107.8018	2.372	63	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.3290	0.484	2	107.3290	0.234	2	107.7933	2.789	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	104.9150	0.000	1	104.9150	0.000	1	107.7933	2.789	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H){2|H<1>,3|C<4>}	H(C[5]C[5]2C)	109.1955	0.235	2	109.1955	0.055	2	107.7933	2.789	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.7960	0.000	1	108.7960	0.000	1	107.7933	2.789	6	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.5590	1.290	3	108.5590	1.663	3	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H)	C[5](C[5]C[5]CH)2(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(NOO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.4705	0.691	2	106.4705	0.477	2	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H)	C[5](C[5]C[5]CH)2(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CAgHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)2(NOO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.1365	0.416	2	107.1365	0.173	2	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.3020	0.000	1	107.3020	0.000	1	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.8260	0.000	1	108.8260	0.000	1	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	C[5](C[5]C[5]CH)2(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(NCC)(H){4|H<1>}	H(C[5]C[5]2C)	113.7817	0.458	3	113.7817	0.210	3	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H){4|C<3>,4|H<1>}	H(C[5]C[5]2C)	107.5710	0.000	1	107.5710	0.000	1	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(NCC)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.9460	0.000	1	109.9460	0.000	1	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.4530	0.281	2	107.4530	0.079	2	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2C)	107.9990	0.000	1	107.9990	0.000	1	108.8698	6.547	17	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<5>,1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H){2|C<3>,5|C<4>}	H(C[5]C[5]2C)	107.8840	0.000	1	107.9853	0.127	7	108.0485	0.140	8	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(N[5]C[5]Co)(H){2|C<3>,5|C<4>}	H(C[5]C[5]2C)	108.0022	0.387	6	107.9853	0.127	7	108.0485	0.140	8	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.4910	0.000	1	108.4910	0.000	1	108.0485	0.140	8	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2C)	107.6900	1.317	4	107.6900	1.735	4	107.6900	1.735	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.8030	0.000	1	108.8030	0.000	1	108.6230	0.065	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H){4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){4|H<1>}	H(C[5]C[5]2C)	108.4430	0.000	1	108.4430	0.000	1	108.6230	0.065	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	P[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H)	C[5](P[5]C[6a]Se[5]Se)(C[5]C[5]CH)(NHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H){1|Se<1>,3|C<3>}	C[5](P[5]C[6a]Se[5]Se)(C[5]C[5]CH)(NHN)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]3)	108.5030	0.000	1	108.5030	0.000	1	108.2210	0.353	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]3)	108.0590	0.000	1	108.0590	0.000	1	108.2210	0.353	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,5]CH)(C[5]C[5]2Fe)(C[5]N[5]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]3)	108.8490	0.000	1	108.8490	0.000	1	108.2210	0.353	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	107.4730	0.000	1	107.4730	0.000	1	108.2210	0.353	4	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	H(C[5]C[5]3)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	107.8710	0.000	1	108.4165	0.595	2	108.4165	0.595	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H)	H(C[5]C[5]3)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]2H)(NOO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]3)	108.9620	0.000	1	108.4165	0.595	2	108.4165	0.595	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]3)	106.4407	0.266	3	106.4407	0.071	3	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]3)	113.0310	0.000	1	110.1265	16.872	2	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]3)	107.2220	0.000	1	110.1265	16.872	2	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	107.6613	1.003	3	107.8024	0.361	8	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]3)	107.6430	0.222	2	107.8024	0.361	8	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]3)	108.1650	0.304	2	107.8024	0.361	8	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]3)	107.8190	0.000	1	107.8024	0.361	8	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]3)	107.6375	0.135	2	107.6375	0.018	2	107.8179	2.570	15	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	107.1777	1.303	3	107.1777	1.697	3	107.1682	0.769	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	H(C[5]C[5]3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5]3)	108.2720	0.000	1	108.2720	0.000	1	107.1682	0.769	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H)	H(C[5]C[5]3)	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<4>,5|H<1>}	H(C[5]C[5]3)	106.9418	0.566	5	106.9418	0.321	5	107.1682	0.769	9	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]3)	107.2580	0.000	1	107.6520	0.310	2	107.6520	0.310	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]3)	108.0460	0.000	1	107.6520	0.310	2	107.6520	0.310	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	H(C[5]C[5]3)	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]3)	109.1816	0.803	5	109.1816	0.645	5	109.1816	0.645	5	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H)	H(C[5]C[5]2C[6])	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2C[6])	105.1030	0.000	1	105.1030	0.000	1	105.1030	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2N)	110.0143	0.300	3	109.6538	0.580	4	109.0173	1.383	7	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2N)	108.5720	0.000	1	109.6538	0.580	4	109.0173	1.383	7	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2N)	109.4440	0.000	1	109.4440	0.000	1	109.0173	1.383	7	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	H(C[5]C[5]2N)	107.9420	0.000	1	107.9420	0.000	1	109.0173	1.383	7	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	H(C[5]C[5]2N)	107.1200	0.000	1	107.1200	0.000	1	109.0173	1.383	7	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2S)	108.4310	0.000	1	108.6250	0.075	2	108.0487	1.034	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5]2S)	108.8190	0.000	1	108.6250	0.075	2	108.0487	1.034	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2S)	106.8960	0.000	1	106.8960	0.000	1	108.0487	1.034	3	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2S)	109.6220	0.000	1	109.6220	0.000	1	109.3715	0.126	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]2S)	109.1210	0.000	1	109.1210	0.000	1	109.3715	0.126	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Ga<4>,3|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]2)	108.4950	0.000	1	108.4950	0.000	1	108.6755	0.065	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	H(C[5]N[5,6]C[5]2)	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|O<2>,3|C<4>,8|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|In<4>,3|C<4>,6|H<1>}	H(C[5]N[5,6]C[5]2)	108.8560	0.000	1	108.8560	0.000	1	108.6755	0.065	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	P[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:B-3:H-1:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H)	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H)	H(C[5]C[5]P[5]B)	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H){2|C<3>,2|H<1>}	H(C[5]C[5]P[5]B)	109.2335	1.199	2	109.2335	1.437	2	109.2335	1.437	2	107.9992	2.170	211	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]2)	109.0450	0.000	1	108.5447	0.414	6	108.5447	0.414	6	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]2)	108.4446	0.665	5	108.5447	0.414	6	108.5447	0.414	6	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H)	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH){4|C<4>}	H(C[5]C[5]2C)	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi){1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]2C)	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.4220	0.000	1	106.2963	0.284	10	106.5925	0.549	15	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.2823	0.564	9	106.2963	0.284	10	106.5925	0.549	15	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.8440	0.464	2	107.1850	0.624	5	106.5925	0.549	15	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.4123	0.973	3	107.1850	0.624	5	106.5925	0.549	15	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(CN){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.1390	0.000	1	106.1390	0.000	1	106.8437	1.114	3	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(CN){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.3350	0.000	1	106.3350	0.000	1	106.8437	1.114	3	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.0570	0.000	1	108.0570	0.000	1	106.8437	1.114	3	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2C)	106.7530	0.000	1	106.7530	0.000	1	106.7530	0.000	1	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.2280	0.000	1	107.2280	0.000	1	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH){4|H<1>}	H(C[5]C[5]2C)	108.0300	0.000	1	108.0300	0.000	1	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH){4|H<1>}	H(C[5]C[5]2C)	107.7600	0.000	1	107.7600	0.000	1	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(COO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)2(COO)(OH){4|H<1>}	H(C[5]C[5]2C)	108.2320	0.208	2	108.2320	0.043	2	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2C)	104.4060	0.457	3	105.2296	1.401	12	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	105.5041	1.239	9	105.2296	1.401	12	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2C)	105.6140	0.000	1	107.3356	1.092	5	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.7660	0.471	4	107.3356	1.092	5	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.3260	0.000	1	106.3260	0.000	1	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.9540	0.000	1	106.9540	0.000	1	106.3415	2.294	24	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC){2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]2C[6])	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	106.7504	1.748	52	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)2	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H){5|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5]C)	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[3x5]C[5]C)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H){2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(COO)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[3x5]C[5]C)	105.1465	0.028	2	105.1465	0.001	2	105.1465	0.001	2	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[3x5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H)	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2	H(C[5]C[3x5]C[5]C[6])	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H){2|O<2>,4|C<4>,9|H<1>}	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[3x5]C[5]C[6])	105.0320	0.373	2	105.0320	0.139	2	105.0320	0.139	2	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(COO)2	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[4,5]C[5]C)	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]C)	105.1730	0.000	1	105.1730	0.000	1	105.9350	1.146	3	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	105.4730	0.000	1	105.4730	0.000	1	105.9350	1.146	3	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]C)	107.1590	0.000	1	107.1590	0.000	1	105.9350	1.146	3	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:S-3:C-3:	C[5]-4:	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H){1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO){1|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2C)	106.2745	0.479	2	106.2745	0.229	2	107.0855	1.439	4	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO){1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2C)	107.0430	0.000	1	107.0430	0.000	1	107.0855	1.439	4	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)2(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)2(CC[6]HH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO){1|H<1>,3|C<4>}	H(C[5]C[5]2C)	108.7500	0.000	1	108.7500	0.000	1	107.0855	1.439	4	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	107.1655	0.349	4	107.1655	0.122	4	107.1655	0.122	4	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2{2|H<1>,3|C<3>}	H(C[5]C[5]2Si)	104.7380	0.269	2	104.7380	0.072	2	104.7380	0.072	2	106.6435	2.790	20	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]2)	103.8370	0.000	1	103.8370	0.000	1	103.8370	0.000	1	106.6735	4.885	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(CH3){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	106.6735	4.885	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2C)	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	106.6735	4.885	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:3:4:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(C[5]C[5]3)	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]3)	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	106.6735	4.885	4	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3]C[5]2)	107.6060	0.000	1	107.6060	0.000	1	107.2562	1.922	5	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H){3|C<4>,5|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){3|C<4>,4|H<1>}	H(C[5]C[3]C[5]2)	108.4630	0.796	2	108.4630	0.634	2	107.2562	1.922	5	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H){3|C<4>,5|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[5]C[3]C[5]2)	105.8745	0.446	2	105.8745	0.199	2	107.2562	1.922	5	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5,5]C[3]C[5])	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H){2|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[3]C[5])	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]C)	106.4120	0.000	1	106.4120	0.000	1	107.5300	1.836	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]C)	109.3530	0.000	1	109.3530	0.000	1	107.5300	1.836	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]C)	106.5920	0.000	1	106.5920	0.000	1	107.5300	1.836	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|O<2>}	H(C[5]C[5,5]C[5]C)	107.7630	0.000	1	107.7630	0.000	1	107.5300	1.836	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H){2|C<3>}	H(C[5]C[5,5]C[5]C)	107.3665	0.101	2	107.3665	0.010	2	107.3665	0.010	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]2)	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]C)	108.4880	0.000	1	108.4880	0.000	1	108.0380	0.405	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]C)	107.5880	0.000	1	107.5880	0.000	1	108.0380	0.405	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	106.3750	0.168	2	106.3750	0.028	2	106.3750	0.028	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]C)	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.6400	0.000	2	108.6400	0.000	2	108.1482	1.437	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]C)	108.8040	0.000	1	108.8040	0.000	1	108.1482	1.437	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]C)	105.7090	0.000	1	105.7090	0.000	1	108.1482	1.437	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|O<2>}	H(C[5]C[5,6]C[5]C)	108.5480	0.037	2	108.5480	0.001	2	108.1482	1.437	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]2)	107.2510	0.000	1	106.9665	0.162	2	106.8313	0.136	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]2)	106.6820	0.000	1	106.9665	0.162	2	106.8313	0.136	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5,6]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]2)	106.5610	0.000	1	106.5610	0.000	1	106.8313	0.136	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H)	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]S)	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]Si)	102.6785	0.278	2	102.6785	0.077	2	102.6785	0.077	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	H(C[5]C[5,6]C[5]C[6])	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H){1|C<3>,3|H<1>,6|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]C[6])	107.4000	0.000	1	107.4000	0.000	1	107.4000	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2B)	107.4655	0.134	2	107.4655	0.018	2	107.4653	0.009	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	H(C[5]C[5]2B)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	H(C[5]C[5]2B)	107.4650	0.000	1	107.4650	0.000	1	107.4653	0.009	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5]2C)	106.6250	0.000	1	106.6250	0.000	1	107.5800	4.798	5	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){3|C<4>,4|H<1>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H){3|C<4>,5|H<1>}	H(C[5]C[5]2C)	105.8980	1.027	2	105.8980	1.054	2	107.5800	4.798	5	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H){3|C<4>,5|H<1>}	H(C[5]C[5]2C)	109.7395	1.497	2	109.7395	2.241	2	107.5800	4.798	5	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H){2|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5]2C)	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5]2C)	108.5190	0.000	1	108.5190	0.000	1	108.4758	0.507	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.9730	0.000	1	107.9730	0.000	1	108.4758	0.507	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.9440	0.000	1	107.9440	0.000	1	108.4758	0.507	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H){3|C<4>,3|H<1>}	H(C[5]C[5]2C)	109.4670	0.000	1	109.4670	0.000	1	108.4758	0.507	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5]H)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	H(C[5]C[5]2C)	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2C)	108.9670	0.000	1	108.9670	0.000	1	108.4627	0.344	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5]2C)	108.1170	0.000	2	108.1170	0.000	2	108.4627	0.344	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	107.6770	0.000	1	107.6770	0.000	1	108.4627	0.344	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2C)	108.9490	0.368	2	108.9490	0.135	2	108.4627	0.344	6	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.2397	0.074	3	107.2397	0.006	3	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	107.7390	0.000	1	107.7390	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	107.9220	0.000	1	107.9220	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2C)	107.7560	0.000	1	107.7560	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2C)	108.6320	0.000	1	108.6320	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5]2C)	108.6230	0.000	1	108.6230	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|H<1>,2|S<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|H<1>,2|S<2>}	H(C[5]C[5]2C)	107.5695	0.071	2	107.5695	0.005	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.4140	0.000	1	107.4140	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.3660	0.000	1	108.3660	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.3040	0.000	1	109.3040	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6000	0.000	1	108.6000	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2C)	105.3580	0.000	1	105.3580	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	106.2650	0.000	1	106.2650	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	106.0127	2.218	4	106.0127	4.920	4	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2C)	105.8840	0.000	1	105.8840	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.2340	0.000	1	106.3707	0.290	7	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.2268	0.417	6	106.3707	0.290	7	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	107.8230	0.025	2	107.8230	0.001	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.3380	0.000	1	108.3380	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2C)	108.8710	0.000	1	108.8710	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2C)	108.4130	0.000	1	108.4130	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.8000	0.000	1	107.8000	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	105.5938	0.563	4	105.5938	0.316	4	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(C[5]C[5]2C)	107.2580	0.000	1	107.2580	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)2(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	106.0760	0.000	1	106.0760	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H){4|H<1>}	H(C[5]C[5]2C)	107.2315	0.701	2	107.2315	0.491	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H){4|H<1>}	H(C[5]C[5]2C)	106.6390	0.000	1	106.6390	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.1100	0.000	1	107.1100	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	107.7110	0.000	1	107.7110	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	109.2420	0.048	2	109.2420	0.002	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	109.5070	0.000	1	109.5070	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8460	0.000	1	107.8460	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)2(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)2(CCCH)(H){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	110.3630	0.000	1	110.3630	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.3100	0.000	1	107.3100	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H)	C[5](C[5]C[5]CH)2(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.1270	0.000	1	108.1270	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.8940	0.000	1	109.8940	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	106.8365	0.193	2	106.8365	0.037	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H){3|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.7013	0.228	3	107.7013	0.052	3	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	107.3050	0.000	1	108.9554	1.307	7	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	109.2305	0.966	6	108.9554	1.307	7	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	108.2170	0.000	1	108.2170	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	H(C[5]C[5]2C)	108.4720	0.000	1	108.4720	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H){4|H<1>}	H(C[5]C[5]2C)	108.8490	0.000	1	108.8490	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(H){4|H<1>}	H(C[5]C[5]2C)	107.2260	0.000	1	107.2260	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(C[5]C[5]2C)	109.9410	0.000	1	109.9410	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	C[5](C[5]C[5]CH)2(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.5450	0.000	1	106.5450	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|H<1>,2|O<2>}	H(C[5]C[5]2C)	107.2715	0.483	2	107.2715	0.233	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	106.6200	0.000	1	106.6200	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.7880	0.000	1	107.7880	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|O<1>,2|C<4>}	H(C[5]C[5]2C)	107.8100	0.406	2	107.8100	0.165	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	107.5030	0.000	1	107.5030	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.1430	0.000	1	109.1430	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.8700	0.279	2	108.8700	0.078	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.5910	0.000	1	107.5910	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	107.6310	0.000	1	107.6310	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CFeHH)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	110.5065	1.112	2	110.5065	1.237	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){2|H<1>}	H(C[5]C[5]2C)	107.8330	0.000	1	107.8330	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(C[5]C[5]2C)	109.7870	0.000	1	109.7870	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){2|H<1>,4|C<3>}	H(C[5]C[5]2C)	108.9210	0.000	1	108.9210	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2C)	108.1133	1.212	3	108.1133	1.469	3	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	109.1270	0.000	1	109.1270	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.3070	0.000	1	107.3070	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	107.5840	0.000	1	107.5840	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.2860	0.000	1	107.2860	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.8330	0.000	1	107.8330	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){2|C<3>}	H(C[5]C[5]2C)	107.4020	0.000	1	107.4020	0.000	1	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2C)	108.3520	0.143	2	108.3520	0.020	2	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H){1|C<3>,1|H<1>}	H(C[5]C[5]2C)	108.3710	0.980	3	108.3710	0.960	3	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.7860	1.356	8	108.7860	1.840	8	107.8457	1.772	110	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5]2C)	110.6500	0.000	1	110.6500	0.000	1	108.5410	2.064	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.9810	0.372	2	107.9810	0.138	2	108.5410	2.064	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.5520	0.000	1	107.5520	0.000	1	108.5410	2.064	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H)	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H)	H(C[5]C[5]2C)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H){2|C<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	109.6750	0.000	1	109.6750	0.000	1	108.4450	3.026	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2C)	107.2150	0.000	1	107.2150	0.000	1	108.4450	3.026	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2C)	109.6475	0.025	2	109.6475	0.001	2	109.6475	0.001	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.3060	0.000	1	107.3060	0.000	1	108.6840	3.798	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2C)	110.0620	0.000	1	110.0620	0.000	1	108.6840	3.798	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H){1|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[5]3)	107.7400	0.000	1	107.7400	0.000	1	108.7350	0.746	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5]3)	109.1720	0.000	1	109.2325	0.007	2	108.7350	0.746	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5]3)	109.2930	0.000	1	109.2325	0.007	2	108.7350	0.746	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]BrH)(C[5]C[5]2C)(C[5]C[5]CH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]3)	108.5450	0.000	1	108.5450	0.000	1	108.2057	0.095	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]3)	107.9330	0.000	1	107.9330	0.000	1	108.2057	0.095	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]3)	108.1725	0.308	2	108.1725	0.095	2	108.2057	0.095	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[5]C[5]3)	106.5540	0.000	1	106.7720	0.095	2	107.8932	1.779	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5]3)	106.9900	0.000	1	106.7720	0.095	2	107.8932	1.779	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H)	H(C[5]C[5]3)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	H(C[5]C[5]3)	109.0145	0.463	2	109.0145	0.215	2	107.8932	1.779	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	H(C[5]C[5]2N)	109.2805	0.327	2	109.2805	0.107	2	109.2805	0.107	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2N[6])	107.2795	0.179	2	107.2795	0.032	2	107.1577	0.061	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	H(C[5]C[5]2N[6])	106.9140	0.000	1	106.9140	0.000	1	107.1577	0.061	3	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H)	H(C[5]C[5]2P)	C[5](C[5]B[5]HH)(C[5]C[5]CH)(PC3)(H){2|C<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H){2|C<3>,2|H<1>}	H(C[5]C[5]2P)	104.2480	0.000	1	104.2480	0.000	1	105.8585	5.187	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H)	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>}	H(C[5]C[5]2P)	107.4690	0.000	1	107.4690	0.000	1	105.8585	5.187	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H)	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H){4|H<1>}	H(C[5]C[5]2P)	106.7120	0.000	1	106.7120	0.000	1	108.7527	3.880	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H)	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]ClPt)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(PN[6]2Pt)(H){4|H<1>}	H(C[5]C[5]2P)	107.4500	0.000	1	107.4500	0.000	1	108.7527	3.880	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H)	H(C[5]C[5]2P)	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2P)	110.1180	0.000	1	110.1180	0.000	1	108.7527	3.880	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H)	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H)	H(C[5]C[5]2P)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HP)(C[5]N[5]CH)(PC[6a]2O)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2P)	110.7310	0.000	1	110.7310	0.000	1	108.7527	3.880	4	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:P[5]-4:H-1:	C[5]-4:C[5]-4:P[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H)	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H){1|B<4>,3|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]C[5]BC)(H){1|B<4>,3|C<4>,6|H<1>}	H(C[5]C[5]2P[5])	106.6640	0.000	1	106.6640	0.000	1	106.6640	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5,6]HS)(C[5]N[5,6]HH)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2S)	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H){2|H<1>,3|C<3>}	H(C[5]C[5]2S)	110.1190	0.000	1	110.1190	0.000	1	109.8810	0.113	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HS)(C[5]N[5]CH)(SC[6a]OO)(H){1|C<3>,2|H<1>}	H(C[5]C[5]2S)	109.6430	0.000	1	109.6430	0.000	1	109.8810	0.113	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2Si)	107.8140	0.211	2	107.8140	0.044	2	107.8140	0.044	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H)	H(C[5]C[5]2Si)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[5]2Si)	107.9505	0.204	2	107.9505	0.042	2	107.9505	0.042	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	H(C[5]C[5]2Si)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2Si)	106.5960	1.601	2	106.5960	2.563	2	106.5960	2.563	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(C[5]C[5]N[5]C)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,3|H<1>}	H(C[5]C[5]N[5]C)	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]AlC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	108.7346	0.932	12	108.7346	0.868	12	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]CoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	109.5490	0.000	1	109.5490	0.000	1	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]FeC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	109.1223	0.975	24	109.1223	0.951	24	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]MgC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	109.9775	0.428	2	109.9775	0.183	2	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]MnC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	109.5933	0.220	9	109.5933	0.048	9	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]MoC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	109.6515	0.254	4	109.6515	0.064	4	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	110.0157	0.068	3	110.0157	0.005	3	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H)	H(C[5]C[5]2N[5])	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H){1|C<5>,2|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]ZrC)(C[5]C[5]HH)(H){1|C<5>,2|C<4>,6|H<1>}	H(C[5]C[5]2N[5])	109.6840	0.154	2	109.6840	0.024	2	109.2564	0.728	57	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H)	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H)	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H){6|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(P[5]C[5]2Pt)(C[5]C[5]HH)(H){6|C<4>,6|H<1>}	H(C[5]C[5]2P[5])	107.3500	0.802	2	107.3500	0.643	2	107.8742	0.343	10	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H)	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(P[5]C[5]RhC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2P[5])	108.0307	0.588	6	108.0307	0.345	6	107.8742	0.343	10	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:P[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H)	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5]P[5]H)(P[5]C[5]RuC)(C[5]C[5]HH)(H){3|C<4>,6|H<1>}	H(C[5]C[5]2P[5])	107.9290	0.127	2	107.9290	0.016	2	107.8742	0.343	10	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	H(C[5]Si[5]C[5]Si)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]Si[5]C[5]Si)	105.1575	0.527	2	105.1575	0.278	2	105.1575	0.278	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	107.5830	0.000	1	107.5830	0.000	1	107.6975	0.026	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2C[6])	107.8120	0.000	1	107.8120	0.000	1	107.6975	0.026	2	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H)	H(C[5]N[5,5]C[5]C)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H){1|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]C)	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	108.1344	2.022	278	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H){1|H<1>,2|C<4>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]C)	105.7720	0.000	1	105.7720	0.000	1	105.8174	0.006	7	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H){1|H<1>,2|C<4>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]C)	105.8250	0.079	6	105.8250	0.006	6	105.8174	0.006	7	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H){2|H<1>,5|C<4>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[3,5]C[5]2)	104.3875	0.151	2	104.3875	0.023	2	105.6033	4.446	3	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]2)	108.0350	0.000	1	108.0350	0.000	1	105.6033	4.446	3	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3]C[5]2)	108.6287	0.588	4	108.6287	0.346	4	108.6287	0.346	4	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H){2|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH){4|H<1>,5|C<4>}	H(C[5]C[3]C[5]2)	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	105.7195	0.367	4	105.7195	0.134	4	105.8583	0.127	6	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.1360	0.024	2	106.1360	0.001	2	105.8583	0.127	6	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]C)	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H)	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H){3|C<4>,4|H<1>}	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	H(C[5]C[5]2C)	107.2513	0.082	3	107.2513	0.007	3	107.2513	0.007	3	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH){3|H<1>,4|C<4>}	H(C[5]C[5]2C)	105.2440	0.238	2	105.2440	0.056	2	105.2440	0.056	2	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CN){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){2|C<4>,2|H<1>}	H(C[5]C[5]2C)	105.8750	0.000	1	105.8750	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.2520	0.171	2	106.1053	0.079	3	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]2C)	105.8120	0.000	1	106.1053	0.079	3	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	106.1277	0.151	3	106.1277	0.023	3	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	105.6945	1.337	2	105.6945	1.788	2	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	107.5170	0.000	1	107.5170	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2C)	105.9690	0.000	1	105.8137	0.018	3	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	105.7360	0.021	2	105.8137	0.018	3	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	H(C[5]C[5]2C)	108.2300	0.000	1	108.2300	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.8130	0.091	2	107.8130	0.008	2	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.3400	0.000	1	108.3400	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.9110	0.000	1	108.9110	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi){4|H<1>}	H(C[5]C[5]2C)	104.4240	0.000	1	104.4240	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(OH){4|H<1>}	H(C[5]C[5]2C)	107.3690	0.585	4	107.3690	0.342	4	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(C[5]C[5]2C)	108.0990	0.000	1	108.0990	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCCH)(OH){4|H<1>}	H(C[5]C[5]2C)	107.6090	0.000	1	107.6090	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	104.2670	0.000	1	104.2670	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	104.3555	0.114	4	104.3555	0.013	4	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){4|H<1>}	H(C[5]C[5]2C)	108.1857	0.342	3	108.1857	0.117	3	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC){1|O<1>,2|H<1>}	H(C[5]C[5]2C)	106.2140	0.000	1	106.2140	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCCH)(OH){4|H<1>}	H(C[5]C[5]2C)	109.3080	0.000	1	109.3080	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(OH){4|H<1>}	H(C[5]C[5]2C)	108.8238	0.659	4	108.6740	0.437	5	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.0750	0.000	1	108.6740	0.437	5	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2C)	106.6670	0.000	1	106.5513	0.228	4	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.5127	0.577	3	106.5513	0.228	4	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	106.3760	0.000	1	106.3760	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	H(C[5]C[5]2C)	105.0520	0.000	1	105.0520	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H){3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	99.6176	0.000	1	99.6176	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.2490	0.000	1	108.2490	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	107.3350	0.000	1	107.3350	0.000	1	106.6859	3.179	49	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:S-4:C-2:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)(CN)	H(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)(CN){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	108.0520	0.433	2	108.0520	0.187	2	108.0520	0.187	2	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H)	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(C[5]C[5]2C)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5]2C)	106.9330	1.513	2	106.9330	2.290	2	106.9330	2.290	2	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]3)	107.1550	0.000	1	107.1550	0.000	1	107.7435	0.693	2	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH)	H(C[5]C[5]3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]3)	108.3320	0.000	1	108.3320	0.000	1	107.7435	0.693	2	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5]2C[6])	105.7330	0.116	2	105.7330	0.013	2	105.7330	0.013	2	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2C[6])	103.7970	0.000	1	103.7970	0.000	1	103.7970	0.000	1	106.6223	2.588	86	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	106.6250	0.000	1	106.6250	0.000	1	106.6250	0.000	1	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(CHO)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2C)	106.1540	0.000	1	106.1540	0.000	1	104.8620	3.339	2	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(CCO)	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H){1|H<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(CCO){3|C<4>,4|H<1>}	H(C[5]C[5]2C)	103.5700	0.000	1	103.5700	0.000	1	104.8620	3.339	2	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]CH)(CH3)(CCO)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H){2|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]CH)(CH3)(CCO){2|C<4>,4|H<1>}	H(C[5]C[5]2C)	105.4890	0.000	1	105.4890	0.000	1	106.2810	1.255	2	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2C)	107.0730	0.000	1	107.0730	0.000	1	106.2810	1.255	2	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH){2|H<1>}	H(C[5]C[5]2C)	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH){4|H<1>}	H(C[5]C[5]2C)	108.0280	0.000	1	108.0280	0.000	1	107.7260	0.167	6	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO){2|H<1>,3|C<3>}	H(C[5]C[5]2C)	108.0410	0.000	1	108.0410	0.000	1	107.7260	0.167	6	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	H(C[5]C[5]2C)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.5718	0.428	4	107.5718	0.183	4	107.7260	0.167	6	107.1346	2.718	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]C)	106.1075	1.866	2	106.1075	3.482	2	106.1075	3.482	2	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(C[5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]2)	107.0705	1.351	2	107.0705	1.826	2	107.0705	1.826	2	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3){2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]C)	106.5620	0.109	2	106.5620	0.012	2	106.5620	0.012	2	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3)	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3){1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]C)	105.1000	0.000	1	105.1000	0.000	1	105.1402	0.316	4	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	104.9040	0.000	1	105.4175	0.527	2	105.1402	0.316	4	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	105.9310	0.000	1	105.4175	0.527	2	105.1402	0.316	4	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]C)	104.6260	0.000	1	104.6260	0.000	1	105.1402	0.316	4	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3){3|H<1>}	H(C[5]C[5]2C)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2C)	105.2235	0.170	2	105.2235	0.029	2	105.2235	0.029	2	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]2C)	107.6660	0.000	1	107.6660	0.000	1	107.6660	0.000	1	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2C)	106.5650	0.000	1	106.5650	0.000	1	106.5650	0.000	1	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.0280	0.000	1	106.0280	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,3|H<1>}	H(C[5]C[5]2C)	106.0225	2.277	4	106.0225	5.185	4	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2C)	105.9260	0.000	1	105.9260	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.6830	0.000	1	107.6830	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.4350	0.000	1	107.4350	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(C[5]C[5]2C)	103.2470	0.000	2	103.2470	0.000	2	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){4|H<1>}	H(C[5]C[5]2C)	106.9950	0.000	1	106.9950	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[5]CH)2(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)2(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	106.6000	0.000	1	106.6000	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<2>,3|H<1>}	H(C[5]C[5]2C)	107.1960	0.000	1	107.0115	0.068	2	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<3>,3|H<1>}	H(C[5]C[5]2C)	106.8270	0.000	1	107.0115	0.068	2	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2{4|H<1>}	H(C[5]C[5]2C)	109.1127	1.981	3	109.1127	3.923	3	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5]2C)	105.4400	0.000	1	105.4400	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.6260	0.000	1	107.6260	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3){1|O<2>,3|H<1>}	H(C[5]C[5]2C)	107.2810	0.000	1	107.2810	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{2|C<4>}	H(C[5]C[5]2C)	106.3620	0.034	2	106.3620	0.001	2	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)2(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2C)	106.1090	0.000	1	106.1090	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)2(CC[6]HH)(H)	C[5](C[5]C[5]CH)2(CH3)2	H(C[5]C[5]2C)	C[5](C[5]C[5]CC)2(CC[6]HH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2(CH3)2{2|C<3>,2|H<1>}	H(C[5]C[5]2C)	108.6890	0.000	1	108.6890	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3)	H(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,2|H<1>}	H(C[5]C[5]2C)	107.4770	0.000	1	107.4770	0.000	1	106.7183	3.224	25	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5]2C[6])	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	107.8610	0.536	2	107.8610	0.287	2	108.4993	1.366	3	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(C[5]C[5]2N)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(C[5]C[5]2N)	109.7760	0.000	1	109.7760	0.000	1	108.4993	1.366	3	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3)	H(C[5]C[5]2C[6])	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3){4|C<4>,5|H<1>}	H(C[5]C[5]2C[6])	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	106.7088	2.661	45	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:4:1:	5:4:4:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H)	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,2|O<1>}	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	H(C[5]C[4,5]C[5]C)	113.7010	0.000	1	113.7010	0.000	1	113.7010	0.000	1	113.7010	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:5:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Si-5:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SiO3V)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiO3V)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2Si)	108.3943	0.157	3	108.3943	0.025	3	108.3943	0.025	3	108.3943	0.025	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:6:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-6:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2S)	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	4:4:6:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:S-6:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H){1|C<4>,2|H<1>}	H(C[5]C[5]2S)	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:3:4:1:	4:4:2:1:	4:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	H(C[5]C[3x3,4,3x5,14x6]C[5,6a]C[5])	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|C<5>,2|C<3>,5|B<6>,7|H<1>}	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	H(C[5]C[3x3,4,3x5,14x6]C[5,6a]C[5])	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:3:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]N[5]COV)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	C[5](C[5]N[5]COV)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,1|V<8>}	H(C[5]C[5]2H)	111.0865	0.059	2	111.0865	0.003	2	111.0865	0.003	2	111.0865	0.003	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2{1|B<5>,4|B<6>}	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	110.8020	0.013	2	110.8020	0.000	2	109.6440	1.806	4	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2{5|B<6>}	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	108.4860	0.233	2	108.4860	0.054	2	109.6440	1.806	4	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3,3x5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6]Ni)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,3x5,3x6]HH)2(H)2	H(C[5]C[3,3x5,3x6]C[5]H)	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6]Ni)(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,4|B<6>,4|H<1>}	C[5](C[5]C[3,3x5,3x6]HH)2(H)2{1|Ni<7>,4|B<6>}	H(C[5]C[3,3x5,3x6]C[5]H)	110.9133	0.087	4	110.9133	0.008	4	110.9133	0.008	4	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,5x6]B[3x3,5,5x6]C[4,4,5,4x6]Ni)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,5x6]B[3x3,5,5x6]C[4,4,5,4x6]Ni)(C[5]C[5]HH)(H)2{2|B<5>,3|B<6>,4|H<1>}	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2{1|Ni<8>,2|B<5>,2|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	110.8685	0.047	2	110.8685	0.002	2	110.8224	0.032	14	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Co)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Co)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|Co<11>,4|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	110.6863	0.036	8	110.6863	0.001	8	110.8224	0.032	14	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Ru)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Ru)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|Ru<12>,4|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	111.0715	0.054	4	111.0715	0.003	4	110.8224	0.032	14	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,3x5,11x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2	H(C[5]C[3x3,3x5,11x6]C[5]H)	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,3|B<6>,5|H<1>}	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2{1|B<7>,2|B<5>,2|B<6>}	H(C[5]C[3x3,3x5,11x6]C[5]H)	110.5920	0.004	2	110.5920	0.000	2	110.5920	0.000	2	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,3x5,4x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x3,3x5,4x6]HH)2(H)2	H(C[5]C[3x3,3x5,4x6]C[5]H)	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2{1|Sn<6>,1|B<7>,4|B<6>,5|H<1>}	C[5](C[5]C[3x3,3x5,4x6]HH)2(H)2{5|B<6>}	H(C[5]C[3x3,3x5,4x6]C[5]H)	110.3708	0.250	4	110.3708	0.063	4	110.3708	0.063	4	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,4,5,5,9x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3x3,4,5,5,9x6]HH)(H)2{1|B<5>,4|B<6>}	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	110.8245	0.005	2	110.8245	0.000	2	110.8245	0.000	2	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,4x5,5x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x3,4x5,5x6]HH)2(H)2	H(C[5]C[3x3,4x5,5x6]C[5]H)	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,4|B<6>,5|H<1>}	C[5](C[5]C[3x3,4x5,5x6]HH)2(H)2{5|B<6>}	H(C[5]C[3x3,4x5,5x6]C[5]H)	110.3983	0.050	4	110.3983	0.002	4	110.3983	0.002	4	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,5,5,8x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2	H(C[5]C[3x3,5,5,8x6]C[5]H)	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2{2|B<5>,4|B<6>,5|H<1>}	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2{1|B<7>,2|B<5>,2|B<6>}	H(C[5]C[3x3,5,5,8x6]C[5]H)	110.5955	0.042	2	110.5955	0.002	2	110.5955	0.002	2	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,5x5,13x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x3,5x5,13x6]HH)2(H)2	H(C[5]C[3x3,5x5,13x6]C[5]H)	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	C[5](C[5]C[3x3,5x5,13x6]HH)2(H)2{5|B<6>}	H(C[5]C[3x3,5x5,13x6]C[5]H)	110.4995	0.026	2	110.4995	0.001	2	110.4995	0.001	2	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[4,4,5,4x6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[4,4,5,4x6]B[3,3,4,4,5,5x6]C[3,4,5,3x6]B[3,4,3x6]Ni)(C[5]C[5]HH)(H)2	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2	H(C[5]C[4,4,5,4x6]C[5]H)	C[5](C[4,4,5,4x6]B[3,3,4,4,5,5x6]C[3,4,5,3x6]B[3,4,3x6]Ni)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2{1|Ni<8>,2|B<5>,2|B<6>}	H(C[5]C[4,4,5,4x6]C[5]H)	110.7315	0.036	2	110.7315	0.001	2	110.7315	0.001	2	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5,6]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]B[6]Cr2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[6]Cr2)(C[5]C[5]HH)(H)2{2|B<5>,3|H<1>}	C[5](C[5]C[5,6]HH)2(H)2{2|Cr<11>,2|B<5>}	H(C[5]C[5,6]C[5]H)	112.7127	7.317	4	112.7127	53.533	4	112.7127	53.533	4	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]Li2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]Li2H)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)2(H)2{1|Li<3>,1|Li<4>,1|H<2>,2|H<1>}	H(C[5]C[5]2H)	110.3733	0.262	6	110.3733	0.069	6	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ce<12>,2|H<1>}	H(C[5]C[5]2H)	110.9885	0.021	2	110.9885	0.000	2	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HHU)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HHU)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<14>,2|H<1>}	H(C[5]C[5]2H)	110.7600	0.057	2	110.7600	0.003	2	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]HHY)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]HHY)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<13>,2|H<1>}	H(C[5]C[5]2H)	110.7995	0.078	2	110.7995	0.006	2	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<15>,2|H<1>}	H(C[5]C[5]2H)	110.5755	0.032	2	110.9070	0.151	4	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<19>,2|H<1>}	H(C[5]C[5]2H)	111.2385	0.114	2	110.9070	0.151	4	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<14>,2|H<1>}	H(C[5]C[5]2H)	111.3990	0.023	2	110.8552	0.403	4	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<8>,2|H<1>}	H(C[5]C[5]2H)	110.3115	0.159	2	110.8552	0.403	4	110.7193	0.164	20	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]ScHH)(C[5]N[5]HH)(H)2	C[5](N[5]C[5]ScSi)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]C[5]ScHH)(C[5]N[5]HH)(H)2{1|Si<5>,1|H<1>}	C[5](N[5]C[5]ScSi)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	110.9275	0.059	2	110.9275	0.003	2	110.9275	0.003	2	110.7636	2.948	66	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	5:4:1:1:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2{2|H<1>}	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	110.0455	0.216	4	110.0455	0.047	4	110.0455	0.047	4	110.5605	0.081	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	5:4:1:1:	4:	Si[5]-5:C[5]-4:H-1:H-1:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]N[5]DyCC)(C[5]Si[5]HH)(H)2	C[5](Si[5]N[5]DyCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]DyCC)(C[5]Si[5]HH)(H)2{2|C<4>}	C[5](Si[5]N[5]DyCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	110.6181	0.288	11	110.6181	0.083	11	110.6043	0.060	47	110.5605	0.081	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	5:4:1:1:	4:	Si[5]-5:C[5]-4:H-1:H-1:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]N[5]EuCC)(C[5]Si[5]HH)(H)2	C[5](Si[5]N[5]EuCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]EuCC)(C[5]Si[5]HH)(H)2{2|C<4>}	C[5](Si[5]N[5]EuCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	110.6013	0.228	12	110.6013	0.052	12	110.6043	0.060	47	110.5605	0.081	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	5:4:1:1:	4:	Si[5]-5:C[5]-4:H-1:H-1:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]N[5]HoCC)(C[5]Si[5]HH)(H)2	C[5](Si[5]N[5]HoCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]HoCC)(C[5]Si[5]HH)(H)2{2|C<4>}	C[5](Si[5]N[5]HoCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	110.6585	0.270	12	110.6585	0.073	12	110.6043	0.060	47	110.5605	0.081	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:1:1:	5:4:1:1:	4:	Si[5]-5:C[5]-4:H-1:H-1:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5](Si[5]N[5]TbCC)(C[5]Si[5]HH)(H)2	C[5](Si[5]N[5]TbCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]TbCC)(C[5]Si[5]HH)(H)2{2|C<4>}	C[5](Si[5]N[5]TbCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	110.5406	0.211	12	110.5406	0.045	12	110.6043	0.060	47	110.5605	0.081	51	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:4:1:	4:3:4:1:	4:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[5]-4:N[4,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H)	H(C[5]S[4,5,5]C[5]2)	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H){1|C<5>,1|C<6>,1|O<2>,3|H<1>,3|O<1>,4|C<4>}	H(C[5]S[4,5,5]C[5]2)	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	5:4:4:1:	4:4:4:1:	4:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H)	H(C[5]S[4,5,5]C[5]2)	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]S[4,5,5]C[5]2)	111.4640	0.000	1	111.4640	0.000	1	111.4640	0.000	1	111.4640	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	3:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.5570	0.028	2	110.5570	0.001	2	110.5570	0.001	2	110.5570	0.001	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:3:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.2150	0.030	2	110.2150	0.001	2	110.2150	0.001	2	110.2150	0.001	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:4:1:1:	4:	C[3x3,4x5,12x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(C[5]C[5]HH)(H)2	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2	H(C[5]C[3x3,4x5,12x6]C[5]H)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(C[5]C[5]HH)(H)2{5|B<6>,5|H<1>}	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2{1|Ir<9>,5|B<6>}	H(C[5]C[3x3,4x5,12x6]C[5]H)	110.2650	0.113	4	110.2650	0.013	4	110.2650	0.013	4	110.4597	0.043	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2	H(C[5]C[5x3,4x5,11x6]C[5]H)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2{1|Ir<9>,5|B<6>}	H(C[5]C[5x3,4x5,11x6]C[5]H)	110.6650	0.027	4	110.6650	0.001	4	110.6650	0.001	4	110.4597	0.043	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|B<3>,5|B<6>,5|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2{6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.2830	0.041	2	110.4493	0.038	4	110.4493	0.038	4	110.4597	0.043	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{5|B<6>,6|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2{6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.6155	0.018	2	110.4493	0.038	4	110.4493	0.038	4	110.4597	0.043	12	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:4:3:1:	4:	B[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]CH)(H)2	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H)	H(C[5]B[5x3,6x5,20x6]C[5]H)	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]CH)(H)2{1|C<6>,1|N<3>,4|B<6>,5|H<1>}	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H){1|C<6>,5|B<6>}	H(C[5]B[5x3,6x5,20x6]C[5]H)	110.8550	0.041	2	110.8550	0.002	2	110.8550	0.002	2	110.5397	0.051	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:4:3:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.4650	0.048	2	110.4650	0.002	2	110.4136	0.006	5	110.5397	0.051	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:1:1:	4:4:3:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{2|C<3>,5|B<6>,6|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.3793	0.086	3	110.3793	0.007	3	110.4136	0.006	5	110.5397	0.051	7	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:2:1:	4:4:1:1:	4:	C[5x3,5x5,20x6]-6:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5x3,5x5,20x6]C[5]O[5])	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|B<6>,8|H<1>}	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[5]C[5x3,5x5,20x6]C[5]O[5])	107.8455	0.902	2	107.8455	0.813	2	107.8455	0.813	2	107.8455	0.813	2	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:3:1:	4:4:3:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H)	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H)	H(C[5]C[5x3,6x5,20x6]C[5]N)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H){1|C<4>,5|B<6>,5|H<1>}	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H){1|C<6>,5|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]N)	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:4:1:	3:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	106.2840	2.167	3	106.2840	4.694	3	106.2840	4.694	3	106.2840	4.694	3	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:4:1:	4:3:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	107.6737	0.311	4	107.6737	0.097	4	107.7486	0.101	5	107.5775	0.256	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:4:1:	4:3:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|O<1>,4|H<1>,5|B<6>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2{6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	108.0480	0.000	1	108.0480	0.000	1	107.7486	0.101	5	107.5775	0.256	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:4:1:	4:3:1:1:	4:	Ge[3x5]-6:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2	H(C[5]Ge[3x5]C[5]C)	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H){1|O<1>,6|C<3>}	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2{2|N<3>,2|O<2>}	H(C[5]Ge[3x5]C[5]C)	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	107.5775	0.256	6	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H)	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H){1|C<3>,1|O<1>,4|H<1>,5|B<6>}	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2{2|C<3>,6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596
474	474	951	0:SP3_SP-NON_SP3	C[5]	C[5]	H	6:4:4:1:	4:4:3:1:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	110.5370	1.749	150005	110.6085	2.963	216596